O=C([O-])C1(CC(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CCCC1	REAL300001022425	0	38	-2.0	-115.47	337.47	6.82	-108.65
O=C([O-])C1(CC(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CCCC1	REAL300001022425	1	38	-2.0	-115.48	337.53	6.81	-108.67
CC(C)(CC(=O)[O-])CC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300001022426	0	37	-2.0	-88.33	325.42	5.50	-82.83
CC(C)(CC(=O)[O-])CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300001022426	1	37	-2.0	-88.35	325.48	5.50	-82.85
O=C([O-])C1CC=CCC1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300001022427	0	36	-2.0	-118.65	332.22	6.22	-112.43
O=C([O-])C1CC=CCC1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300001022427	1	36	-2.0	-118.57	332.28	6.21	-112.36
O=C([O-])CCC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300001022428	0	28	-2.0	-84.65	281.57	3.90	-80.75
O=C([O-])CCC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300001022428	1	28	-2.0	-84.60	281.63	3.89	-80.71
O=C([O-])CSCC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300001022429	0	29	-2.0	-89.75	304.42	4.47	-85.28
O=C([O-])CSCC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300001022429	1	29	-2.0	-89.73	304.48	4.46	-85.27
CCC(CC)(CC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300001022430	0	40	-2.0	-97.27	344.27	6.51	-90.76
CCC(CC)(CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300001022430	1	40	-2.0	-100.30	344.62	6.49	-93.81
CC(C)(CC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300001022431	0	34	-2.0	-84.10	312.23	5.00	-79.10
CC(C)(CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300001022431	1	34	-2.0	-84.10	312.30	4.99	-79.11
O=C([O-])[C@H]1CC=CC[C@H]1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300001022432	0	36	-2.0	-88.09	324.80	6.12	-81.97
O=C([O-])[C@H]1CC=CC[C@H]1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300001022432	1	36	-2.0	-89.91	325.00	6.10	-83.81
O=C([O-])C1CC=CCC1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300001022433	0	36	-2.0	-118.65	332.22	6.22	-112.43
O=C([O-])C1CC=CCC1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300001022433	1	36	-2.0	-118.57	332.28	6.21	-112.36
O=C([O-])C1CCC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)O1	REAL300001022434	0	33	-2.0	-110.99	317.95	4.89	-106.10
O=C([O-])C1CCC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)O1	REAL300001022434	1	33	-2.0	-93.73	318.02	4.88	-88.85
O=C([O-])CC1(CC(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CCC1	REAL300001022435	0	38	-2.0	-91.28	338.02	6.16	-85.12
O=C([O-])CC1(CC(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CCC1	REAL300001022435	1	38	-2.0	-91.23	338.08	6.15	-85.08
CC(OC(C)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300001022436	0	35	-2.0	-93.28	336.04	5.29	-87.99
CC(OC(C)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300001022436	1	35	-2.0	-93.25	336.10	5.28	-87.97
O=C([O-])C1(CC(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CCOC1	REAL300001022437	0	36	-2.0	-99.45	325.17	4.30	-95.15
O=C([O-])C1(CC(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CCOC1	REAL300001022437	1	36	-2.0	-99.42	325.23	4.29	-95.13
O=C([O-])C1(CC(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CCC1	REAL300001022438	0	35	-2.0	-119.74	320.64	6.32	-113.42
O=C([O-])C1(CC(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CCC1	REAL300001022438	1	35	-2.0	-119.62	320.70	6.31	-113.31
O=C([O-])C1=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CCCC1	REAL300001022439	0	36	-2.0	-131.32	329.14	7.40	-123.92
O=C([O-])C1=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CCCC1	REAL300001022439	1	36	-2.0	-131.28	329.21	7.39	-123.89
CC(CC(=O)[O-])CC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300001022440	0	34	-2.0	-90.68	315.67	5.12	-85.56
CC(CC(=O)[O-])CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300001022440	1	34	-2.0	-90.71	315.73	5.12	-85.59
O=C([O-])[C@H]1CCCC[C@H]1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300001022441	0	38	-2.0	-124.60	331.86	6.08	-118.52
O=C([O-])[C@H]1CCCC[C@H]1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300001022441	1	38	-2.0	-124.53	331.90	6.07	-118.46
O=C([O-])C1CC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C1	REAL300001022442	0	32	-2.0	-90.11	307.79	5.06	-85.05
O=C([O-])C1CC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C1	REAL300001022442	1	32	-2.0	-90.06	307.85	5.05	-85.01
CC1(C)C(C(=O)[O-])C1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300001022443	0	35	-2.0	-89.52	325.83	5.76	-83.76
CC1(C)C(C(=O)[O-])C1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300001022443	1	35	-2.0	-89.41	325.89	5.76	-83.65
O=C([O-])C1CCCC1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300001022444	0	35	-2.0	-119.68	319.34	6.06	-113.62
O=C([O-])C1CCCC1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300001022444	1	35	-2.0	-119.63	319.40	6.05	-113.58
CCC(C)(CC(=O)[O-])C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300001022445	0	37	-2.0	-83.45	326.64	5.31	-78.14
CCC(C)(CC(=O)[O-])C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300001022445	1	37	-2.0	-83.44	326.70	5.31	-78.13
O=C([O-])[C@H]1CCC[C@@H](C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C1	REAL300001022446	0	38	-2.0	-112.12	341.80	6.29	-105.83
O=C([O-])[C@H]1CCC[C@@H](C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C1	REAL300001022446	1	38	-2.0	-112.04	341.87	6.29	-105.75
CC(C)CC(CC(=O)[O-])C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300001022447	0	40	-2.0	-98.73	350.18	6.79	-91.94
CC(C)CC(CC(=O)[O-])C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300001022447	1	40	-2.0	-92.62	350.51	6.77	-85.85
O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300001022448	0	29	-2.0	-101.02	291.32	4.52	-96.50
O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300001022448	1	29	-2.0	-101.01	291.39	4.51	-96.50
CC(C)(OCC(=O)[O-])C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300001022449	0	35	-2.0	-95.29	326.97	5.01	-90.28
CC(C)(OCC(=O)[O-])C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300001022449	1	35	-2.0	-95.34	327.03	5.00	-90.34
O=C([O-])CCCCCCC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300001022450	0	40	-2.0	-88.47	367.56	7.02	-81.45
O=C([O-])CCCCCCC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300001022450	1	40	-2.0	-88.50	367.62	7.02	-81.48
O=C([O-])CCCCCC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300001022451	0	37	-2.0	-91.27	346.06	6.24	-85.03
O=C([O-])CCCCCC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300001022451	1	37	-2.0	-91.31	346.13	6.23	-85.08
O=C([O-])CC1(CC(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CC1	REAL300001022452	0	35	-2.0	-93.41	328.42	5.83	-87.58
O=C([O-])CC1(CC(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CC1	REAL300001022452	1	35	-2.0	-93.39	328.48	5.82	-87.57
O=C([O-])C1(CC(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CC1	REAL300001022453	0	32	-2.0	-122.23	305.98	5.95	-116.28
O=C([O-])C1(CC(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CC1	REAL300001022453	1	32	-2.0	-122.21	306.04	5.94	-116.27
O=C([O-])C1CCC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)S1	REAL300001022454	0	33	-2.0	-101.56	325.62	5.49	-96.07
O=C([O-])C1CCC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)S1	REAL300001022454	1	33	-2.0	-101.53	325.68	5.48	-96.05
O=C([O-])C1=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CCC1	REAL300001022455	0	33	-2.0	-114.48	317.81	5.49	-108.99
O=C([O-])C1=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CCC1	REAL300001022455	1	33	-2.0	-114.40	317.87	5.48	-108.92
O=C([O-])C12CC1(C(=O)NC1=CC(Br)=CC(C3=N[N-]N=N3)=C1)CCC2	REAL300001022456	0	36	-2.0	-124.42	330.10	6.39	-118.03
O=C([O-])C12CC1(C(=O)NC1=CC(Br)=CC(C3=NN=N[N-]3)=C1)CCC2	REAL300001022456	1	36	-2.0	-124.39	330.17	6.38	-118.01
O=C([O-])CCCCC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300001022457	0	34	-2.0	-87.58	324.57	5.46	-82.12
O=C([O-])CCCCC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300001022457	1	34	-2.0	-87.52	324.63	5.45	-82.07
O=C([O-])C1=CC(F)=C(F)C=C1C(=O)NCC1CCCC(F)(F)C(=O)[N-]1	REAL300001031715	1	37	-2.0	-100.23	327.09	3.85	-96.38
O=C([O-])C1(CC(=O)NCC2CCCC(F)(F)C(=O)[N-]2)CC(F)(F)C1(F)F	REAL300001031734	0	40	-2.0	-100.02	340.43	3.52	-96.50
O=C([O-])C1(CC(=O)NC2=CC(C(F)(F)F)=C(Cl)C=C2[O-])CCCCCC1	REAL300001038754	1	43	-2.0	-109.93	345.95	8.02	-101.91
O=C([O-])C1(CC(=O)NC2=CC(C(F)(F)F)=C(Cl)C=C2[O-])CCCC1	REAL300001038755	1	37	-2.0	-105.41	327.87	7.26	-98.15
CC(C)(CC(=O)[O-])CC(=O)NC1=CC(C(F)(F)F)=C(Cl)C=C1[O-]	REAL300001038756	1	36	-2.0	-86.44	316.63	5.95	-80.49
O=C([O-])C(CC(=O)NC1=CC(C(F)(F)F)=C(Cl)C=C1[O-])C1=CC=CC=C1	REAL300001038757	1	37	-2.0	-104.39	344.68	8.51	-95.88
O=C([O-])C1(CC(=O)NC2=CC(C(F)(F)F)=C(Cl)C=C2[O-])CCCCC1	REAL300001038758	1	40	-2.0	-104.98	338.11	7.62	-97.36
O=C([O-])C1CC=CCC1C(=O)NC1=CC(C(F)(F)F)=C(Cl)C=C1[O-]	REAL300001038759	1	35	-2.0	-106.38	322.78	6.65	-99.73
O=C([O-])CCC(=O)NC1=CC(C(F)(F)F)=C(Cl)C=C1[O-]	REAL300001038760	1	27	-2.0	-85.60	271.97	4.36	-81.24
O=C([O-])CC1(CC(=O)NC2=CC(C(F)(F)F)=C(Cl)C=C2[O-])CCCCC1	REAL300001038761	1	43	-2.0	-96.38	350.51	7.56	-88.82
O=C([O-])CC1(CC(=O)NC2=CC(C(F)(F)F)=C(Cl)C=C2[O-])CCCC1	REAL300001038762	1	40	-2.0	-94.10	340.53	7.12	-86.98
O=C([O-])CSCC(=O)NC1=CC(C(F)(F)F)=C(Cl)C=C1[O-]	REAL300001038763	1	28	-2.0	-87.63	294.82	4.92	-82.71
CCC(CC)(CC(=O)NC1=CC(C(F)(F)F)=C(Cl)C=C1[O-])C(=O)[O-]	REAL300001038764	1	39	-2.0	-103.85	331.07	6.95	-96.90
CC(C)(CC(=O)NC1=CC(C(F)(F)F)=C(Cl)C=C1[O-])C(=O)[O-]	REAL300001038765	1	33	-2.0	-84.66	303.21	5.45	-79.21
O=C([O-])[C@H]1CC=CC[C@H]1C(=O)NC1=CC(C(F)(F)F)=C(Cl)C=C1[O-]	REAL300001038766	1	35	-2.0	-98.82	316.29	6.47	-92.35
O=C([O-])C1CC=CCC1C(=O)NC1=CC(C(F)(F)F)=C(Cl)C=C1[O-]	REAL300001038767	1	35	-2.0	-106.38	322.78	6.65	-99.73
O=C([O-])C1CCC(C(=O)NC2=CC(C(F)(F)F)=C(Cl)C=C2[O-])O1	REAL300001038768	1	32	-2.0	-92.56	308.33	5.33	-87.23
O=C([O-])C1C2C=CC(CC2)C1C(=O)NC1=CC(C(F)(F)F)=C(Cl)C=C1[O-]	REAL300001038769	1	39	-2.0	-95.86	338.64	7.39	-88.47
O=C([O-])CC1(CC(=O)NC2=CC(C(F)(F)F)=C(Cl)C=C2[O-])CCC1	REAL300001038770	1	37	-2.0	-93.40	328.33	6.62	-86.78
CC(OC(C)C(=O)NC1=CC(C(F)(F)F)=C(Cl)C=C1[O-])C(=O)[O-]	REAL300001038771	1	34	-2.0	-91.94	326.47	5.71	-86.23
O=C([O-])C1(CC(=O)NC2=CC(C(F)(F)F)=C(Cl)C=C2[O-])CCOC1	REAL300001038772	1	35	-2.0	-101.55	320.88	4.44	-97.11
O=C([O-])C1(CC(=O)NC2=CC(C(F)(F)F)=C(Cl)C=C2[O-])CCC1	REAL300001038773	1	34	-2.0	-105.92	311.30	6.75	-99.17
CC(SC(C)C(=O)NC1=CC(C(F)(F)F)=C(Cl)C=C1[O-])C(=O)[O-]	REAL300001038774	1	34	-2.0	-88.95	331.39	6.07	-82.88
O=C([O-])C1=C(C(=O)NC2=CC(C(F)(F)F)=C(Cl)C=C2[O-])CCCC1	REAL300001038775	1	35	-2.0	-110.82	320.29	7.85	-102.97
O=C([O-])C1=CC(F)=C(F)C=C1C(=O)NC1=CC(C(F)(F)F)=C(Cl)C=C1[O-]	REAL300001038776	1	31	-2.0	-96.80	318.32	7.18	-89.62
CC(CC(=O)[O-])CC(=O)NC1=CC(C(F)(F)F)=C(Cl)C=C1[O-]	REAL300001038777	1	33	-2.0	-89.09	306.89	5.57	-83.52
O=C([O-])[C@H]1CCCC[C@H]1C(=O)NC1=CC(C(F)(F)F)=C(Cl)C=C1[O-]	REAL300001038778	1	37	-2.0	-102.69	322.09	6.49	-96.20
O=C([O-])C1CC(C(=O)NC2=CC(C(F)(F)F)=C(Cl)C=C2[O-])C1	REAL300001038779	1	31	-2.0	-89.23	297.82	5.51	-83.72
CC1=CC=C(C)C(C(=O)NC2=CC(C(F)(F)F)=C(Cl)C=C2[O-])=C1C(=O)[O-]	REAL300001038780	1	37	-2.0	-118.21	343.00	7.47	-110.74
CC1(C)C(C(=O)[O-])C1C(=O)NC1=CC(C(F)(F)F)=C(Cl)C=C1[O-]	REAL300001038781	1	34	-2.0	-90.33	316.21	6.22	-84.11
O=C([O-])C1CCCC1C(=O)NC1=CC(C(F)(F)F)=C(Cl)C=C1[O-]	REAL300001038782	1	34	-2.0	-98.38	313.31	6.03	-92.35
CC(C)CC(C)(CC(=O)[O-])C(=O)NC1=CC(C(F)(F)F)=C(Cl)C=C1[O-]	REAL300001038783	1	42	-2.0	-104.46	349.93	7.51	-96.95
CCC(C)(CC(=O)[O-])C(=O)NC1=CC(C(F)(F)F)=C(Cl)C=C1[O-]	REAL300001038784	1	36	-2.0	-84.03	317.04	5.75	-78.28
CC(C)(SCC(=O)[O-])C(=O)NC1=CC(C(F)(F)F)=C(Cl)C=C1[O-]	REAL300001038786	1	34	-2.0	-87.93	327.16	6.01	-81.92
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)NC1=CC(C(F)(F)F)=C(Cl)C=C1[O-]	REAL300001038787	1	36	-2.0	-114.84	318.94	7.04	-107.80
O=C([O-])[C@]1(C2=CC=CC=C2)C[C@@H]1C(=O)NC1=CC(C(F)(F)F)=C(Cl)C=C1[O-]	REAL300001038788	1	38	-2.0	-113.48	355.27	8.30	-105.18
O=C([O-])[C@H]1CCC[C@@H](C(=O)NC2=CC(C(F)(F)F)=C(Cl)C=C2[O-])C1	REAL300001038789	1	37	-2.0	-92.54	332.10	6.69	-85.85
O=C([O-])C1CC1(C(=O)NC1=CC(C(F)(F)F)=C(Cl)C=C1[O-])C1=CC=CC=C1	REAL300001038790	1	38	-2.0	-110.88	360.10	8.39	-102.49
CC(C)CC(CC(=O)[O-])C(=O)NC1=CC(C(F)(F)F)=C(Cl)C=C1[O-]	REAL300001038791	1	39	-2.0	-86.06	343.74	6.90	-79.16
C[C@]1(C(=O)[O-])[C@H]2C=C[C@H](C2)[C@H]1C(=O)NC1=CC(C(F)(F)F)=C(Cl)C=C1[O-]	REAL300001038792	1	39	-2.0	-114.88	337.34	7.33	-107.55
O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1=CC(C(F)(F)F)=C(Cl)C=C1[O-]	REAL300001038793	1	28	-2.0	-105.60	278.73	5.60	-100.00
CC(C)(OCC(=O)[O-])C(=O)NC1=CC(C(F)(F)F)=C(Cl)C=C1[O-]	REAL300001038794	1	34	-2.0	-94.27	317.36	5.43	-88.84
CC1=C(C(=O)[O-])C(C(=O)NC2=CC(C(F)(F)F)=C(Cl)C=C2[O-])=C(C)S1	REAL300001038795	1	34	-2.0	-116.98	338.60	6.62	-110.36
O=C([O-])CCCCCCC(=O)NC1=CC(C(F)(F)F)=C(Cl)C=C1[O-]	REAL300001038796	1	39	-2.0	-85.38	357.96	7.48	-77.90
CCC1CC(C(=O)[O-])C(C(=O)NC2=CC(C(F)(F)F)=C(Cl)C=C2[O-])C1	REAL300001038797	1	40	-2.0	-96.77	354.85	7.35	-89.42
O=C([O-])CCCCCC(=O)NC1=CC(C(F)(F)F)=C(Cl)C=C1[O-]	REAL300001038798	1	36	-2.0	-88.33	336.46	6.70	-81.63
O=C([O-])CC1(CC(=O)NC2=CC(C(F)(F)F)=C(Cl)C=C2[O-])CC1	REAL300001038799	1	34	-2.0	-97.66	317.75	6.29	-91.37
O=C([O-])C1(CC(=O)NC2=CC(C(F)(F)F)=C(Cl)C=C2[O-])CC1	REAL300001038800	1	31	-2.0	-106.96	296.34	6.37	-100.59
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NC1=CC(C(F)(F)F)=C(Cl)C=C1[O-]	REAL300001038801	1	36	-2.0	-109.71	326.51	5.04	-104.67
O=C([O-])C1=C(C(=O)NC2=CC(C(F)(F)F)=C(Cl)C=C2[O-])CCCCC1	REAL300001038802	1	38	-2.0	-112.59	336.39	8.27	-104.32
O=C([O-])C1CCC(C(=O)NC2=CC(C(F)(F)F)=C(Cl)C=C2[O-])S1	REAL300001038803	1	32	-2.0	-89.23	316.75	5.94	-83.29
O=C([O-])C1=C(C(=O)NC2=CC(C(F)(F)F)=C(Cl)C=C2[O-])CCC1	REAL300001038804	1	32	-2.0	-109.22	308.97	5.94	-103.28
O=C([O-])C12CC1(C(=O)NC1=CC(C(F)(F)F)=C(Cl)C=C1[O-])CCC2	REAL300001038805	1	35	-2.0	-111.35	322.86	6.51	-104.84
O=C([O-])C1C2CCC(CC2)C1C(=O)NC1=CC(C(F)(F)F)=C(Cl)C=C1[O-]	REAL300001038806	1	41	-2.0	-97.51	343.49	7.40	-90.11
O=C([O-])[C@H]1CCCCC[C@H]1C(=O)NC1=CC(C(F)(F)F)=C(Cl)C=C1[O-]	REAL300001038807	1	40	-2.0	-114.21	339.71	6.98	-107.23
O=C([O-])C(CC(=O)NC1=CC(C(F)(F)F)=C(Cl)C=C1[O-])C1CCCCC1	REAL300001038808	1	43	-2.0	-105.76	362.34	8.54	-97.22
O=C([O-])CCCCC(=O)NC1=CC(C(F)(F)F)=C(Cl)C=C1[O-]	REAL300001038809	1	33	-2.0	-85.44	314.96	5.92	-79.52
O=C([O-])C1=C(C(=O)NC2=CC(C(F)(F)F)=C(Cl)C=C2[O-])CCCCCC1	REAL300001038810	1	41	-2.0	-113.74	343.64	8.81	-104.93
CN(C)S(=O)(=O)C1=CC=C([O-])C(NC(=O)CC2(C(=O)[O-])CCCCCC2)=C1	REAL300001038876	1	51	-2.0	-120.33	389.57	4.60	-115.73
CN(C)S(=O)(=O)C1=CC=C([O-])C(NC(=O)CC2(C(=O)[O-])CCCC2)=C1	REAL300001038877	1	45	-2.0	-115.58	371.49	3.83	-111.75
CN(C)S(=O)(=O)C1=CC=C([O-])C(NC(=O)CC(C)(C)CC(=O)[O-])=C1	REAL300001038878	1	44	-2.0	-99.06	359.56	2.53	-96.53
CN(C)S(=O)(=O)C1=CC=C([O-])C(NC(=O)CC(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300001038879	1	45	-2.0	-119.19	389.76	4.67	-114.52
CN(C)S(=O)(=O)C1=CC=C([O-])C(NC(=O)CC2(C(=O)[O-])CCCCC2)=C1	REAL300001038880	1	48	-2.0	-122.16	382.57	4.15	-118.01
CN(C)S(=O)(=O)C1=CC=C([O-])C(NC(=O)C2CC=CCC2C(=O)[O-])=C1	REAL300001038881	1	43	-2.0	-117.00	365.68	3.26	-113.74
CN(C)S(=O)(=O)C1=CC=C([O-])C(NC(=O)CCC(=O)[O-])=C1	REAL300001038882	1	35	-2.0	-98.90	315.70	0.92	-97.98
CN(C)S(=O)(=O)C1=CC=C([O-])C(NC(=O)CC2(CC(=O)[O-])CCCCC2)=C1	REAL300001038883	1	51	-2.0	-111.89	395.45	4.07	-107.82
CN(C)S(=O)(=O)C1=CC=C([O-])C(NC(=O)CC2(CC(=O)[O-])CCCC2)=C1	REAL300001038884	1	48	-2.0	-104.90	384.66	3.70	-101.20
CN(C)S(=O)(=O)C1=CC=C([O-])C(NC(=O)CSCC(=O)[O-])=C1	REAL300001038885	1	36	-2.0	-100.79	339.29	1.46	-99.33
CCC(CC)(CC(=O)NC1=CC(S(=O)(=O)N(C)C)=CC=C1[O-])C(=O)[O-]	REAL300001038886	1	47	-2.0	-121.10	378.68	3.51	-117.59
CN(C)S(=O)(=O)C1=CC=C([O-])C(NC(=O)CC(C)(C)C(=O)[O-])=C1	REAL300001038887	1	41	-2.0	-97.39	346.36	2.02	-95.37
CN(C)S(=O)(=O)C1=CC=C([O-])C(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])=C1	REAL300001038888	1	43	-2.0	-123.98	359.17	3.13	-120.85
CN(C)S(=O)(=O)C1=CC=C([O-])C(NC(=O)C2CC=CCC2C(=O)[O-])=C1	REAL300001038889	1	43	-2.0	-117.00	365.68	3.26	-113.74
CN(C)S(=O)(=O)C1=CC=C([O-])C(NC(=O)C2CCC(C(=O)[O-])O2)=C1	REAL300001038890	1	40	-2.0	-104.96	352.06	1.90	-103.06
CN(C)S(=O)(=O)C1=CC=C([O-])C(NC(=O)C2C3C=CC(CC3)C2C(=O)[O-])=C1	REAL300001038891	1	47	-2.0	-124.15	379.50	4.14	-120.01
CN(C)S(=O)(=O)C1=CC=C([O-])C(NC(=O)CC2(CC(=O)[O-])CCC2)=C1	REAL300001038892	1	45	-2.0	-102.76	372.10	3.18	-99.58
CC(OC(C)C(=O)NC1=CC(S(=O)(=O)N(C)C)=CC=C1[O-])C(=O)[O-]	REAL300001038893	1	42	-2.0	-114.03	369.27	2.28	-111.75
CN(C)S(=O)(=O)C1=CC=C([O-])C(NC(=O)CC2(C(=O)[O-])CCOC2)=C1	REAL300001038894	1	43	-2.0	-112.26	360.41	1.31	-110.95
CN(C)S(=O)(=O)C1=CC=C([O-])C(NC(=O)CC2(C(=O)[O-])CCC2)=C1	REAL300001038895	1	42	-2.0	-116.55	355.87	3.33	-113.22
CC(SC(C)C(=O)NC1=CC(S(=O)(=O)N(C)C)=CC=C1[O-])C(=O)[O-]	REAL300001038896	1	42	-2.0	-104.72	377.14	2.68	-102.04
CN(C)S(=O)(=O)C1=CC=C([O-])C(NC(=O)C2=C(C(=O)[O-])CCCC2)=C1	REAL300001038897	1	43	-2.0	-122.52	364.02	4.42	-118.10
CC(CC(=O)[O-])CC(=O)NC1=CC(S(=O)(=O)N(C)C)=CC=C1[O-]	REAL300001038898	1	41	-2.0	-102.02	349.81	2.15	-99.87
CN(C)S(=O)(=O)C1=CC=C([O-])C(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])=C1	REAL300001038899	1	45	-2.0	-117.91	366.98	3.10	-114.81
CN(C)S(=O)(=O)C1=CC=C([O-])C(NC(=O)C2CC(C(=O)[O-])C2)=C1	REAL300001038900	1	39	-2.0	-100.65	342.37	2.08	-98.57
CC1=CC=C(C)C(C(=O)NC2=CC(S(=O)(=O)N(C)C)=CC=C2[O-])=C1C(=O)[O-]	REAL300001038901	1	45	-2.0	-130.47	387.46	4.02	-126.45
CN(C)S(=O)(=O)C1=CC=C([O-])C(NC(=O)C2C(C(=O)[O-])C2(C)C)=C1	REAL300001038902	1	42	-2.0	-101.35	361.49	2.75	-98.60
CN(C)S(=O)(=O)C1=CC=C([O-])C(NC(=O)C2CCCC2C(=O)[O-])=C1	REAL300001038903	1	42	-2.0	-114.07	357.36	2.62	-111.45
CC(C)CC(C)(CC(=O)[O-])C(=O)NC1=CC(S(=O)(=O)N(C)C)=CC=C1[O-]	REAL300001038904	1	50	-2.0	-119.84	388.09	3.90	-115.94
CCC(C)(CC(=O)[O-])C(=O)NC1=CC(S(=O)(=O)N(C)C)=CC=C1[O-]	REAL300001038905	1	44	-2.0	-98.05	360.67	2.32	-95.73
CN(C)S(=O)(=O)C1=CC=C([O-])C(NC(=O)C(C)(C)SCC(=O)[O-])=C1	REAL300001038907	1	42	-2.0	-101.25	370.89	2.58	-98.67
CN(C)S(=O)(=O)C1=CC=C([O-])C(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])=C1	REAL300001038908	1	44	-2.0	-122.55	361.49	3.75	-118.80
CN(C)S(=O)(=O)C1=CC=C([O-])C(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)=C1	REAL300001038909	1	45	-2.0	-106.52	375.85	3.28	-103.24
CC(C)CC(CC(=O)[O-])C(=O)NC1=CC(S(=O)(=O)N(C)C)=CC=C1[O-]	REAL300001038910	1	47	-2.0	-112.97	384.45	3.76	-109.21
CN(C)S(=O)(=O)C1=CC=C([O-])C(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C(=O)[O-])=C1	REAL300001038911	1	47	-2.0	-131.05	380.93	3.91	-127.14
CN(C)S(=O)(=O)C1=CC=C([O-])C(NC(=O)[C@H]2C[C@H]2C(=O)[O-])=C1	REAL300001038912	1	36	-2.0	-116.10	322.48	2.17	-113.93
CN(C)S(=O)(=O)C1=CC=C([O-])C(NC(=O)C(C)(C)OCC(=O)[O-])=C1	REAL300001038913	1	42	-2.0	-108.51	361.83	1.96	-106.55
CC1=C(C(=O)[O-])C(C(=O)NC2=CC(S(=O)(=O)N(C)C)=CC=C2[O-])=C(C)S1	REAL300001038914	1	42	-2.0	-128.58	383.06	3.16	-125.42
CN(C)S(=O)(=O)C1=CC=C([O-])C(NC(=O)CCCCCCC(=O)[O-])=C1	REAL300001038915	1	47	-2.0	-97.30	401.69	4.05	-93.25
CCC1CC(C(=O)[O-])C(C(=O)NC2=CC(S(=O)(=O)N(C)C)=CC=C2[O-])C1	REAL300001038916	1	48	-2.0	-110.86	398.58	3.92	-106.94
CN(C)S(=O)(=O)C1=CC=C([O-])C(NC(=O)CCCCCC(=O)[O-])=C1	REAL300001038917	1	44	-2.0	-100.89	380.91	3.23	-97.66
CN(C)S(=O)(=O)C1=CC=C([O-])C(NC(=O)CC2(CC(=O)[O-])CC2)=C1	REAL300001038918	1	42	-2.0	-108.58	362.62	2.81	-105.77
CN(C)S(=O)(=O)C1=CC=C([O-])C(NC(=O)CC2(C(=O)[O-])CC2)=C1	REAL300001038919	1	39	-2.0	-117.29	340.82	2.90	-114.39
CN(C)S(=O)(=O)C1=CC=C([O-])C(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])=C1	REAL300001038920	1	44	-2.0	-124.74	369.60	1.46	-123.28
CN(C)S(=O)(=O)C1=CC=C([O-])C(NC(=O)C2=C(C(=O)[O-])CCCCC2)=C1	REAL300001038921	1	46	-2.0	-123.98	379.26	4.84	-119.14
CN(C)S(=O)(=O)C1=CC=C([O-])C(NC(=O)C2CCC(C(=O)[O-])S2)=C1	REAL300001038922	1	40	-2.0	-107.77	360.51	2.50	-105.27
CN(C)S(=O)(=O)C1=CC=C([O-])C(NC(=O)C2=C(C(=O)[O-])CCC2)=C1	REAL300001038923	1	40	-2.0	-126.25	352.71	2.52	-123.73
CN(C)S(=O)(=O)C1=CC=C([O-])C(NC(=O)C23CC2(C(=O)[O-])CCC3)=C1	REAL300001038924	1	43	-2.0	-125.40	366.19	3.92	-121.48
CN(C)S(=O)(=O)C1=CC=C([O-])C(NC(=O)C2C3CCC(CC3)C2C(=O)[O-])=C1	REAL300001038925	1	49	-2.0	-111.67	387.25	3.99	-107.68
CN(C)S(=O)(=O)C1=CC=C([O-])C(NC(=O)[C@@H]2CCCCC[C@@H]2C(=O)[O-])=C1	REAL300001038926	1	48	-2.0	-118.75	380.37	4.28	-114.47
CN(C)S(=O)(=O)C1=CC=C([O-])C(NC(=O)CC(C(=O)[O-])C2CCCCC2)=C1	REAL300001038927	1	51	-2.0	-119.43	411.90	4.96	-114.47
CN(C)S(=O)(=O)C1=CC=C([O-])C(NC(=O)CCCCC(=O)[O-])=C1	REAL300001038928	1	41	-2.0	-97.98	358.60	2.49	-95.49
CN(C)S(=O)(=O)C1=CC=C([O-])C(NC(=O)C2=C(C(=O)[O-])CCCCCC2)=C1	REAL300001038929	1	49	-2.0	-131.62	387.29	5.45	-126.17
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)CC2(C(=O)[O-])CCCCCC2)=C1	REAL300001038930	1	51	-2.0	-120.30	391.99	3.37	-116.93
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)CC2(C(=O)[O-])CCCC2)=C1	REAL300001038931	1	45	-2.0	-121.59	373.66	2.85	-118.74
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)CC(C)(C)CC(=O)[O-])=C1	REAL300001038932	1	44	-2.0	-98.48	361.61	1.56	-96.92
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)CC(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300001038933	1	45	-2.0	-118.28	391.84	3.69	-114.59
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)CC2(C(=O)[O-])CCCCC2)=C1	REAL300001038934	1	48	-2.0	-116.96	384.74	3.22	-113.74
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)C2CC=CCC2C(=O)[O-])=C1	REAL300001038935	1	43	-2.0	-118.27	368.70	2.25	-116.02
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)CCC(=O)[O-])=C1	REAL300001038936	1	35	-2.0	-98.13	317.76	-0.05	-98.18
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)CC2(CC(=O)[O-])CCCCC2)=C1	REAL300001038937	1	51	-2.0	-106.80	396.30	3.15	-103.65
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)CC2(CC(=O)[O-])CCCC2)=C1	REAL300001038938	1	48	-2.0	-106.28	387.52	2.72	-103.56
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)CSCC(=O)[O-])=C1	REAL300001038939	1	36	-2.0	-100.01	340.61	0.52	-99.49
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)CC(CC)(CC)C(=O)[O-])=C1	REAL300001038940	1	47	-2.0	-113.67	379.63	2.60	-111.07
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)CC(C)(C)C(=O)[O-])=C1	REAL300001038941	1	41	-2.0	-96.61	348.42	1.05	-95.56
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])=C1	REAL300001038942	1	43	-2.0	-112.55	362.07	2.07	-110.48
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)C2CC=CCC2C(=O)[O-])=C1	REAL300001038943	1	43	-2.0	-118.27	368.70	2.25	-116.02
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)C2CCC(C(=O)[O-])O2)=C1	REAL300001038944	1	40	-2.0	-104.96	354.14	0.92	-104.04
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)C2C3C=CC(CC3)C2C(=O)[O-])=C1	REAL300001038945	1	47	-2.0	-120.69	383.94	3.11	-117.58
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)CC2(CC(=O)[O-])CCC2)=C1	REAL300001038946	1	45	-2.0	-102.01	374.15	2.21	-99.80
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)C(C)OC(C)C(=O)[O-])=C1	REAL300001038947	1	42	-2.0	-113.26	371.42	1.31	-111.95
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)CC2(C(=O)[O-])CCOC2)=C1	REAL300001038948	1	43	-2.0	-112.72	362.46	0.34	-112.38
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)CC2(C(=O)[O-])CCC2)=C1	REAL300001038949	1	42	-2.0	-115.65	357.92	2.36	-113.29
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)C(C)SC(C)C(=O)[O-])=C1	REAL300001038950	1	42	-2.0	-105.59	379.01	1.77	-103.82
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)C2=C(C(=O)[O-])CCCC2)=C1	REAL300001038951	1	43	-2.0	-121.59	366.10	3.44	-118.15
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)CC(C)CC(=O)[O-])=C1	REAL300001038952	1	41	-2.0	-101.34	351.86	1.18	-100.16
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])=C1	REAL300001038953	1	45	-2.0	-117.29	369.11	2.12	-115.17
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)C2CC(C(=O)[O-])C2)=C1	REAL300001038954	1	39	-2.0	-99.94	344.44	1.11	-98.83
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)C2=C(C)C=CC(C)=C2C(=O)[O-])=C1	REAL300001038955	1	45	-2.0	-130.35	388.78	3.08	-127.27
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)C2C(C(=O)[O-])C2(C)C)=C1	REAL300001038956	1	42	-2.0	-100.18	361.97	1.82	-98.36
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)C2CCCC2C(=O)[O-])=C1	REAL300001038957	1	42	-2.0	-108.20	360.34	1.65	-106.55
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)C(C)(CC(=O)[O-])CC(C)C)=C1	REAL300001038958	1	50	-2.0	-112.27	394.85	3.10	-109.17
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)C(C)(CC)CC(=O)[O-])=C1	REAL300001038959	1	44	-2.0	-95.35	363.63	1.35	-94.00
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)C(C)(C)SCC(=O)[O-])=C1	REAL300001038961	1	42	-2.0	-100.91	372.95	1.61	-99.30
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])=C1	REAL300001038962	1	44	-2.0	-118.61	364.42	2.74	-115.87
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)=C1	REAL300001038963	1	45	-2.0	-105.75	377.91	2.31	-103.44
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)C(CC(=O)[O-])CC(C)C)=C1	REAL300001038964	1	47	-2.0	-98.60	389.54	2.50	-96.10
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C(=O)[O-])=C1	REAL300001038965	1	47	-2.0	-125.98	383.12	2.93	-123.05
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)[C@H]2C[C@H]2C(=O)[O-])=C1	REAL300001038966	1	36	-2.0	-117.38	325.41	1.18	-116.20
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)C(C)(C)OCC(=O)[O-])=C1	REAL300001038967	1	42	-2.0	-107.97	363.16	1.02	-106.95
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)C2=C(C)SC(C)=C2C(=O)[O-])=C1	REAL300001038968	1	42	-2.0	-128.80	384.40	2.21	-126.59
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)CCCCCCC(=O)[O-])=C1	REAL300001038969	1	47	-2.0	-96.69	403.75	3.08	-93.61
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)C2CC(CC)CC2C(=O)[O-])=C1	REAL300001038970	1	48	-2.0	-110.56	400.65	2.95	-107.61
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)CCCCCC(=O)[O-])=C1	REAL300001038971	1	44	-2.0	-100.20	382.25	2.30	-97.90
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)CC2(CC(=O)[O-])CC2)=C1	REAL300001038972	1	42	-2.0	-111.72	362.39	1.90	-109.82
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)CC2(C(=O)[O-])CC2)=C1	REAL300001038973	1	39	-2.0	-123.55	342.17	1.97	-121.58
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])=C1	REAL300001038974	1	44	-2.0	-124.64	370.94	0.53	-124.11
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)C2=C(C(=O)[O-])CCCCC2)=C1	REAL300001038975	1	46	-2.0	-123.04	381.35	3.87	-119.17
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)C2CCC(C(=O)[O-])S2)=C1	REAL300001038976	1	40	-2.0	-101.22	362.55	1.54	-99.68
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)C2=C(C(=O)[O-])CCC2)=C1	REAL300001038977	1	40	-2.0	-117.10	355.55	1.53	-115.57
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)C23CC2(C(=O)[O-])CCC3)=C1	REAL300001038978	1	43	-2.0	-124.39	368.24	2.94	-121.45
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)C2C3CCC(CC3)C2C(=O)[O-])=C1	REAL300001038979	1	49	-2.0	-110.87	389.30	3.02	-107.85
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)[C@@H]2CCCCC[C@@H]2C(=O)[O-])=C1	REAL300001038980	1	48	-2.0	-126.20	382.44	3.30	-122.90
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)CC(C(=O)[O-])C2CCCCC2)=C1	REAL300001038981	1	51	-2.0	-118.65	414.81	3.95	-114.70
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)CCCCC(=O)[O-])=C1	REAL300001038982	1	41	-2.0	-97.07	360.76	1.52	-95.55
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)C2=C(C(=O)[O-])CCCCCC2)=C1	REAL300001038983	1	49	-2.0	-130.70	390.19	4.44	-126.26
O=C([O-])CCC(=O)NC1=CC(S(=O)(=O)N2CCOCC2)=CC=C1[O-]	REAL300001039059	1	40	-2.0	-99.09	349.28	0.49	-98.60
O=C([O-])CSCC(=O)NC1=CC(S(=O)(=O)N2CCOCC2)=CC=C1[O-]	REAL300001039060	1	41	-2.0	-100.46	370.65	1.09	-99.37
CC(C)(CC(=O)NC1=CC(S(=O)(=O)N2CCOCC2)=CC=C1[O-])C(=O)[O-]	REAL300001039061	1	46	-2.0	-97.33	378.46	1.61	-95.72
O=C([O-])C1(CC(=O)NC2=CC(S(=O)(=O)N3CCOCC3)=CC=C2[O-])CCC1	REAL300001039062	1	47	-2.0	-118.54	390.07	2.16	-116.38
CC(CC(=O)[O-])CC(=O)NC1=CC(S(=O)(=O)N2CCOCC2)=CC=C1[O-]	REAL300001039063	1	46	-2.0	-102.22	381.89	1.75	-100.47
O=C([O-])C1CC(C(=O)NC2=CC(S(=O)(=O)N3CCOCC3)=CC=C2[O-])C1	REAL300001039064	1	44	-2.0	-102.74	373.65	1.68	-101.06
CC1(C)C(C(=O)[O-])C1C(=O)NC1=CC(S(=O)(=O)N2CCOCC2)=CC=C1[O-]	REAL300001039065	1	47	-2.0	-103.95	392.04	2.39	-101.56
O=C([O-])C1CCCC1C(=O)NC1=CC(S(=O)(=O)N2CCOCC2)=CC=C1[O-]	REAL300001039066	1	47	-2.0	-109.04	391.03	2.18	-106.86
O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1=CC(S(=O)(=O)N2CCOCC2)=CC=C1[O-]	REAL300001039067	1	41	-2.0	-123.49	356.14	1.73	-121.76
O=C([O-])CC1(CC(=O)NC2=CC(S(=O)(=O)N3CCOCC3)=CC=C2[O-])CC1	REAL300001039068	1	47	-2.0	-112.72	393.58	2.45	-110.27
O=C([O-])C1(CC(=O)NC2=CC(S(=O)(=O)N3CCOCC3)=CC=C2[O-])CC1	REAL300001039069	1	44	-2.0	-123.92	372.20	2.54	-121.38
O=C([O-])C1=C(C(=O)NC2=CC(S(=O)(=O)N3CCOCC3)=CC=C2[O-])CCC1	REAL300001039070	1	45	-2.0	-117.37	384.79	2.12	-115.25
O=C([O-])CCCCC(=O)NC1=CC(S(=O)(=O)N2CCOCC2)=CC=C1[O-]	REAL300001039071	1	46	-2.0	-97.84	392.28	2.06	-95.78
COC1=CC(C2=NC3=CC(C(=O)[O-])=CC=C3N2)=CC([N+](=O)[O-])=C1[O-]	REAL300001044351	0	33	-2.0	-94.43	304.95	7.15	-87.28
O=C([O-])C1=CC=C2NC(C3=CC=C([O-])C(Br)=C3)=NC2=C1	REAL300001044383	1	27	-2.0	-93.65	270.17	6.18	-87.47
COC1=CC(C2=NC3=CC(C(=O)[O-])=CC=C3N2)=CC=C1OCC(=O)[O-]	REAL300001044394	0	37	-2.0	-103.71	331.03	8.20	-95.51
O=C([O-])C1=CC=C(C2=CC=C(C3=NC4=CC(C(=O)[O-])=CC=C4N3)O2)C=C1	REAL300001044501	0	36	-2.0	-98.62	333.10	9.86	-88.76
O=C([O-])CCOC1=CC=C(C2=NC3=CC(C(=O)[O-])=CC=C3N2)C=C1	REAL300001044525	0	36	-2.0	-95.82	322.77	8.57	-87.25
O=C([O-])C1=CC=C2NC(C3=CC=CC(OCC4=CC=CC=C4C(=O)[O-])=C3)=NC2=C1	REAL300001044580	0	43	-2.0	-104.75	374.88	11.42	-93.33
CC1=C(C(=O)[O-])OC(COC2=CC=C(C3=NC4=CC(C(=O)[O-])=CC=C4N3)C=C2)=C1	REAL300001044584	0	43	-2.0	-108.12	382.82	10.50	-97.62
O=C([O-])C1=CC=C2NC(C3=CC(OCC4=CC(C(=O)[O-])=CC=C4)=CC=C3)=NC2=C1	REAL300001044585	0	43	-2.0	-117.68	382.08	11.44	-106.24
COC1=CC(C2=NC3=CC(C(=O)[O-])=CC=C3N2)=C([N+](=O)[O-])C=C1OCC(=O)[O-]	REAL300001044586	0	39	-2.0	-108.56	354.87	9.49	-99.07
O=C([O-])C1=C(COC2=CC=C(C3=NC4=CC(C(=O)[O-])=CC=C4N3)C=C2)OC=C1	REAL300001044593	0	40	-2.0	-108.00	361.19	9.58	-98.42
O=C([O-])C1=CC=C2NC(C3=CC=C(OC(F)(F)C(=O)[O-])C=C3)=NC2=C1	REAL300001044603	0	33	-2.0	-93.61	311.15	7.97	-85.64
COC1=C2OC(C(=O)[O-])=CC2=C(C2=NC3=CC(C(=O)[O-])=CC=C3N2)C=C1	REAL300001044619	0	36	-2.0	-126.58	326.71	8.35	-118.23
O=C([O-])C1=CC=C2NC(C3=NNC4=CC(C(=O)[O-])=CC=C43)=NC2=C1	REAL300001044655	0	32	-2.0	-99.10	298.98	6.75	-92.35
O=C([O-])C1=CC2=NNC(C3=NC4=CC(C(=O)[O-])=CC=C4N3)=C2C=C1	REAL300001044655	1	32	-2.0	-105.15	298.22	6.81	-98.34
O=C([O-])C1=CC=C2NC(C3=CC=C(C(=O)[O-])C=C3Cl)=NC2=C1	REAL300001044676	0	29	-2.0	-99.26	283.12	9.04	-90.22
O=C([O-])C1=CC=C2NC(C3=CC=CC([O-])=C3Br)=NC2=C1	REAL300001044743	1	27	-2.0	-103.41	265.03	6.61	-96.80
O=C([O-])C1=CC=C2NC(C3=CC=C(C(=O)[O-])C(F)=C3)=NC2=C1	REAL300001044761	0	29	-2.0	-102.37	275.24	8.18	-94.19
O=C([O-])C1=CC=C(C2=CC=C(C3=NC4=CC(C(=O)[O-])=CC=C4N3)C=C2)C=C1	REAL300001044809	0	39	-2.0	-104.87	344.81	11.57	-93.30
O=C([O-])C1=CC=C(C2=CC=C(C3=NC4=CC(C(=O)[O-])=CC=C4N3)S2)C=C1	REAL300001044816	0	36	-2.0	-100.34	340.79	10.79	-89.55
COC1=CC(C2=NC3=CC(C(=O)[O-])=CC=C3N2)=CC=C1C(=O)[O-]	REAL300001044840	0	33	-2.0	-103.74	297.92	8.22	-95.52
O=C([O-])C1=CC=C2NC(C3=CC(Br)=C([O-])C=C3F)=NC2=C1	REAL300001044898	0	27	-2.0	-92.28	274.65	6.42	-85.86
COC1=CC([O-])=C(Cl)C=C1C1=NC2=CC(C(=O)[O-])=CC=C2N1	REAL300001044899	1	31	-2.0	-94.85	293.03	5.78	-89.07
COC1=CC(C(=O)[O-])=CC=C1C1=NC2=CC(C(=O)[O-])=CC=C2N1	REAL300001044940	0	33	-2.0	-101.51	297.94	7.86	-93.65
N#CC1=C2[N-]C(C3=CC=C(C4=CC=C(C(=O)[O-])C=C4)O3)=NC2=CC(Cl)=N1	REAL300001046408	1	33	-2.0	-87.12	333.92	7.84	-79.28
N#CC1=C2N=C(C3=CC=C(C4=CC=C(C(=O)[O-])C=C4)O3)[N-]C2=CC(Cl)=N1	REAL300001046408	1	33	-2.0	-86.83	333.96	7.86	-78.97
N#CC1=C2[N-]C(C3=CC=C(C=CC(=O)[O-])O3)=NC2=CC(Cl)=N1	REAL300001046416	1	27	-2.0	-92.06	289.33	5.68	-86.38
N#CC1=C2N=C(C3=CC=C(C=CC(=O)[O-])O3)[N-]C2=CC(Cl)=N1	REAL300001046416	1	27	-2.0	-91.65	289.38	5.70	-85.95
CC1=C(C(=O)[O-])C=C(C2=NC3=CC(Cl)=NC(C#N)=C3[N-]2)O1	REAL300001046418	1	26	-2.0	-89.26	276.34	4.99	-84.27
CC1=CC2=C(N=C(C3=CC=C(C4=CC=C(C(=O)[O-])C=C4)O3)[N-]2)C(=O)N1C	REAL300001046424	0	39	-2.0	-109.71	343.69	8.13	-101.58
CC1=CC2=C([N-]C(C3=CC=C(C4=CC=C(C(=O)[O-])C=C4)O3)=N2)C(=O)N1C	REAL300001046424	1	39	-2.0	-109.97	343.83	8.18	-101.79
COC1=CC(C2=NC3=C([N-]2)C(=O)N(C)C(C)=C3)=C([N+](=O)[O-])C=C1OCC(=O)[O-]	REAL300001046429	1	42	-2.0	-108.05	366.70	6.87	-101.18
CC1=CC2=C(N=C(C3=NNC4=CC(C(=O)[O-])=CC=C43)[N-]2)C(=O)N1C	REAL300001046433	0	35	-2.0	-106.20	309.59	5.05	-101.15
CC1=CC2=C([N-]C(C3=NNC4=CC(C(=O)[O-])=CC=C43)=N2)C(=O)N1C	REAL300001046433	1	35	-2.0	-106.15	309.74	5.07	-101.08
CC1=CC2=C([N-]C(C3=CC=C(C4=CC=C(C(=O)[O-])C=C4)S3)=N2)C(=O)N1C	REAL300001046437	1	39	-2.0	-103.41	351.52	9.11	-94.30
COC1=CC(C2=NC3=C([O-])C=CC=C3N2)=C([N+](=O)[O-])C=C1OCC(=O)[O-]	REAL300001046538	1	37	-2.0	-113.31	333.88	6.86	-106.45
O=C([O-])CC(C1=CC=C(Cl)C=C1)N1C(=O)C2=CC=CC=C2[N-]C1=S	REAL300001047030	0	35	-2.0	-116.27	321.40	10.70	-105.57
O=C([O-])C[C@@H](C1=CC=CC=C1Cl)N1C(=O)C2=CC=CC=C2[N-]C1=S	REAL300001047035	0	35	-2.0	-125.46	316.32	10.17	-115.29
O=C([O-])CC(C1=CC=CC(F)=C1)N1C(=O)C2=CC=CC=C2[N-]C1=S	REAL300001047039	0	35	-2.0	-121.80	309.70	10.28	-111.52
COC1=CC=C2N=C(C3=CC=C(CCC(=O)[O-])C=C3)[N-]C(=O)C2=C1	REAL300001047367	1	38	-2.0	-97.16	331.87	7.20	-89.96
COC1=CC=C2N=C(C3=CC=C(CC(C)C(=O)[O-])C=C3)[N-]C(=O)C2=C1	REAL300001047372	1	41	-2.0	-97.53	348.33	7.66	-89.87
CC(C)C1=CC=C2N=C(C3=CC=C(CCC(=O)[O-])C=C3)[N-]C(=O)C2=C1	REAL300001047377	1	43	-2.0	-96.63	362.55	9.82	-86.81
CC(C)C1=CC=C2N=C(C3=CC=C(C(=O)[O-])C=C3)[N-]C(=O)C2=C1	REAL300001047378	1	37	-2.0	-98.60	318.93	8.23	-90.37
CC1=CC=C2N=C(C3=CC=C(CCC(=O)[O-])C=C3)[N-]C(=O)C2=C1	REAL300001047423	1	37	-2.0	-96.55	323.87	8.56	-87.99
CC1=CC=C2N=C(C3=CC=C(CC(C)C(=O)[O-])C=C3)[N-]C(=O)C2=C1	REAL300001047426	1	40	-2.0	-97.29	341.15	9.05	-88.24
CCC1=CC=C2N=C(C3=CC=C(CCC(=O)[O-])C=C3)[N-]C(=O)C2=C1	REAL300001047444	1	40	-2.0	-96.62	345.36	9.33	-87.29
CCC1=CC=C2N=C(C3=CC=C(CC(C)C(=O)[O-])C=C3)[N-]C(=O)C2=C1	REAL300001047449	1	43	-2.0	-96.97	361.82	9.79	-87.18
COC1=CC(C=CC(=O)[O-])=CC=C1OCC1=NC(=O)C2=CC([O-])=C(F)C=C2N1	REAL300001047548	1	41	-2.0	-113.19	367.95	5.37	-107.82
O=C([O-])C1=CC=C(NC(=O)CC2=NC(=O)C3=CC([O-])=C(F)C=C3N2)C=C1	REAL300001047549	1	36	-2.0	-132.35	329.55	4.47	-127.88
O=C([O-])C1=CC=CC=C1NC(=O)CC1=NC(=O)C2=CC([O-])=C(F)C=C2N1	REAL300001047550	1	36	-2.0	-110.48	324.76	4.82	-105.66
O=C([O-])C=CC1=CC=C(OCC2=NC(=O)C3=CC([O-])=C(F)C=C3N2)C=C1	REAL300001047551	1	37	-2.0	-110.80	338.74	5.47	-105.33
O=C([O-])CCC1=CC=C(C2=NC3=CC(F)=C([O-])C=C3C(=O)N2)C=C1	REAL300001047552	0	35	-2.0	-91.75	317.13	6.77	-84.98
O=C([O-])C1=CC=C(C2=NC(=O)C3=CC([O-])=C(F)C=C3N2)C=C1	REAL300001047553	1	29	-2.0	-97.91	273.51	4.66	-93.25
O=C([O-])C1=CC=CC(CC2=NC(=O)C3=CC([O-])=C(F)C=C3N2)=C1	REAL300001047554	1	32	-2.0	-121.93	298.36	5.44	-116.49
O=C([O-])C1=CC=CC=C1OCC1=NC(=O)C2=CC([O-])=C(F)C=C2N1	REAL300001047555	1	33	-2.0	-136.98	305.18	4.92	-132.06
O=C([O-])COC1=CC=C(C2=NC3=CC(F)=C([O-])C=C3C(=O)N2)C=C1Cl	REAL300001047556	0	33	-2.0	-92.45	320.59	6.00	-86.45
O=C([O-])C1=CC=C(C2=NC(=O)C3=CC([O-])=C(F)C=C3N2)S1	REAL300001047557	0	26	-2.0	-91.91	267.95	3.66	-88.25
CC(CC1=CC=C(C2=NC3=CC(F)=C([O-])C=C3C(=O)N2)C=C1)C(=O)[O-]	REAL300001047558	0	38	-2.0	-92.81	334.34	7.26	-85.55
CN1C2=NC=CC=C2C2=C1C(=O)[N-]C(C1=CC=C(OCC(=O)[O-])C(Cl)=C1)=N2	REAL300001047646	1	38	-2.0	-96.09	352.57	7.86	-88.23
CC1=CC2=C(C=C1Br)C(=O)[N-]C(C1=CC=C(C(=O)[O-])S1)=N2	REAL300001047652	1	28	-2.0	-92.84	291.62	6.42	-86.42
CCOC1=CC=C2N=C(C3=CC=C(CCC(=O)[O-])C=C3)[N-]C(=O)C2=C1	REAL300001047668	1	41	-2.0	-97.15	353.73	8.12	-89.03
CCOC1=CC=C2N=C(C3=CC=C(C(=O)[O-])C=C3)[N-]C(=O)C2=C1	REAL300001047669	1	35	-2.0	-99.02	310.06	6.53	-92.49
CCOC1=CC=C2N=C(C3=CC=C(CC(C)C(=O)[O-])C=C3)[N-]C(=O)C2=C1	REAL300001047674	1	44	-2.0	-97.89	371.00	8.61	-89.28
CC(C)OC1=CC=C2N=C(C3=CC=C(CCC(=O)[O-])C=C3)[N-]C(=O)C2=C1	REAL300001047719	1	44	-2.0	-95.54	371.69	8.75	-86.79
CC(C)OC1=CC=C2N=C(C3=CC=C(C(=O)[O-])C=C3)[N-]C(=O)C2=C1	REAL300001047720	1	38	-2.0	-97.65	328.00	7.16	-90.49
CC(C)OC1=CC=C2N=C(C3=CC=C(CC(C)C(=O)[O-])C=C3)[N-]C(=O)C2=C1	REAL300001047725	1	47	-2.0	-96.32	388.94	9.23	-87.09
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC3(CC3C(=O)[O-])CC2)=C1	REAL300001048454	0	45	-2.0	-107.92	370.11	5.86	-102.06
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC2(CC2C(=O)[O-])CC1	REAL300001048769	0	45	-2.0	-108.88	372.27	6.11	-102.77
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCC3(CC3C(=O)[O-])CC2)C=C1	REAL300001048819	1	47	-2.0	-107.82	391.95	11.43	-96.39
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC3(CC3C(=O)[O-])CC2)O1	REAL300001049262	1	48	-2.0	-103.34	390.40	4.76	-98.58
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC3(CC3C(=O)[O-])CC2)O1	REAL300001049263	1	39	-2.0	-102.93	336.78	2.22	-100.71
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC2(CC2C(=O)[O-])CC1	REAL300001049536	0	42	-2.0	-107.04	350.85	5.19	-101.85
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC3(CC3C(=O)[O-])CC2)=CS1	REAL300001049905	1	46	-2.0	-98.03	381.74	6.79	-91.24
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCC2(CC2C(=O)[O-])CC1	REAL300001050141	0	42	-2.0	-100.18	355.14	5.27	-94.91
CC1=C(CC(=O)N2CCC3(CC3C(=O)[O-])CC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001050144	1	48	-2.0	-109.23	392.62	6.95	-102.28
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC2(CC2C(=O)[O-])CC1	REAL300001050147	0	48	-2.0	-109.44	393.77	6.90	-102.54
CC1=C(C(=O)N2CCC3(CC3C(=O)[O-])CC2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300001050227	1	48	-2.0	-111.40	381.32	6.51	-104.89
O=C([O-])C1CC12CCN(C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])CC2	REAL300001051258	1	38	-2.0	-106.67	326.03	7.40	-99.27
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC3(CC3C(=O)[O-])CC2)C=N1	REAL300001051366	0	41	-2.0	-102.82	348.67	4.36	-98.46
O=C([O-])C1CC12CCN(C(=O)C1=CN=C(C3CC3)[N-]C1=O)CC2	REAL300001051399	1	40	-2.0	-111.70	332.27	5.70	-106.00
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC4(CC4C(=O)[O-])CC3)=N2)=C1	REAL300001051457	0	51	-2.0	-116.68	405.00	9.94	-106.74
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC4(CC4C(=O)[O-])CC3)=N2)C=C1	REAL300001051458	0	51	-2.0	-116.52	405.19	9.94	-106.58
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC3(CC3C(=O)[O-])CC2)=N1	REAL300001051548	0	45	-2.0	-114.28	377.38	8.45	-105.83
O=C([O-])C1CC12CCN(C(=O)C1=NN(C3=CC=CC(F)=C3)C=C1[O-])CC2	REAL300001051553	0	42	-2.0	-115.42	351.43	8.08	-107.34
O=C([O-])C1CC12CCN(C(=O)C1=C([O-])C3=CC=CC=C3C=N1)CC2	REAL300001051584	1	40	-2.0	-113.59	324.55	9.17	-104.42
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC4(CC4C(=O)[O-])CC3)=N2)=C1	REAL300001051737	0	45	-2.0	-118.95	369.79	8.69	-110.26
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC3(CC3C(=O)[O-])CC2)=N1	REAL300001051738	0	48	-2.0	-113.70	390.75	9.24	-104.46
CC1=C(CC(=O)N2CCC3(CC3C(=O)[O-])CC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001051809	1	48	-2.0	-107.57	392.81	6.94	-100.63
O=C([O-])C1CC12CCN(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)CC2	REAL300001051859	0	35	-2.0	-95.95	310.04	6.82	-89.13
COC1=C(C(=O)N2CCC3(CC3C(=O)[O-])CC2)NC(=O)[N-]C1=O	REAL300001051870	1	38	-2.0	-98.87	321.38	0.73	-98.14
O=C([O-])C1CC12CCN(C(=O)C1=CC=C([O-])C(Cl)=C1)CC2	REAL300001051995	0	35	-2.0	-96.14	303.75	6.76	-89.38
CCOC1=CC(C(=O)N2CCC3(CC3C(=O)[O-])CC2)=CC(Cl)=C1[O-]	REAL300001051998	1	42	-2.0	-100.15	354.88	7.80	-92.35
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC4(CC4C(=O)[O-])CC3)=N2)C=C1	REAL300001052010	0	46	-2.0	-114.11	374.51	7.33	-106.78
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC3(CC3C(=O)[O-])CC2)=CO1	REAL300001052033	1	39	-2.0	-97.08	336.36	2.07	-95.01
O=C([O-])C1CC12CCN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)CC2	REAL300001052190	0	38	-2.0	-90.37	320.57	5.67	-84.70
O=C([O-])C1CC12CCN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)CC2	REAL300001052190	1	38	-2.0	-90.38	320.63	5.67	-84.71
COCC1=NC=C(C(=O)N2CCC3(CC3C(=O)[O-])CC2)C(=O)[N-]1	REAL300001052509	1	40	-2.0	-109.49	334.36	3.29	-106.20
O=C([O-])C1CC12CCN(C(=O)C1=CN=C(C3CCC3)[N-]C1=O)CC2	REAL300001052553	1	43	-2.0	-100.22	348.12	6.25	-93.97
O=C([O-])C1CC12CCN(C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])CC2	REAL300001052851	0	35	-2.0	-104.51	320.99	7.57	-96.94
CC1=C(C(=O)N2CCC3(CC3C(=O)[O-])CC2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300001053151	0	43	-2.0	-113.76	361.50	5.59	-108.17
CC1=C(CCC(=O)N2CCC(C(=O)[O-])CC2)C(=O)NC(N2CCOCC2)=N1	REAL300001053719	0	51	-2.0	-97.44	398.71	7.20	-90.24
CC1=C(CCC(=O)N2CCC(C(=O)[O-])CC2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300001053719	1	51	-2.0	-97.44	398.71	7.20	-90.24
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300001054067	0	41	-2.0	-106.73	344.58	4.56	-102.17
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])CC1	REAL300001054377	0	41	-2.0	-107.32	345.67	4.84	-102.48
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300001054423	1	43	-2.0	-101.91	364.45	10.18	-91.73
O=C([O-])C1CCN(C(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3)C=C2)CC1	REAL300001054605	1	45	-2.0	-102.77	381.45	6.94	-95.83
O=C([O-])C1CCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)CC1	REAL300001054606	1	45	-2.0	-103.74	378.84	6.83	-96.91
CC1=CC(C(=O)N2CCC(C(=O)[O-])CC2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300001054619	0	41	-2.0	-86.59	361.30	5.04	-81.55
O=C([O-])C1CCN(C(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CS3)C=C2)CC1	REAL300001054851	0	42	-2.0	-97.60	373.38	5.95	-91.65
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(C(=O)[O-])CC2)O1	REAL300001054869	1	44	-2.0	-96.04	363.93	3.54	-92.50
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(C(=O)[O-])CC2)O1	REAL300001054870	1	35	-2.0	-95.03	310.35	0.98	-94.05
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300001055110	0	45	-2.0	-114.49	379.26	2.80	-111.69
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])CC1	REAL300001055156	0	38	-2.0	-105.12	320.47	3.91	-101.21
O=C([O-])C1CCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CS3)=C2)CC1	REAL300001055164	0	42	-2.0	-102.85	372.55	5.90	-96.95
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC(C(=O)[O-])CC2)=CS1	REAL300001055516	1	42	-2.0	-100.05	355.15	5.50	-94.55
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCC(C(=O)[O-])CC1	REAL300001055724	0	38	-2.0	-99.46	329.60	3.96	-95.50
CC1=C(CC(=O)N2CCC(C(=O)[O-])CC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001055731	1	44	-2.0	-103.87	366.01	5.73	-98.14
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])CC1	REAL300001055736	0	44	-2.0	-107.93	367.17	5.62	-102.31
CC1=C(C(=O)N2CCC(C(=O)[O-])CC2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300001055798	1	44	-2.0	-110.38	353.72	5.24	-105.14
O=C([O-])C1CCN(C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3)C=C2)CC1	REAL300001055897	1	45	-2.0	-96.45	381.55	6.94	-89.51
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)N1CCC(C(=O)[O-])CC1	REAL300001056446	0	44	-2.0	-110.98	366.95	6.18	-104.80
O=C([O-])C1CCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CC1	REAL300001056615	1	34	-2.0	-106.26	298.71	6.75	-99.51
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC(C(=O)[O-])CC2)C=N1	REAL300001056702	0	37	-2.0	-95.66	319.13	2.89	-92.77
O=C([O-])C1CCN(C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=NC=C3)C=C2)CC1	REAL300001056763	1	44	-2.0	-92.76	376.61	5.16	-87.60
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC(C(=O)[O-])CC3)=N2)=C1	REAL300001056778	0	47	-2.0	-114.15	376.81	8.58	-105.57
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC(C(=O)[O-])CC3)=N2)C=C1	REAL300001056779	0	47	-2.0	-113.58	378.34	8.67	-104.91
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC(C(=O)[O-])CC2)=N1	REAL300001056848	0	41	-2.0	-113.59	349.05	7.14	-106.45
O=C([O-])C1CCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CC1	REAL300001056852	0	38	-2.0	-110.20	323.02	6.74	-103.46
O=C([O-])C1CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)CC1	REAL300001056873	1	36	-2.0	-114.07	297.92	7.91	-106.16
O=C([O-])C1CCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)CC1	REAL300001056891	0	38	-2.0	-88.40	340.38	4.26	-84.14
O=C([O-])C1CCN(C(=O)C2=CN=C(I)C([O-])=C2)CC1	REAL300001056929	0	30	-2.0	-91.40	279.75	3.90	-87.50
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC(C(=O)[O-])CC3)=N2)=C1	REAL300001056978	0	41	-2.0	-116.63	341.36	7.32	-109.31
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC(C(=O)[O-])CC2)=N1	REAL300001056979	0	44	-2.0	-111.62	363.05	7.86	-103.76
CC1=C(CC(=O)N2CCC(C(=O)[O-])CC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001057020	1	44	-2.0	-102.15	366.19	5.72	-96.43
O=C([O-])C1CCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)CC1	REAL300001057052	0	31	-2.0	-90.57	279.98	5.43	-85.14
CCOC1=CC(C(=O)N2CCC(C(=O)[O-])CC2)=CC(Cl)=C1[O-]	REAL300001057136	1	38	-2.0	-94.45	324.82	6.40	-88.05
O=C([O-])C1CCN(C(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])CC1	REAL300001057140	0	41	-2.0	-120.75	351.62	7.57	-113.18
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC(C(=O)[O-])CC3)=N2)C=C1	REAL300001057147	0	42	-2.0	-113.44	347.92	6.08	-107.36
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(C(=O)[O-])CC2)=CO1	REAL300001057164	1	35	-2.0	-91.45	309.07	0.75	-90.70
O=C([O-])C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300001057284	0	34	-2.0	-86.59	293.40	4.44	-82.15
O=C([O-])C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300001057284	1	34	-2.0	-86.59	293.47	4.44	-82.15
O=C([O-])C1CCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)CC1	REAL300001057544	1	39	-2.0	-107.95	321.85	5.01	-102.94
O=C([O-])C1CCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300001057747	0	31	-2.0	-102.40	294.34	6.36	-96.04
CC1=C(C(=O)N2CCC(C(=O)[O-])CC2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300001057970	0	39	-2.0	-113.11	333.42	4.68	-108.43
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300001058777	0	41	-2.0	-97.82	364.20	4.95	-92.87
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300001059092	0	41	-2.0	-98.81	364.28	5.17	-93.64
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300001059142	1	43	-2.0	-104.70	386.64	10.09	-94.61
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)O1	REAL300001059591	1	44	-2.0	-94.79	390.02	3.40	-91.39
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)O1	REAL300001059592	1	35	-2.0	-94.35	335.26	0.95	-93.40
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300001059867	0	38	-2.0	-97.53	342.81	4.27	-93.26
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC2=CC=C(C(=O)[O-])C=C2)=CS1	REAL300001060238	1	42	-2.0	-98.17	376.99	5.37	-92.80
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300001060474	0	38	-2.0	-92.90	349.22	4.34	-88.56
CC1=C(CC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001060477	1	44	-2.0	-103.37	386.94	5.53	-97.84
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300001060480	0	44	-2.0	-99.14	385.77	5.95	-93.19
CC1=C(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300001060559	1	44	-2.0	-95.28	366.90	5.76	-89.52
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300001061369	0	44	-2.0	-102.26	388.70	6.52	-95.74
O=C([O-])C1=CC=C(CNC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C=C1	REAL300001061571	1	34	-2.0	-96.73	318.94	7.75	-88.98
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300001061679	0	37	-2.0	-97.01	343.86	3.29	-93.72
O=C([O-])C1=CC=C(CNC(=O)C2=CN=C(C3CC3)[N-]C2=O)C=C1	REAL300001061712	1	36	-2.0	-94.08	321.68	4.70	-89.38
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCC3=CC=C(C(=O)[O-])C=C3)=N2)=C1	REAL300001061768	0	47	-2.0	-109.33	403.46	8.33	-101.00
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC3=CC=C(C(=O)[O-])C=C3)=N2)C=C1	REAL300001061769	0	47	-2.0	-108.02	403.39	8.33	-99.69
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300001061854	0	41	-2.0	-105.04	370.94	7.43	-97.61
O=C([O-])C1=CC=C(CNC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C=C1	REAL300001061859	0	38	-2.0	-105.75	349.61	6.48	-99.27
O=C([O-])C1=CC=C(CNC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C=C1	REAL300001061887	1	36	-2.0	-106.23	322.76	7.36	-98.87
O=C([O-])C1=CC=C(CNC(=O)C2=CN=C(I)C([O-])=C2)C=C1	REAL300001061961	0	30	-2.0	-89.79	304.32	4.32	-85.47
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC3=CC=C(C(=O)[O-])C=C3)=N2)=C1	REAL300001062027	0	41	-2.0	-111.88	367.95	7.06	-104.82
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300001062028	0	44	-2.0	-110.01	384.44	8.15	-101.86
CC1=C(CC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001062096	1	44	-2.0	-102.08	387.12	5.52	-96.56
O=C([O-])C1=CC=C(CNC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C=C1	REAL300001062145	0	31	-2.0	-91.03	304.63	5.74	-85.29
COC1=C(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)NC(=O)[N-]C1=O	REAL300001062155	1	34	-2.0	-94.64	310.78	0.84	-93.80
O=C([O-])C1=CC=C(CNC(=O)C2=CC=C([O-])C(Cl)=C2)C=C1	REAL300001062272	0	31	-2.0	-90.44	298.42	5.70	-84.74
CCOC1=CC(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)=CC(Cl)=C1[O-]	REAL300001062276	1	38	-2.0	-94.96	349.47	6.72	-88.24
COC1=CC=C(N2C=C([O-])C(C(=O)NCC3=CC=C(C(=O)[O-])C=C3)=N2)C=C1	REAL300001062288	0	42	-2.0	-108.23	372.68	5.71	-102.52
C[N-]S(=O)(=O)C1=CC(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)=CO1	REAL300001062309	1	35	-2.0	-95.36	334.39	0.94	-94.42
O=C([O-])C1=CC=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300001062453	0	34	-2.0	-88.12	318.16	3.83	-84.29
O=C([O-])C1=CC=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300001062453	1	34	-2.0	-88.06	318.23	3.84	-84.22
COCC1=NC=C(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)C(=O)[N-]1	REAL300001062756	1	36	-2.0	-93.34	323.52	2.35	-90.99
O=C([O-])C1=CC=C(CNC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C=C1	REAL300001062799	1	39	-2.0	-94.15	337.43	5.25	-88.90
O=C([O-])C1=CC=C(CNC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C=C1	REAL300001063087	0	31	-2.0	-93.60	313.02	7.78	-85.82
CC1=C(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300001063368	0	39	-2.0	-98.59	347.13	4.85	-93.74
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300001064268	0	44	-2.0	-117.60	383.79	6.25	-111.35
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300001064566	0	44	-2.0	-118.41	383.04	6.50	-111.91
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300001064611	1	46	-2.0	-129.98	405.37	11.41	-118.57
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])O1	REAL300001065041	1	47	-2.0	-98.35	408.47	4.80	-93.55
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])O1	REAL300001065042	1	38	-2.0	-97.00	354.02	2.30	-94.70
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300001065311	0	41	-2.0	-116.77	362.41	5.56	-111.21
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=CS1	REAL300001065661	1	45	-2.0	-112.36	396.60	6.66	-105.70
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300001065897	0	41	-2.0	-109.11	368.82	5.62	-103.49
CC1=C(CC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001065900	1	47	-2.0	-116.33	406.62	6.88	-109.45
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300001065903	0	47	-2.0	-119.12	404.53	7.27	-111.85
CC1=C(C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300001065984	1	47	-2.0	-113.64	385.60	7.09	-106.55
O=C([O-])C(CC1=CC=CC=C1)NC(=O)C1=CC=C([O-])C(F)=C1	REAL300001067044	1	34	-2.0	-102.33	308.28	6.49	-95.84
O=C([O-])C(CC1=CC=CC=C1)NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300001067055	1	37	-2.0	-119.38	337.72	9.06	-110.32
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=N1	REAL300001067162	0	40	-2.0	-104.41	363.51	4.58	-99.83
O=C([O-])C(CC1=CC=CC=C1)NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300001067198	1	39	-2.0	-112.40	340.11	6.07	-106.33
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC(CC3=CC=CC=C3)C(=O)[O-])=N2)=C1	REAL300001067256	0	50	-2.0	-133.79	423.10	9.62	-124.17
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(CC3=CC=CC=C3)C(=O)[O-])=N2)C=C1	REAL300001067257	0	50	-2.0	-132.29	423.04	9.63	-122.66
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300001067352	0	44	-2.0	-129.26	390.34	8.78	-120.48
O=C([O-])C(CC1=CC=CC=C1)NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300001067357	0	41	-2.0	-129.66	369.26	7.77	-121.89
O=C([O-])C(CC1=CC=CC=C1)NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300001067395	1	39	-2.0	-134.92	341.53	8.67	-126.25
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(CC3=CC=CC=C3)C(=O)[O-])=N2)=C1	REAL300001067561	0	44	-2.0	-136.78	387.61	8.36	-128.42
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300001067562	0	47	-2.0	-135.59	403.87	9.49	-126.10
CC1=C(CC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001067639	1	47	-2.0	-114.81	406.69	6.79	-108.02
O=C([O-])C(CC1=CC=CC=C1)NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300001067699	0	34	-2.0	-97.87	324.23	7.06	-90.81
COC1=C(C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])NC(=O)[N-]C1=O	REAL300001067715	1	37	-2.0	-98.09	330.37	2.11	-95.98
O=C([O-])C(CC1=CC=CC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300001067816	0	37	-2.0	-105.72	326.98	5.39	-100.33
O=C([O-])C(CC1=CC=CC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300001067816	1	37	-2.0	-105.72	327.04	5.41	-100.31
O=C([O-])C(CC1=CC=CC=C1)NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300001067852	0	34	-2.0	-99.65	318.07	6.97	-92.68
CCOC1=CC(C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300001067855	1	41	-2.0	-102.88	369.13	8.02	-94.86
COC1=CC=C(N2C=C([O-])C(C(=O)NC(CC3=CC=CC=C3)C(=O)[O-])=N2)C=C1	REAL300001067865	0	45	-2.0	-131.97	392.33	7.01	-124.96
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=CO1	REAL300001067889	1	38	-2.0	-102.85	353.81	2.30	-100.55
O=C([O-])C(CC1=CC=CC=C1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300001068055	0	37	-2.0	-91.05	336.93	5.16	-85.89
O=C([O-])C(CC1=CC=CC=C1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300001068055	1	37	-2.0	-91.07	336.99	5.16	-85.91
COCC1=NC=C(C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C(=O)[N-]1	REAL300001068387	1	39	-2.0	-111.30	343.05	3.64	-107.66
O=C([O-])C(CC1=CC=CC=C1)NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300001068435	1	42	-2.0	-112.66	356.26	6.58	-106.08
O=C([O-])C(CC1=CC=CC=C1)NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300001068756	0	34	-2.0	-115.25	331.78	9.09	-106.16
CC1=C(C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300001069069	0	42	-2.0	-116.50	366.23	6.16	-110.34
COC1=CC=C(CNC(=O)C2=CC(C)=CC=C2[N-]S(C)(=O)=O)C=C1C(=O)[O-]	REAL300001069965	0	45	-2.0	-109.45	391.52	5.00	-104.45
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=CC=C(OC)C(C(=O)[O-])=C1	REAL300001070229	0	45	-2.0	-110.39	391.59	5.23	-105.16
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=CC=C(OC)C(C(=O)[O-])=C2)O1	REAL300001070640	1	39	-2.0	-103.41	362.57	1.02	-102.39
COC1=CC=C(CNC(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)C=C1C(=O)[O-]	REAL300001070875	0	42	-2.0	-109.00	370.12	4.33	-104.67
COC1=CC=C(CNC(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)C=C1C(=O)[O-]	REAL300001071204	1	46	-2.0	-110.51	404.30	5.43	-105.08
COC1=CC=C(CNC(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)C=C1C(=O)[O-]	REAL300001071418	0	42	-2.0	-103.96	376.54	4.40	-99.56
COC1=CC=C(CNC(=O)C2=C(C)N=C(C(C)(C)C)[N-]C2=O)C=C1C(=O)[O-]	REAL300001071507	1	48	-2.0	-108.18	394.21	5.81	-102.37
COC1=CC=C(CNC(=O)C2=CC=C([O-])C(F)=C2)C=C1C(=O)[O-]	REAL300001072561	1	35	-2.0	-103.62	315.93	5.25	-98.37
COC1=CC=C(CNC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C=C1C(=O)[O-]	REAL300001072574	1	38	-2.0	-108.62	346.26	7.81	-100.81
COC1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300001072615	0	35	-2.0	-99.80	313.39	3.33	-96.47
COC1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C=C1C(=O)[O-]	REAL300001072615	1	35	-2.0	-99.75	313.44	3.34	-96.41
COC1=CC=C(CNC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C=C1C(=O)[O-]	REAL300001072703	0	41	-2.0	-107.05	371.17	3.35	-103.70
COC1=CC=C(CNC(=O)C2=CN=C(C3CC3)[N-]C2=O)C=C1C(=O)[O-]	REAL300001072739	1	40	-2.0	-106.99	348.99	4.76	-102.23
COC1=CC=C(CNC(=O)C2=CN=CC([O-])=C2)C=C1C(=O)[O-]	REAL300001072783	1	34	-2.0	-103.80	304.78	3.38	-100.42
COC1=CC=C(CNC(=O)C2=NN(C3=CC=C(F)C=C3C)C=C2[O-])C=C1C(=O)[O-]	REAL300001072895	0	45	-2.0	-117.32	398.24	7.49	-109.83
COC1=CC=C(CNC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C=C1C(=O)[O-]	REAL300001072900	0	42	-2.0	-118.47	376.92	6.54	-111.93
COC1=CC=C(CNC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C=C1C(=O)[O-]	REAL300001072946	1	40	-2.0	-119.96	350.08	7.42	-112.54
COC1=CC=C(CNC(=O)C2=NN(C3=CC(C)=CC=C3F)C=C2[O-])C=C1C(=O)[O-]	REAL300001073115	0	45	-2.0	-125.01	395.26	7.12	-117.89
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC2=CC=C(OC)C(C(=O)[O-])=C2)=N1	REAL300001073116	0	48	-2.0	-122.02	404.77	8.26	-113.76
COC1=CC=C(CNC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C=C1C(=O)[O-]	REAL300001073252	0	35	-2.0	-100.40	331.94	5.81	-94.59
COC1=CC=C(CNC(=O)C2=C(OC)C(=O)[N-]C(=O)N2)C=C1C(=O)[O-]	REAL300001073270	1	38	-2.0	-104.23	338.08	0.90	-103.33
COC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300001073370	0	38	-2.0	-104.83	334.88	4.11	-100.72
COC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1C(=O)[O-]	REAL300001073370	1	38	-2.0	-104.81	334.94	4.12	-100.69
COC1=CC=C(CNC(=O)C2=CC=C([O-])C(Cl)=C2)C=C1C(=O)[O-]	REAL300001073410	0	35	-2.0	-100.17	325.73	5.75	-94.42
CCOC1=CC(C(=O)NCC2=CC=C(OC)C(C(=O)[O-])=C2)=CC(Cl)=C1[O-]	REAL300001073414	1	42	-2.0	-104.77	376.78	6.78	-97.99
COC1=CC=C(N2C=C([O-])C(C(=O)NCC3=CC=C(OC)C(C(=O)[O-])=C3)=N2)C=C1	REAL300001073423	0	46	-2.0	-121.07	399.99	5.77	-115.30
C[N-]S(=O)(=O)C1=CC(C(=O)NCC2=CC=C(OC)C(C(=O)[O-])=C2)=CO1	REAL300001073447	1	39	-2.0	-104.29	361.71	1.00	-103.29
COC1=CC=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1C(=O)[O-]	REAL300001073615	0	38	-2.0	-97.03	345.47	3.89	-93.14
COC1=CC=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1C(=O)[O-]	REAL300001073615	1	38	-2.0	-96.92	345.54	3.90	-93.02
COC1=CC=C(CNC(=O)C2=C[N-]N=CC2=O)C=C1C(=O)[O-]	REAL300001073914	0	33	-2.0	-97.34	296.99	3.80	-93.54
COCC1=NC=C(C(=O)NCC2=CC=C(OC)C(C(=O)[O-])=C2)C(=O)[N-]1	REAL300001073950	1	40	-2.0	-106.38	350.83	2.40	-103.98
COC1=CC=C(CNC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C=C1C(=O)[O-]	REAL300001074000	1	43	-2.0	-107.08	364.74	5.30	-101.78
COC1=CC=C(CNC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C=C1C(=O)[O-]	REAL300001074326	0	35	-2.0	-105.50	340.34	7.84	-97.66
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC(CC(=O)[O-])C2=CC=CC=C2)C=C1	REAL300001075757	1	46	-2.0	-106.96	405.34	11.62	-95.34
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC(=O)[O-])C2=CC=CC=C2)O1	REAL300001076110	1	47	-2.0	-100.77	409.66	4.74	-96.03
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC(=O)[O-])C2=CC=CC=C2)O1	REAL300001076111	1	38	-2.0	-99.24	354.21	2.34	-96.90
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(CC(=O)[O-])C2=CC=CC=C2)=CS1	REAL300001076595	1	45	-2.0	-113.60	388.88	6.08	-107.52
CC1=C(CC(=O)NC(CC(=O)[O-])C2=CC=CC=C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001076789	1	47	-2.0	-124.09	406.79	6.95	-117.14
O=C([O-])CC(NC(=O)C1=CC=C([O-])C(F)=C1)C1=CC=CC=C1	REAL300001077685	1	34	-2.0	-99.99	300.57	5.91	-94.08
O=C([O-])CC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1=CC=CC=C1	REAL300001077694	1	37	-2.0	-115.33	330.91	8.43	-106.90
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(CC(=O)[O-])C2=CC=CC=C2)C=N1	REAL300001077779	0	40	-2.0	-105.92	362.73	4.83	-101.09
O=C([O-])CC(NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C1=CC=CC=C1	REAL300001077804	1	39	-2.0	-117.29	331.09	6.51	-110.78
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC(CC(=O)[O-])C3=CC=CC=C3)=N2)=C1	REAL300001077854	0	50	-2.0	-126.96	415.40	9.03	-117.93
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(CC(=O)[O-])C3=CC=CC=C3)=N2)C=C1	REAL300001077855	0	50	-2.0	-128.72	422.34	9.73	-118.99
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(CC(=O)[O-])C2=CC=CC=C2)=N1	REAL300001077920	0	44	-2.0	-122.29	382.06	8.16	-114.13
O=C([O-])CC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1=CC=CC=C1	REAL300001077925	0	41	-2.0	-123.90	361.55	7.18	-116.72
O=C([O-])CC(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=CC=CC=C1	REAL300001077952	1	39	-2.0	-130.29	341.63	8.89	-121.40
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(CC(=O)[O-])C3=CC=CC=C3)=N2)=C1	REAL300001078088	0	44	-2.0	-130.56	379.89	7.76	-122.80
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CC(=O)[O-])C2=CC=CC=C2)=N1	REAL300001078089	0	47	-2.0	-128.01	396.39	8.87	-119.14
CC1=C(CC(=O)NC(CC(=O)[O-])C2=CC=CC=C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001078146	1	47	-2.0	-122.88	406.06	6.90	-115.98
O=C([O-])CC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=CC=CC=C1	REAL300001078199	0	34	-2.0	-94.36	316.69	6.49	-87.87
COC1=C(C(=O)NC(CC(=O)[O-])C2=CC=CC=C2)NC(=O)[N-]C1=O	REAL300001078209	1	37	-2.0	-99.27	329.43	2.31	-96.96
O=C([O-])CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL300001078283	0	37	-2.0	-105.79	319.50	4.74	-101.05
O=C([O-])CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL300001078283	1	37	-2.0	-105.79	319.56	4.75	-101.04
O=C([O-])CC(NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=CC=CC=C1	REAL300001078312	0	34	-2.0	-96.88	310.37	6.39	-90.49
CCOC1=CC(C(=O)NC(CC(=O)[O-])C2=CC=CC=C2)=CC(Cl)=C1[O-]	REAL300001078315	1	41	-2.0	-103.03	368.34	8.26	-94.77
COC1=CC=C(N2C=C([O-])C(C(=O)NC(CC(=O)[O-])C3=CC=CC=C3)=N2)C=C1	REAL300001078321	0	45	-2.0	-128.36	391.63	7.10	-121.26
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CC(=O)[O-])C2=CC=CC=C2)=CO1	REAL300001078336	1	38	-2.0	-100.39	353.27	2.46	-97.93
O=C([O-])CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=C1	REAL300001078472	0	37	-2.0	-92.29	337.03	5.37	-86.92
O=C([O-])CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=C1	REAL300001078472	1	37	-2.0	-92.35	337.09	5.37	-86.98
COCC1=NC=C(C(=O)NC(CC(=O)[O-])C2=CC=CC=C2)C(=O)[N-]1	REAL300001078727	1	39	-2.0	-116.15	333.19	4.10	-112.05
O=C([O-])CC(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1=CC=CC=C1	REAL300001078769	1	42	-2.0	-102.83	348.22	5.91	-96.92
O=C([O-])CC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=CC=CC=C1	REAL300001079010	0	34	-2.0	-110.58	325.01	8.49	-102.09
O=C([O-])CC1=CSC([N-]C(=O)C2(C3=CC=C(Cl)C=C3)CCCC2)=N1	REAL300001079516	1	39	-2.0	-114.35	347.77	8.70	-105.65
O=C([O-])CC1=CSC([N-]C(=O)CC2=CC=CC(C(F)(F)F)=C2)=N1	REAL300001079520	1	32	-2.0	-105.77	314.83	6.61	-99.16
CC1=CC(Cl)=CC=C1OCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001079521	1	33	-2.0	-105.75	321.82	6.65	-99.10
CC(OC1=CC=CC=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001079523	1	33	-2.0	-109.50	302.66	6.03	-103.47
COC1=CC=CC(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1	REAL300001079524	1	33	-2.0	-110.19	305.59	4.92	-105.27
COC1=CC=C(OCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001079525	1	34	-2.0	-108.22	314.51	4.70	-103.52
CC1=CC=CC(OCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1	REAL300001079526	1	33	-2.0	-109.60	306.42	6.10	-103.50
COC1=CC=CC=C1OCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001079527	1	34	-2.0	-114.53	314.27	5.18	-109.35
N#CC1=CC=C(OCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001079528	1	31	-2.0	-105.59	305.83	5.83	-99.76
CCOC1=CC=CC=C1OCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001079529	1	37	-2.0	-115.10	336.12	6.10	-109.00
CC1=CC(OCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=CC=C1Cl	REAL300001079530	1	33	-2.0	-105.75	320.47	6.53	-99.22
O=C([O-])CC1=CSC([N-]C(=O)CCCOC2=CC=CC=C2)=N1	REAL300001079531	1	36	-2.0	-108.39	327.46	6.01	-102.38
CCOC1=CC=C(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001079537	1	36	-2.0	-107.79	327.46	5.84	-101.95
O=C([O-])CC1=CSC([N-]C(=O)CCC(=O)C2=CC=CC=C2)=N1	REAL300001079538	1	34	-2.0	-110.43	317.72	6.25	-104.18
O=C([O-])CC1=CSC([N-]C(=O)CC2=CC=CC=C2Cl)=N1	REAL300001079539	1	29	-2.0	-110.00	289.97	6.04	-103.96
CC1=CC=C(OCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001079540	1	33	-2.0	-109.24	306.42	6.10	-103.14
COC1=CC=CC=C1CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001079541	1	33	-2.0	-112.83	304.42	4.98	-107.85
COC1=CC=C(CCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1OC	REAL300001079542	1	40	-2.0	-109.13	356.25	5.62	-103.51
COC1=CC=CC=C1CCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001079543	1	36	-2.0	-112.13	325.82	5.78	-106.35
O=C([O-])CC1=CSC([N-]C(=O)CC2=COC3=CC4=C(C=C23)CCC4)=N1	REAL300001079544	1	39	-2.0	-112.75	349.54	7.89	-104.86
O=C([O-])CC1=CSC([N-]C(=O)COC2=CC=C(F)C=C2)=N1	REAL300001079549	1	30	-2.0	-105.24	291.42	5.48	-99.76
O=C([O-])CC1=CSC([N-]C(=O)CCC2=CC=CC=C2F)=N1	REAL300001079551	1	32	-2.0	-110.53	303.06	6.46	-104.07
O=C([O-])CC1=CSC([N-]C(=O)C2COC3=CC=CC=C3C2)=N1	REAL300001079559	1	34	-2.0	-107.07	307.00	5.47	-101.60
COC1=CC(C#N)=CC=C1OCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001079560	1	35	-2.0	-109.69	335.05	5.58	-104.11
CN1N=C(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C2=CC=CC=C2C1=O	REAL300001079562	1	34	-2.0	-110.64	317.05	4.37	-106.27
O=C([O-])CC1=CSC([N-]C(=O)CC2=C(F)C=CC=C2Cl)=N1	REAL300001079565	1	29	-2.0	-111.87	295.46	6.07	-105.80
COC1=CC=C(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001079573	1	33	-2.0	-107.90	305.60	4.92	-102.98
O=C([O-])CC1=CSC([N-]C(=O)COC2=CC=CC(Br)=C2)=N1	REAL300001079574	1	30	-2.0	-106.81	306.31	6.04	-100.77
O=C([O-])CC1=CSC([N-]C(=O)COC2=CC=C(Cl)C=C2)=N1	REAL300001079577	1	30	-2.0	-105.35	301.74	5.94	-99.41
CC1=CC=CC=C1OCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001079579	1	33	-2.0	-109.75	305.10	6.14	-103.61
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CC1=CC(C)=CC(OCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1	REAL300001079581	1	36	-2.0	-110.06	327.83	6.75	-103.31
CC1=CC=C(Cl)C(OCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1	REAL300001079582	1	33	-2.0	-110.19	322.45	6.63	-103.56
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CCCOC1=CC=C(OCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001079584	1	40	-2.0	-107.70	357.87	6.43	-101.27
CCOC1=CC=C(OCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001079585	1	37	-2.0	-108.05	336.37	5.63	-102.42
CC1=CC=C(OC(C)C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001079586	1	36	-2.0	-109.58	324.07	6.71	-102.87
O=C([O-])CC1=CSC([N-]C(=O)COC2=CC=C(F)C=C2Br)=N1	REAL300001079587	1	30	-2.0	-105.26	311.84	6.13	-99.13
O=C([O-])CC1=CSC([N-]C(=O)CCC2=CC=CC=C2Cl)=N1	REAL300001079588	1	32	-2.0	-109.32	310.16	6.79	-102.53
CC(OC1=CC=C(F)C=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001079589	1	33	-2.0	-105.51	309.07	6.09	-99.42
O=C([O-])CC1=CSC([N-]C(=O)C2(C3=CC=CC=C3)CCOCC2)=N1	REAL300001079591	1	40	-2.0	-109.74	333.68	6.47	-103.27
O=C([O-])CC1=CSC([N-]C(=O)C2(C3=CC=C(F)C=C3)CCOCC2)=N1	REAL300001079592	1	40	-2.0	-106.51	340.10	6.54	-99.97
O=C([O-])CC1=CSC([N-]C(=O)C2(C3=CC=CC(F)=C3)CCOCC2)=N1	REAL300001079593	1	40	-2.0	-103.75	340.10	6.54	-97.21
O=C([O-])CC1=CSC([N-]C(=O)C2(C3=CC=CC(Cl)=C3)CCOCC2)=N1	REAL300001079594	1	40	-2.0	-104.24	350.43	6.99	-97.25
COC1=CC=C(C2(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)CCOCC2)C=C1	REAL300001079595	1	44	-2.0	-111.25	363.15	5.77	-105.48
O=C([O-])CC1=CSC([N-]C(=O)C2(C3=CC=CC=C3Cl)CCOCC2)=N1	REAL300001079596	1	40	-2.0	-109.29	344.21	6.13	-103.16
O=C([O-])CC1=CSC([N-]C(=O)CCC2=CC=C(F)C=C2)=N1	REAL300001079597	1	32	-2.0	-104.88	303.90	6.49	-98.39
CC1=CC(=O)C(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=NN1C1=CC=CC=C1	REAL300001079598	1	38	-2.0	-130.62	348.66	7.49	-123.13
CC(=O)N1CCC2=CC=CC=C2C1CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001079599	1	43	-2.0	-121.13	357.10	7.45	-113.68
CC(C)(C)C(=O)N1CCCC(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C1	REAL300001079600	1	45	-2.0	-117.03	363.45	5.43	-111.60
C=CCC1=CC=C(OCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C(OC)=C1	REAL300001079602	1	41	-2.0	-113.91	369.96	7.17	-106.74
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CC1=CC=C(C2=NC(CC(=O)[N-]C3=NC(CC(=O)[O-])=CS3)=CS2)O1	REAL300001079614	1	35	-2.0	-120.56	344.21	5.45	-115.11
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O=C([O-])CC1=CSC([N-]C(=O)CCC(=O)N2CCC3=C(C=CS3)C2)=N1	REAL300001079625	1	40	-2.0	-109.93	364.05	6.24	-103.69
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CC(CC1=CC=CC(C(F)(F)F)=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001080019	1	38	-2.0	-106.88	352.60	7.90	-98.98
CC(C)(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=CC(Cl)=C1	REAL300001080022	1	35	-2.0	-109.84	325.45	7.09	-102.75
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CC(C)CNC(=O)N1CCCC(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C1	REAL300001080043	1	50	-2.0	-122.95	407.40	5.98	-116.97
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CC(C)COC1=CC=C(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001080052	1	42	-2.0	-107.54	369.06	7.34	-100.20
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CC(C)COC1=CC=C(C(C)(C)C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001080057	1	48	-2.0	-110.19	401.65	8.30	-101.89
COC1=CC=CC=C1CC(C)CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001080058	1	42	-2.0	-110.05	356.04	7.18	-102.87
CC(OC1=CC=CC=C1Br)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001080059	1	33	-2.0	-110.09	323.33	6.63	-103.46
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COC1=CC=C(C(C)C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001080062	1	36	-2.0	-108.53	322.52	5.46	-103.07
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CCOC1=CC=C(CCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001080156	1	39	-2.0	-107.64	348.86	6.65	-100.99
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CCC(CC1CCCC1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001080161	1	41	-2.0	-108.60	334.46	8.14	-100.46
CCCC(CC1CCCC1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001080162	1	44	-2.0	-109.14	355.91	8.91	-100.23
CC1=NN(C)C=C1CCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001080163	1	35	-2.0	-109.82	321.03	4.76	-105.06
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CC1=CC=CC=C1C(C)CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001080165	1	38	-2.0	-107.98	328.45	7.40	-100.58
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CC1=C2NC=C(CC(=O)[N-]C3=NC(CC(=O)[O-])=CS3)C2=CC=C1	REAL300001080171	1	36	-2.0	-113.43	329.22	6.32	-107.11
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CN1C(=O)NC=C(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C1=O	REAL300001080174	1	29	-2.0	-119.28	280.86	1.91	-117.37
CCC(NC1=C([N+](=O)[O-])C(C)=NN1C)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001080180	1	42	-2.0	-103.41	373.18	4.27	-99.14
CN1C(=O)CC(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C1C1=CC=CC(Cl)=C1	REAL300001080182	1	40	-2.0	-103.35	369.23	6.75	-96.60
CCC(CC1=CC=CC(Br)=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001080184	1	38	-2.0	-106.79	350.94	9.07	-97.72
CC(CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=CC(F)=C1	REAL300001080187	1	35	-2.0	-106.01	317.34	6.93	-99.08
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CC(CCC1=CC=CC=C1F)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001080189	1	38	-2.0	-112.55	341.74	7.76	-104.79
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CC(C)S(=O)(=O)CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001080195	1	31	-2.0	-118.58	296.14	1.10	-117.48
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COC1=CC(C2(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)CCCC2)=CC=C1C	REAL300001080199	1	46	-2.0	-115.38	379.64	8.28	-107.10
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CC1=CC=C(CCC(=O)NCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001080201	1	42	-2.0	-105.99	377.87	5.60	-100.39
CC1=CC=CC=C1COC1=CC=CC(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1	REAL300001080205	1	46	-2.0	-112.43	403.53	9.58	-102.85
CC(C)COC1=CC=C(C2(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)CCC2)C=C1	REAL300001080207	1	49	-2.0	-115.12	406.66	9.66	-105.46
CC1CCCCC1OCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001080208	1	39	-2.0	-110.33	330.30	6.28	-104.05
CC1=C(Cl)C=CC=C1OCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001080210	1	33	-2.0	-106.92	319.14	6.56	-100.36
O=C([O-])CC1=CSC([N-]C(=O)CCC2=NN=CN2C2=CC=CC=C2)=N1	REAL300001080211	1	38	-2.0	-111.68	348.96	8.64	-103.04
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CC(OC1=CC=C(C(C)(C)C)C=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001080364	1	45	-2.0	-109.13	378.83	8.34	-100.79
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CC(=O)C1=CC=CC(OCCCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1	REAL300001080380	1	41	-2.0	-115.27	367.96	6.41	-108.86
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CC(C)C(NC(=O)C1=CC=CC=C1Cl)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001081113	1	42	-2.0	-108.57	376.90	7.19	-101.38
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CCOC1=CC=CC=C1CCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001081117	1	39	-2.0	-112.73	347.67	6.71	-106.02
CC(C)(C)C1=CC=C(CCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001081118	1	44	-2.0	-107.61	373.70	8.75	-98.86
CC(C)C(NC(=O)C1=CC=CS1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001081121	1	39	-2.0	-106.95	351.47	5.39	-101.56
CC(CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1)NC(=O)C1=CC=CC=C1	REAL300001081126	1	39	-2.0	-111.40	351.93	5.22	-106.18
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CC(C)C1=CC=C(OCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001081128	1	39	-2.0	-108.75	345.22	7.35	-101.40
CC(=O)NC1=CC=C(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001081131	1	36	-2.0	-113.92	332.47	4.50	-109.42
CC(C)(C)C1=CC=CC=C1OCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001081132	1	42	-2.0	-110.28	356.19	7.95	-102.33
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CC(C)(C)CC(=O)N1CSCC1C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001081163	1	43	-2.0	-114.46	368.99	6.56	-107.90
CCCCC(=O)N1CSCC1C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001081164	1	40	-2.0	-115.67	358.80	6.36	-109.31
CC(C)OC1=CC=CC=C1CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001081166	1	39	-2.0	-114.37	344.17	6.53	-107.84
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CC(C)CCC(=O)NCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001081171	1	38	-2.0	-105.38	335.62	3.19	-102.19
CC1CC(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC(C)(C)C1	REAL300001081172	1	44	-2.0	-108.27	350.75	7.40	-100.87
CC(OC1=CC=CC=C1C(F)(F)F)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001081173	1	36	-2.0	-112.58	340.36	7.03	-105.55
CC(OC1=CC(Cl)=CC(Cl)=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001081174	1	33	-2.0	-104.17	336.34	7.01	-97.16
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CC(C)C(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)S(=O)(=O)C1CCCCC1	REAL300001081176	1	47	-2.0	-108.10	383.73	5.71	-102.39
CCSC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C(C)C	REAL300001081177	1	35	-2.0	-109.02	313.09	6.13	-102.89
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CC(C)CC(=O)NC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=CC=C1	REAL300001081181	1	45	-2.0	-109.62	392.70	6.57	-103.05
CC(C)(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=CC(C(F)(F)F)=C1	REAL300001081182	1	38	-2.0	-109.44	347.43	7.57	-101.87
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CC(C)(C)C1=CC=C(CCCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001081185	1	47	-2.0	-108.01	395.19	9.53	-98.48
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CC(C)C(CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=CC=C1	REAL300001081195	1	41	-2.0	-107.59	348.47	7.92	-99.67
CC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=C2OCCOC2=C1	REAL300001081196	1	38	-2.0	-110.25	337.49	5.31	-104.94
CCC(CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=CC=C1	REAL300001081197	1	38	-2.0	-107.93	330.63	7.51	-100.42
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CC1=CC=C(OCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C(C)=C1	REAL300001081207	1	36	-2.0	-109.81	326.49	6.80	-103.01
CC1=CC(NC(=O)CSCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=NO1	REAL300001081216	1	36	-2.0	-113.16	350.20	4.44	-108.72
CC(SCC(=O)NC1=CC=C(F)C=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001081220	1	40	-2.0	-116.01	378.84	5.89	-110.12
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=NC(CC(=O)[O-])=CS1	REAL300001081222	0	34	-2.0	-99.51	322.53	3.15	-96.36
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CS(=O)(=O)N1CCCC1C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001081224	1	34	-2.0	-122.60	313.32	1.98	-120.62
O=C([O-])CC1=CSC([N-]C(=O)COC2=CC=CC(Cl)=C2)=N1	REAL300001081225	1	30	-2.0	-106.83	301.74	5.94	-100.89
CC(SCC1=CC=CC=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001081229	1	36	-2.0	-109.44	339.07	7.57	-101.87
CC(SC1=CC(Cl)=CC=C1Cl)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001081230	1	33	-2.0	-107.10	345.01	7.51	-99.59
CC(C)C1=CC=C(SCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001081231	1	39	-2.0	-107.38	354.81	8.00	-99.38
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CC(OC1=CC=CC(C(C)(C)C)=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001081240	1	45	-2.0	-110.22	378.83	8.34	-101.88
CC1=CC(OC(C)C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=CC=C1Cl	REAL300001081244	1	36	-2.0	-106.07	338.33	7.09	-98.98
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CC(C)(CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=CC=C1	REAL300001081256	1	38	-2.0	-107.27	321.49	7.18	-100.09
CC(C)(C)C(=O)N1CCCC1C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001081257	1	42	-2.0	-123.06	344.97	5.99	-117.07
CC12CCC(=O)N1C(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)CS2	REAL300001081258	1	35	-2.0	-117.38	318.49	5.25	-112.13
CC(C)C(SCC1=CC=CC=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001081259	1	42	-2.0	-109.75	376.36	9.41	-100.34
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COC1=CC=C(C(C)(C)C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1OC	REAL300001081269	1	43	-2.0	-111.35	367.40	5.78	-105.57
COC1=CC=CC=C1C(C)(C)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001081270	1	39	-2.0	-113.72	333.46	6.88	-106.84
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CCOCCC1(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CCCC1	REAL300001081272	1	42	-2.0	-110.04	348.39	6.65	-103.39
CC1=CC(CCCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C(C)S1	REAL300001081273	1	38	-2.0	-107.64	348.69	7.60	-100.04
CC1=CC=C2CC(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)SC2=C1	REAL300001081274	1	34	-2.0	-110.93	320.52	7.12	-103.81
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COC1=CC(CCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=CC(OC)=C1OC	REAL300001081279	1	44	-2.0	-108.47	389.40	5.54	-102.93
CC(C)(C)C1CCC(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC1	REAL300001081281	1	44	-2.0	-108.63	347.03	7.18	-101.45
CC1=CC(OCCCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=CC=C1Cl	REAL300001081282	1	39	-2.0	-106.39	362.91	7.12	-99.27
CC(C)C(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=C(Cl)C=C1	REAL300001081283	1	38	-2.0	-105.29	344.29	8.82	-96.47
CC(C)(C)C1=CC=C(OCCCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001081284	1	48	-2.0	-108.00	403.63	8.34	-99.66
CC(C)(C)OC(=O)N1CCCC1C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001081288	1	43	-2.0	-119.49	365.38	5.29	-114.20
CCC(OC1=CC=CC=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001081289	1	36	-2.0	-110.41	318.04	6.59	-103.82
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CCC1=CC=CC(OCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1	REAL300001081293	1	36	-2.0	-109.58	327.91	6.86	-102.72
CCC1=CC=C2C(CC(=O)[N-]C3=NC(CC(=O)[O-])=CS3)=COC2=C1	REAL300001081295	1	38	-2.0	-110.74	346.87	7.42	-103.32
CC(C)C1=CC=CC=C1OCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001081297	1	39	-2.0	-111.22	343.63	7.39	-103.83
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CC(C)(C)OC(=O)N1CCCCC1C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001081308	1	46	-2.0	-123.80	375.72	6.29	-117.51
CC(NC(=O)OC(C)(C)C)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001081309	1	39	-2.0	-105.01	341.03	2.67	-102.34
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CC(C)C(NC(=O)OC(C)(C)C)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001081311	1	45	-2.0	-105.74	372.11	4.08	-101.66
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CC(C)(C)OC(=O)NCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001081313	1	36	-2.0	-104.31	320.47	1.76	-102.55
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CC(C)(C)OC(=O)N[C@H](C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=CC=C1	REAL300001081318	1	46	-2.0	-109.44	399.85	5.99	-103.45
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CC(C)(C)OC(=O)NC1(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CCCC1	REAL300001081327	1	46	-2.0	-118.21	374.41	5.28	-112.93
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CC(OC1=CC=CC=C1F)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001081330	1	33	-2.0	-112.92	309.13	6.05	-106.87
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CC1=NN(C)C(C)=C1OCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001081340	1	36	-2.0	-111.49	332.95	4.36	-107.13
COC1=CC=C(OCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1C	REAL300001081343	1	37	-2.0	-108.73	334.58	5.46	-103.27
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CC(C)COC1=CC=CC(OCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1	REAL300001081347	1	43	-2.0	-110.39	377.96	7.14	-103.25
COC1(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CCN(C(=O)OC(C)(C)C)CC1	REAL300001081350	1	50	-2.0	-106.70	395.38	7.20	-99.50
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CC(C)C(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=CC(Cl)=C1	REAL300001081423	1	38	-2.0	-105.35	344.29	8.81	-96.54
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COC1=CC=CC(OC)=C1CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001081452	1	37	-2.0	-118.35	332.41	4.36	-113.99
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CCC(OC1CCCC(C)C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001081458	1	45	-2.0	-110.76	367.94	7.47	-103.29
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COC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=CC=C1	REAL300001081737	1	33	-2.0	-109.38	308.25	5.67	-103.71
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CC(CC1=CC=CC(Cl)=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001081754	1	35	-2.0	-106.62	330.59	7.42	-99.20
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CC(C)CC1=CC(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=CC(=O)N1	REAL300001081757	1	38	-2.0	-110.50	340.36	4.55	-105.95
CC(C)(C)C(NS(C)(=O)=O)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001081760	1	39	-2.0	-103.32	343.80	1.60	-101.72
O=C([O-])CC1=CSC([N-]C(=O)CC(=O)NCC(F)(F)F)=N1	REAL300001081764	1	29	-2.0	-109.97	292.98	2.86	-107.11
O=C([O-])CC1=CSC([N-]C(=O)CC2=CC3=C(C=CC4=C3C=CC=C4)O2)=N1	REAL300001081766	1	38	-2.0	-114.64	350.61	8.44	-106.20
CC1=CC(N2CC(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)CC2=O)=CC=C1F	REAL300001081767	1	40	-2.0	-108.21	357.43	6.61	-101.60
CCOC1=CC=CC=C1C(F)(F)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001081768	0	36	-2.0	-117.67	335.39	6.06	-111.61
CC1=NN(CC(F)(F)F)C(C)=C1CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001081770	1	38	-2.0	-109.22	357.35	5.64	-103.58
O=C([O-])CC1=CSC([N-]C(=O)C2=NN(C3=CC=CC=C3F)C(=O)C=C2)=N1	REAL300001081782	1	35	-2.0	-115.29	341.69	5.57	-109.72
O=C([O-])CC1=CSC([N-]C(=O)C2CC(=O)N(C3=CC=C(Cl)C(F)=C3)C2)=N1	REAL300001081788	1	37	-2.0	-101.08	353.37	6.46	-94.62
CCNS(=O)(=O)C1=CC=C(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001081790	1	40	-2.0	-111.38	373.74	2.65	-108.73
O=C([O-])CC1=CSC([N-]C(=O)CSC2=CC=C(Cl)C=C2[N+](=O)[O-])=N1	REAL300001081793	1	32	-2.0	-107.91	334.95	7.12	-100.79
CC(C)NC(=O)N1CCC[C@H]1C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001081797	1	41	-2.0	-127.01	354.62	3.80	-123.21
COC1=C2C(CC(=O)[N-]C3=NC(CC(=O)[O-])=CS3)=CNC2=CC=C1	REAL300001081799	1	37	-2.0	-117.02	336.15	5.01	-112.01
O=C([O-])CC1=CSC([N-]C(=O)C2COC3=CC=C(Br)C=C32)=N1	REAL300001081801	1	31	-2.0	-107.30	311.19	5.24	-102.06
O=C([O-])CC1=CSC([N-]C(=O)CCC2=CC(F)=CC=C2Br)=N1	REAL300001081802	1	32	-2.0	-106.77	321.11	6.97	-99.80
O=C([O-])CC1=CSC([N-]C(=O)C2(C3=CC=C(F)C=C3F)CCC2)=N1	REAL300001081803	1	36	-2.0	-106.45	321.93	7.74	-98.71
O=C([O-])CC1=CSC([N-]C(=O)C2(C3=CC=C(F)C=C3F)CCCC2)=N1	REAL300001081804	1	39	-2.0	-107.07	337.79	8.15	-98.92
CCS(=O)(=O)C1=CC=C(CCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001081805	1	41	-2.0	-113.74	379.66	4.85	-108.89
CC(C)C(OC1=CC=CC(Cl)=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001081808	1	39	-2.0	-107.87	349.83	8.54	-99.33
CN(CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1)S(=O)(=O)C1=CC=CN=C1	REAL300001081812	1	36	-2.0	-115.22	346.38	1.53	-113.69
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1=NC(CC(=O)[O-])=CS1	REAL300001081815	0	34	-2.0	-94.59	328.94	3.21	-91.38
O=C([O-])CC1=CSC([N-]C(=O)CCCC2=NC(C3=CC=C(F)C=C3)=NO2)=N1	REAL300001081817	1	40	-2.0	-108.64	376.30	5.91	-102.73
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=NC(CC(=O)[O-])=CS1	REAL300001081821	1	40	-2.0	-101.10	365.49	4.84	-96.26
C[C@H](NC(=O)C1CCCCC1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001081822	1	42	-2.0	-106.75	356.78	4.54	-102.21
CC(CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=C(F)C=C1F	REAL300001081824	1	35	-2.0	-105.97	322.38	6.95	-99.02
CC(C)S(=O)(=O)C1=CC=C(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001081832	1	41	-2.0	-114.08	375.64	4.63	-109.45
CC(C)[C@H]1CC[C@H](C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC1	REAL300001081840	1	41	-2.0	-108.33	334.17	6.92	-101.41
CC1=CC(C)=CC(CCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1	REAL300001081842	1	38	-2.0	-108.38	340.31	7.75	-100.63
O=C([O-])CC1=CSC([N-]C(=O)CC2=CC=C([N+](=O)[O-])C=C2Cl)=N1	REAL300001081844	1	31	-2.0	-102.36	318.54	6.73	-95.63
O=C([O-])CC1=CSC([N-]C(=O)CCC(=O)C2=CC=CS2)=N1	REAL300001081852	1	31	-2.0	-110.21	308.60	5.34	-104.87
CC1=CC=C(C)C(C(=O)CCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1	REAL300001081853	1	40	-2.0	-110.32	355.05	7.60	-102.72
CCC1=CC=C(C(=O)CCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001081854	1	40	-2.0	-109.93	360.60	7.69	-102.24
CC1=CC(C(=O)CCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C(C)S1	REAL300001081855	1	37	-2.0	-109.75	347.94	6.82	-102.93
O=C([O-])CC1=CSC([N-]C(=O)CCC(=O)C2=CC=C3CCCC3=C2)=N1	REAL300001081856	1	41	-2.0	-110.81	363.26	8.16	-102.65
COC1=CC=C(OC)C(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1	REAL300001081857	1	37	-2.0	-114.74	333.88	4.25	-110.49
COC1=CC=C(C(=O)CCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001081859	1	38	-2.0	-109.91	347.02	5.57	-104.34
COC1=CC=C(C(=O)CCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1F	REAL300001081862	1	38	-2.0	-110.65	353.31	5.65	-105.00
CCCC1=CC=C(N2CC(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)CC2=O)C=C1	REAL300001081866	1	46	-2.0	-104.64	394.64	8.10	-96.54
COC1=CC=C(C(=O)CCCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001081868	1	41	-2.0	-115.13	368.51	6.35	-108.78
CO[C@@H](C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=CC=C1	REAL300001081872	1	33	-2.0	-109.42	308.25	5.67	-103.75
CC1=CC=CC(C)=C1CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001081877	1	35	-2.0	-109.53	310.19	6.65	-102.88
CCCCCCC(CC)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001081878	1	43	-2.0	-108.91	358.17	7.79	-101.12
CCC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=C(OC)C=C1	REAL300001081880	1	39	-2.0	-109.20	342.08	6.15	-103.05
CC1=CC=C(CC(C)C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001081881	1	38	-2.0	-108.45	335.33	7.58	-100.87
O=C([O-])CC1=CSC([N-]C(=O)C2CC23CCC2=CC=CC=C23)=N1	REAL300001081884	1	37	-2.0	-112.10	324.35	8.03	-104.07
O=C([O-])CC1=CSC([N-]C(=O)C2CC23CCS(=O)(=O)CC3)=N1	REAL300001081885	1	36	-2.0	-115.89	325.89	2.47	-113.42
CCOC1=CC=C(C(C)(C)C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1OCC	REAL300001081887	1	49	-2.0	-112.50	411.15	7.61	-104.89
CCC1=CC=C(C(C)(C)C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001081889	1	41	-2.0	-110.67	351.61	8.02	-102.65
CCC(CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=C(OC)C=C1	REAL300001081892	1	42	-2.0	-107.90	360.12	6.81	-101.09
CC1=NN(C)C(=O)C(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1C	REAL300001081901	1	34	-2.0	-125.39	305.83	3.83	-121.56
CC1=C(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C(=O)NC(C(C)(C)C)=N1	REAL300001081902	1	40	-2.0	-125.66	348.58	4.88	-120.78
O=C([O-])CC1=CSC([N-]C(=O)COC2=CC=C(OC3=CC=CC=N3)C=C2)=N1	REAL300001081903	1	40	-2.0	-111.39	371.46	5.79	-105.60
O=C([O-])CC1=CSC([N-]C(=O)CC2=CC=C(F)C(F)=C2)=N1	REAL300001081906	1	29	-2.0	-103.07	288.79	5.74	-97.33
O=C([O-])CC1=CSC([N-]C(=O)CC2=C(F)C=CC=C2F)=N1	REAL300001081907	1	29	-2.0	-113.61	286.72	5.67	-107.94
CC1=CC(C)=C(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C(C)=C1	REAL300001081910	1	38	-2.0	-109.99	331.60	7.32	-102.67
O=C([O-])CC1=CSC([N-]C(=O)CC2=CSC3=CC=C(Cl)C=C23)=N1	REAL300001081915	1	32	-2.0	-108.65	329.22	7.49	-101.16
O=C([O-])CC1=CSC([N-]C(=O)CC2=CC=CC(F)=C2F)=N1	REAL300001081918	1	29	-2.0	-112.52	287.81	5.72	-106.80
O=C([O-])CC1=CSC([N-]C(=O)CC2=CC=C(F)C=C2F)=N1	REAL300001081920	1	29	-2.0	-107.52	287.91	5.73	-101.79
O=C([O-])CC1=CSC([N-]C(=O)CC2=CC=CC3=CC=CN=C32)=N1	REAL300001081933	1	34	-2.0	-118.87	316.09	6.14	-112.73
O=C([O-])CC1=CSC([N-]C(=O)CN2C3=CC=CC=C3C(=O)C3=CC=CC=C32)=N1	REAL300001081934	1	41	-2.0	-113.45	368.03	8.53	-104.92
CCS(=O)(=O)C1=CC=CC(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1	REAL300001081937	1	38	-2.0	-117.66	358.24	4.03	-113.63
CC1=NN(CC(F)(F)F)C(C)=C1C(C)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001081938	1	41	-2.0	-109.30	366.81	5.98	-103.32
O=C([O-])CC1=CSC([N-]C(=O)COC2=CC=CC=C2Br)=N1	REAL300001081946	1	30	-2.0	-109.66	305.44	6.07	-103.59
O=C([O-])CC1=CSC([N-]C(=O)CNC(=O)COC2=CC=CC=C2)=N1	REAL300001081952	1	37	-2.0	-108.49	343.98	4.01	-104.48
CC(NC(=O)C1=CC=CO1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001081953	1	33	-2.0	-108.24	315.23	2.30	-105.94
O=C([O-])CC1=CSC([N-]C(=O)CCNS(=O)(=O)C=CC2=CC=CC=C2)=N1	REAL300001081956	1	41	-2.0	-111.41	384.15	3.16	-108.25
O=C([O-])CC1=CSC([N-]C(=O)CCNS(=O)(=O)C2=CC=CC=C2)=N1	REAL300001081959	1	37	-2.0	-110.33	352.24	1.98	-108.35
O=C([O-])CC1=CSC([N-]C(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)=N1	REAL300001081960	1	50	-2.0	-106.28	390.00	6.02	-100.26
O=C([O-])CC1=CSC([N-]C(=O)C23CCC(=O)N2C2=CC=CC=C2S3)=N1	REAL300001081961	1	36	-2.0	-111.77	341.88	6.22	-105.55
O=C([O-])CC1=CSC([N-]C(=O)CC2OC3=CC=CC=C3NC2=O)=N1	REAL300001081966	1	35	-2.0	-112.16	324.41	3.61	-108.55
O=C([O-])CC1=CSC([N-]C(=O)C2CCCCS2(=O)=O)=N1	REAL300001081969	1	32	-2.0	-124.07	297.71	1.26	-122.81
CC1=NOC(C)=C1C(C)CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001081971	1	37	-2.0	-105.45	322.65	5.46	-99.99
CC(=O)N(CCC1=CC=CC=C1)CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001081974	1	42	-2.0	-107.63	372.04	7.31	-100.32
O=C([O-])CC1=CSC([N-]C(=O)C2CC2C2=CC=CC=C2Cl)=N1	REAL300001081978	1	33	-2.0	-112.05	318.25	7.39	-104.66
CCOC1=C(Cl)C=CC=C1CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001081980	1	36	-2.0	-110.83	343.80	6.49	-104.34
O=C([O-])CC1=CSC([N-]C(=O)CC2CC(C3=CC=CC=C3)C2)=N1	REAL300001081981	1	39	-2.0	-108.60	340.82	8.20	-100.40
COC1=CC2=CC=C([C@H](C)C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)C=C2C=C1	REAL300001081988	1	42	-2.0	-111.42	368.26	7.71	-103.71
COC1=CC=C(F)C=C1CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001081990	1	33	-2.0	-110.76	310.80	5.04	-105.72
CC(CCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=CC=C1	REAL300001081994	1	38	-2.0	-108.03	333.27	7.56	-100.47
CCC1=CC=CC=C1CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001081997	1	35	-2.0	-109.40	311.82	6.76	-102.64
O=C([O-])CC1=CSC([N-]C(=O)C(C2=CC=CC=C2)C2CC2)=N1	REAL300001081999	1	36	-2.0	-110.64	325.54	7.67	-102.97
CC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=C(F)C=CC=C1F	REAL300001082000	1	32	-2.0	-113.66	300.36	6.14	-107.52
O=C([O-])CC1=CSC([N-]C(=O)CC2=CNC3=CC=C(Cl)C=C23)=N1	REAL300001082001	1	33	-2.0	-112.31	324.81	6.18	-106.13
CC(CC1=CC=CC=C1Cl)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001082002	1	35	-2.0	-109.71	319.85	7.09	-102.62
O=C([O-])CC1=CSC([N-]C(=O)CC2=CC=C(Cl)S2)=N1	REAL300001082003	1	26	-2.0	-103.75	283.36	5.35	-98.40
O=C([O-])CC1=CSC([N-]C(=O)C2(CC3=CC=CC=C3F)CC2)=N1	REAL300001082004	1	36	-2.0	-112.20	319.99	9.31	-102.89
O=C([O-])CC1=CSC([N-]C(=O)CCCC2CCOCC2)=N1	REAL300001082005	1	39	-2.0	-106.91	330.91	4.98	-101.93
COC1=CC=CC(CCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1F	REAL300001082006	1	36	-2.0	-114.72	332.27	5.77	-108.95
CC1(C)CCCCC1CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001082009	1	41	-2.0	-108.59	322.67	6.53	-102.06
COCC1=CC=CC(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1	REAL300001082010	1	36	-2.0	-109.33	331.16	5.34	-103.99
CC(C)(CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C(F)(F)F	REAL300001082013	1	31	-2.0	-100.50	284.23	4.76	-95.74
CC(OC1=CC=CC2=CC=CC=C21)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001082014	1	39	-2.0	-113.22	347.71	8.33	-104.89
COC1=CC=C(CCCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C(OC)=C1	REAL300001082015	1	43	-2.0	-111.29	376.79	5.85	-105.44
CCC(CC1=CC=C(C(F)(F)F)C=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001082018	1	41	-2.0	-107.10	368.10	8.65	-98.45
CS(=O)(=O)C1(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CCC1	REAL300001082019	1	32	-2.0	-110.93	300.06	1.75	-109.18
O=C([O-])CC1=CSC([N-]C(=O)CC2=CC3=C(C=C2[N+](=O)[O-])OCCO3)=N1	REAL300001082020	1	37	-2.0	-118.74	341.15	5.11	-113.63
CC1=CC=C(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1Br	REAL300001082022	1	32	-2.0	-107.15	315.58	6.81	-100.34
CCC(CC)(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=C(OC)C(OC)=C1	REAL300001082023	1	49	-2.0	-113.45	394.28	6.55	-106.90
O=C([O-])CC1=CSC([N-]C(=O)CCCC2=CC=CC(C(F)(F)F)=C2)=N1	REAL300001082025	1	38	-2.0	-107.28	357.72	8.20	-99.08
O=C([O-])CC1=CSC([N-]C(=O)CCCC2=CC(F)=CC=C2F)=N1	REAL300001082026	1	35	-2.0	-108.15	330.86	7.30	-100.85
O=C([O-])CC1=CSC([N-]C(=O)C2(C3=CC=C(C(F)(F)F)C=C3)CC2)=N1	REAL300001082028	1	36	-2.0	-109.25	335.99	8.77	-100.48
CCCOC1=CC=CC(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1	REAL300001082030	1	39	-2.0	-109.91	348.94	6.65	-103.26
O=C([O-])CC1=CSC([N-]C(=O)CC2=CC=CC(OCC(F)(F)F)=C2)=N1	REAL300001082031	1	36	-2.0	-110.61	347.02	6.31	-104.30
CC(C)CC1=CC=C(CCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001082032	1	44	-2.0	-107.52	378.65	9.11	-98.41
COC1=CC=C(CC(C)C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1OC	REAL300001082040	1	43	-2.0	-109.82	372.65	6.08	-103.74
CC(C)(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=C(OC(F)(F)F)C=C1	REAL300001082042	1	39	-2.0	-105.27	354.68	6.37	-98.90
CC(C)(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=C(Cl)C=C1F	REAL300001082043	1	35	-2.0	-109.69	327.72	7.06	-102.63
CCC(C)(C)C1CCC(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC1	REAL300001082046	1	50	-2.0	-108.13	378.96	8.38	-99.75
O=C([O-])CC1=CSC([N-]C(=O)C2(CC3=CC=CC=C3Cl)CC2)=N1	REAL300001082047	1	36	-2.0	-107.82	326.80	9.65	-98.17
CS(=O)(=O)C1=CC=CC=C1CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001082048	1	35	-2.0	-121.09	324.37	3.31	-117.78
COC1=CC=C(OC)C(C2CC2C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1	REAL300001082049	1	41	-2.0	-115.88	361.86	5.61	-110.27
O=C([O-])CC1=CSC([N-]C(=O)C2(CC3=CC=CC(F)=C3)CCC2)=N1	REAL300001082051	1	39	-2.0	-115.33	334.80	9.27	-106.06
O=C([O-])CC1=CSC([N-]C(=O)C(F)C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300001082054	1	32	-2.0	-103.84	318.82	6.65	-97.19
CC(C)(COCC1=CC=CC=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001082056	1	42	-2.0	-106.96	369.88	7.08	-99.88
CC1=CC2=C(C=C1C)C(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)CO2	REAL300001082059	1	37	-2.0	-111.54	328.28	5.82	-105.72
O=C([O-])CC1=CSC([N-]C(=O)CN2C3=CC=CC=C3N=C2C(F)(F)F)=N1	REAL300001082062	1	35	-2.0	-107.89	341.18	6.67	-101.22
O=C([O-])CC1=CSC([N-]C(=O)CC2=CC=C(F)C=C2Cl)=N1	REAL300001082068	1	29	-2.0	-105.58	296.37	6.11	-99.47
O=C([O-])CC1=CSC([N-]C(=O)CC2=CC=CC(OC(F)(F)F)=C2)=N1	REAL300001082069	1	33	-2.0	-105.01	322.09	5.41	-99.60
O=C([O-])CC1=CSC([N-]C(=O)CC2=CC(F)=CC=C2Br)=N1	REAL300001082070	1	29	-2.0	-105.88	300.71	6.21	-99.67
COC1=CC=C2OCC(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)CC2=C1	REAL300001082072	1	38	-2.0	-107.33	336.50	4.76	-102.57
CCC(CC1=CC=CC=C1C)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001082076	1	41	-2.0	-110.29	344.02	8.09	-102.20
CC(=O)NC1=CC=CC(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1	REAL300001082077	1	36	-2.0	-110.76	332.18	4.53	-106.23
C=CCC1(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CCOCC1	REAL300001082080	1	37	-2.0	-107.01	310.12	5.26	-101.75
O=C([O-])CC1=CSC([N-]C(=O)[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)=N1	REAL300001082081	1	39	-2.0	-108.41	324.94	6.73	-101.68
CN1N=C(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C2=CC=CC=C21	REAL300001082087	1	35	-2.0	-115.46	326.04	5.49	-109.97
O=C([O-])CC1=CSC([N-]C(=O)C2(OC3=CC=CC=C3)CC2)=N1	REAL300001082092	1	34	-2.0	-110.26	312.52	5.94	-104.32
O=C([O-])CC1=CSC([N-]C(=O)C2(C3=C(F)C=CC=C3F)CCC2)=N1	REAL300001082093	1	36	-2.0	-113.27	328.06	7.29	-105.98
O=C([O-])CC1=CSC([N-]C(=O)CC2=CC=C(N3C=NN=C3)C=C2)=N1	REAL300001082096	1	35	-2.0	-108.68	327.03	8.59	-100.09
O=C([O-])CC1=CSC([N-]C(=O)CCC2=CC=CC(OC(F)F)=C2)=N1	REAL300001082097	1	36	-2.0	-109.31	336.75	6.00	-103.31
CC1=CSC(CCCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=N1	REAL300001082099	1	34	-2.0	-109.30	325.58	4.91	-104.39
O=C([O-])CC1=CSC([N-]C(=O)CN2N=NN=C2C2=CSC=C2)=N1	REAL300001082103	1	31	-2.0	-106.23	310.11	3.55	-102.68
CN1N=C(C2CC2)N=C1CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001082105	1	35	-2.0	-109.17	324.66	5.06	-104.11
O=C([O-])CC1=CSC([N-]C(=O)[C@@H]2CCCN2C(=O)C2CC2)=N1	REAL300001082107	1	37	-2.0	-124.67	326.78	5.76	-118.91
CC1(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CCC2=CC=CC=C21	REAL300001082108	1	36	-2.0	-110.77	317.75	7.18	-103.59
CC1=CC=C(C2(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)CCC2)C=C1	REAL300001082109	1	39	-2.0	-113.61	334.67	8.66	-104.95
O=C([O-])CC1=CSC([N-]C(=O)C2(C3=CC=CC=C3F)CCC2)=N1	REAL300001082110	1	36	-2.0	-118.17	316.44	8.50	-109.67
O=C([O-])CC1=CSC([N-]C(=O)CN2C=CC3=CC=C(F)C=C32)=N1	REAL300001082111	1	33	-2.0	-108.65	315.65	7.17	-101.48
CSC1=CC=C(CCCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001082113	1	39	-2.0	-107.99	359.21	8.23	-99.76
O=C([O-])CC1=CSC([N-]C(=O)C2CCCCC2C2CC2)=N1	REAL300001082114	1	39	-2.0	-113.43	323.59	6.88	-106.55
O=C([O-])CC1=CSC([N-]C(=O)C2CCC3=CC(Br)=CC=C32)=N1	REAL300001082115	1	33	-2.0	-108.63	317.22	7.67	-100.96
O=C([O-])CC1=CSC([N-]C(=O)CC2=CC=C3OCCCC3=C2)=N1	REAL300001082116	1	37	-2.0	-109.73	329.80	6.25	-103.48
O=C([O-])CC1=CSC([N-]C(=O)C2COCCN2CC(F)(F)F)=N1	REAL300001082117	1	35	-2.0	-101.29	313.69	1.37	-99.92
O=C([O-])CC1=CSC([N-]C(=O)CC2=C3C=CC=CN3N=C2)=N1	REAL300001082119	1	32	-2.0	-114.39	303.83	5.42	-108.97
O=C([O-])CC1=CSC([N-]C(=O)C2CCC3=NC=NC=C3C2)=N1	REAL300001082122	1	34	-2.0	-105.02	306.02	5.28	-99.74
CCCC1=CC=C(CCCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001082123	1	44	-2.0	-107.73	383.38	9.43	-98.30
O=C([O-])CC1=CSC([N-]C(=O)CC2=CC=CC(CC(F)(F)F)=C2)=N1	REAL300001082125	1	35	-2.0	-108.16	337.09	7.39	-100.77
CC1(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC1(F)Cl	REAL300001082128	1	29	-2.0	-102.47	287.36	5.19	-97.28
O=C([O-])CC1=CSC([N-]C(=O)C2CCC3=CC=CC=C3C2)=N1	REAL300001082132	1	36	-2.0	-110.68	316.21	7.30	-103.38
O=C([O-])CC1=CSC([N-]C(=O)COCCC2=CC=CC(F)=C2)=N1	REAL300001082133	1	36	-2.0	-108.22	338.48	6.76	-101.46
CC(COCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=CC=C1	REAL300001082134	1	39	-2.0	-108.39	348.89	7.22	-101.17
O=C([O-])CC1=CSC([N-]C(=O)C2CCOC3=CC=C(Br)C=C32)=N1	REAL300001082135	1	34	-2.0	-109.49	322.63	6.83	-102.66
O=C([O-])CC1=CSC([N-]C(=O)C2CCCC3=C(O)C=CC=C32)=N1	REAL300001082137	1	37	-2.0	-109.92	319.84	5.37	-104.55
CCC1CCCCC1OCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001082138	1	42	-2.0	-110.63	348.71	6.92	-103.71
O=C([O-])CC1=CSC([N-]C(=O)C2CCS(=O)(=O)N2)=N1	REAL300001082141	1	28	-2.0	-107.18	274.81	-1.78	-108.96
O=C([O-])CC1=CSC([N-]C(=O)C2(C3=CC(F)=CC(C(F)(F)F)=C3)CC2)=N1	REAL300001082146	1	36	-2.0	-109.81	342.72	8.85	-100.96
COCCOC1=CC=C(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001082148	1	40	-2.0	-109.55	361.08	5.12	-104.43
O=C([O-])CC1=CSC([N-]C(=O)C2(N3C=NN=N3)CCCCC2)=N1	REAL300001082149	1	37	-2.0	-103.94	318.78	4.92	-99.02
O=C([O-])CC1=CSC([N-]C(=O)C2(C3=CC=CC=C3Cl)CCC2)=N1	REAL300001082150	1	36	-2.0	-111.55	329.92	7.55	-104.00
O=C([O-])CC1=CSC([N-]C(=O)CCCC2=CC=C3CCCCC3=C2)=N1	REAL300001082155	1	45	-2.0	-108.73	381.69	9.70	-99.03
CC1=NN(CC2CC2)C(C)=C1CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001082158	1	42	-2.0	-110.13	371.48	6.84	-103.29
COC1=CC=C2C(=C1)C1=C(CCCC1)N2CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001082159	1	47	-2.0	-110.84	401.35	8.75	-102.09
COC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=CC=C1Br	REAL300001082160	1	33	-2.0	-109.40	322.65	6.74	-102.66
O=C([O-])CC1=CSC([N-]C(=O)CCC2=CC=C3OC(F)(F)OC3=C2)=N1	REAL300001082162	1	35	-2.0	-104.47	337.11	5.53	-98.94
O=C([O-])CC1=CSC([N-]C(=O)C2CCC3(CC3(F)F)CC2)=N1	REAL300001082164	1	36	-2.0	-111.55	315.00	6.47	-105.08
O=C([O-])CC1=CSC([N-]C(=O)CC2OCC3=CC(Cl)=CC=C32)=N1	REAL300001082166	1	34	-2.0	-109.35	327.00	6.11	-103.24
O=C([O-])CC1=CSC([N-]C(=O)CCC2=C(Cl)C=CC=C2Cl)=N1	REAL300001082170	1	32	-2.0	-110.62	325.59	7.27	-103.35
O=C([O-])CC1=CSC([N-]C(=O)CCCC2=C(F)C=CC=C2F)=N1	REAL300001082174	1	35	-2.0	-111.46	329.61	7.26	-104.20
CC1=CC=C(C2(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)CCOCC2)C=C1C	REAL300001082177	1	46	-2.0	-111.20	372.13	7.66	-103.54
O=C([O-])CC1=CSC([N-]C(=O)C2(C3=CC=C(C(F)(F)F)C=C3)CCC2)=N1	REAL300001082178	1	39	-2.0	-109.18	352.22	8.94	-100.24
O=C([O-])CC1=CSC([N-]C(=O)C2CCCCC2N2C=CC=N2)=N1	REAL300001082179	1	39	-2.0	-110.60	326.02	6.64	-103.96
CC(C)C1CCC(C)CC1C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001082180	1	44	-2.0	-113.11	349.70	7.19	-105.92
O=C([O-])CC1=CSC([N-]C(=O)CC2=CN3CCCCC3=N2)=N1	REAL300001082181	1	36	-2.0	-120.93	319.09	5.92	-115.01
O=C([O-])CC1=CSC([N-]C(=O)CCCC2=CC=C(F)C=C2)=N1	REAL300001082188	1	35	-2.0	-106.41	325.40	7.28	-99.13
CS(=O)(=O)N1CCC(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC1	REAL300001082189	1	40	-2.0	-111.61	350.81	2.35	-109.26
O=C([O-])CC1=CSC([N-]C(=O)CC2OCC3=CC=CC=C32)=N1	REAL300001082190	1	34	-2.0	-113.04	310.57	5.53	-107.51
COC1=CC=C2CCCC(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)C2=C1	REAL300001082191	1	40	-2.0	-120.00	339.68	7.42	-112.58
O=C([O-])CC1=CSC([N-]C(=O)CCC2CCCCCC2)=N1	REAL300001082193	1	41	-2.0	-106.70	329.45	7.01	-99.69
O=C([O-])CC1=CSC([N-]C(=O)C2CCCS2(=O)=O)=N1	REAL300001082195	1	29	-2.0	-118.23	276.68	1.70	-116.53
CC(C)OC1=CC=CC=C1C(F)(F)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001082197	0	39	-2.0	-118.81	353.44	6.71	-112.10
CC1=C(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)NC(=O)C2=CC=CC=C12	REAL300001082198	1	35	-2.0	-113.09	316.65	4.88	-108.21
CC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=C(Cl)C=C1	REAL300001082200	1	32	-2.0	-105.01	309.74	6.68	-98.33
COC(CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C(F)(F)F	REAL300001082201	1	29	-2.0	-102.74	284.09	3.45	-99.29
CSCC1(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC1	REAL300001082202	1	33	-2.0	-109.10	308.19	5.75	-103.35
O=C([O-])CC1=CSC([N-]C(=O)CC2C3CC4CC(C3)CC2C4)=N1	REAL300001082204	1	43	-2.0	-110.82	329.89	7.40	-103.42
O=C([O-])CC1=CSC([N-]C(=O)C2(C3=CC=CC(OC(F)(F)F)=C3)CC2)=N1	REAL300001082209	1	37	-2.0	-115.29	343.24	7.57	-107.72
O=C([O-])CC1=CSC([N-]C(=O)CC23CCCCC2C3(F)F)=N1	REAL300001082213	1	36	-2.0	-104.48	312.81	6.37	-98.11
O=C([O-])CC1=CSC([N-]C(=O)[C@H]2CC[C@H](C3CCC3)CC2)=N1	REAL300001082215	1	42	-2.0	-108.33	346.00	7.79	-100.54
COC1=CC=C([C@@H]2C[C@H]2CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001082216	1	40	-2.0	-108.88	353.93	7.05	-101.83
O=C([O-])CC1=CSC([N-]C(=O)CC2=CC=C(OCC3=CC=CC=C3)C=C2)=N1	REAL300001082217	1	43	-2.0	-109.13	387.36	8.90	-100.23
CC(C)C1=CC=C(C2(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)CCCCC2)C=C1	REAL300001082219	1	51	-2.0	-113.84	402.23	10.73	-103.11
CC(C)(CC(F)(F)F)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001082220	1	31	-2.0	-102.33	284.26	4.77	-97.56
O=C([O-])CC1=CSC([N-]C(=O)C2COCC2C2=CC=CC=C2)=N1	REAL300001082221	1	37	-2.0	-110.75	327.11	5.44	-105.31
COC1(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CCC(F)(F)CC1	REAL300001082224	1	36	-2.0	-101.43	303.52	6.69	-94.74
CC1(C)CC(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC(C)(C)C1	REAL300001082225	1	44	-2.0	-110.33	349.24	7.09	-103.24
O=C([O-])CC1=CSC([N-]C(=O)CN2C=C(C3CC3)C=N2)=N1	REAL300001082226	1	33	-2.0	-110.84	307.61	5.19	-105.65
O=C([O-])CC1=CSC([N-]C(=O)C2CC3(CC3(F)F)C2)=N1	REAL300001082229	1	30	-2.0	-103.30	288.32	5.47	-97.83
O=C([O-])CC1=CSC([N-]C(=O)CC2=CC=C(Br)C=C2F)=N1	REAL300001082239	1	29	-2.0	-107.63	302.79	6.28	-101.35
COC1=CC=C([C@@H]2C[C@H]2C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001082241	1	37	-2.0	-110.59	333.50	6.27	-104.32
O=C([O-])CC1=CSC([N-]C(=O)CC2=CC=C(C3CCCCC3)C=C2)=N1	REAL300001082243	1	45	-2.0	-108.28	377.96	9.43	-98.85
O=C([O-])CC1=CSC([N-]C(=O)C2(C(F)(F)F)CCCCC2)=N1	REAL300001082245	1	35	-2.0	-107.76	306.03	6.11	-101.65
CC(C)(OC1=CC=C(Br)C=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001082246	1	36	-2.0	-105.21	334.94	6.91	-98.30
COC1=CC=CC=C1C(F)(F)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001082248	0	33	-2.0	-116.58	313.54	5.13	-111.45
COCCCN1N=C(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=CC1=O	REAL300001082251	1	38	-2.0	-107.36	351.76	2.76	-104.60
COC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1CCOC1	REAL300001082254	1	34	-2.0	-107.52	303.03	2.87	-104.65
CC(C)(C)N1N=NC(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=N1	REAL300001082255	1	36	-2.0	-112.52	329.45	3.21	-109.31
COCCCOCCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001082257	1	36	-2.0	-105.81	326.78	2.55	-103.26
COC1=CC=C(OC(C)(C)C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001082258	1	40	-2.0	-107.85	343.16	5.56	-102.29
CC(C)CC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=C(Cl)C=C1	REAL300001082259	1	41	-2.0	-106.69	367.99	8.63	-98.06
O=C([O-])CC1=CSC([N-]C(=O)CC2=C(Cl)C=CC=C2Br)=N1	REAL300001082260	1	29	-2.0	-109.98	308.23	6.55	-103.43
COC1=CC=CC(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1Cl	REAL300001082261	1	33	-2.0	-111.93	319.14	5.39	-106.54
O=C([O-])CC1=CSC([N-]C(=O)C2(N3C=NN=N3)CCOCC2)=N1	REAL300001082262	1	35	-2.0	-101.71	310.74	2.54	-99.17
CC(C)(OC1=CC=CC=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001082265	1	36	-2.0	-108.64	313.56	6.32	-102.32
CC1=CC=CC=C1C1(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CCC1	REAL300001082266	1	39	-2.0	-110.65	332.18	7.59	-103.06
CC1=CC=CC=C1CC(C)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001082270	1	38	-2.0	-108.54	329.96	7.37	-101.17
O=C([O-])CC1=CSC([N-]C(=O)C2C3CC4=C(Cl)C=CC=C4C32)=N1	REAL300001082272	1	34	-2.0	-108.96	318.94	7.89	-101.07
O=C([O-])CC1=CSC([N-]C(=O)C(F)(F)C2=CC=C(Br)C=C2)=N1	REAL300001082273	0	29	-2.0	-105.30	307.59	6.38	-98.92
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001082275	1	36	-2.0	-110.76	321.84	7.49	-103.27
O=C([O-])CC1=CSC([N-]C(=O)C2CC3=CC=CC=C3CO2)=N1	REAL300001082276	1	34	-2.0	-111.89	308.49	6.03	-105.86
COC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1CCCCC1	REAL300001082277	1	39	-2.0	-108.24	326.77	6.78	-101.46
O=C([O-])CC1=CSC([N-]C(=O)C2CC3(C2)CCCCC3)=N1	REAL300001082279	1	39	-2.0	-108.97	322.49	6.84	-102.13
O=C([O-])CC1=CSC([N-]C(=O)[C@@H]2C[C@H]2C2=CC=CC(Cl)=C2Cl)=N1	REAL300001082282	1	33	-2.0	-112.14	333.46	7.84	-104.30
CC1=CC=C2OC=C(CC(=O)[N-]C3=NC(CC(=O)[O-])=CS3)C2=C1	REAL300001082283	1	35	-2.0	-111.70	325.42	6.65	-105.05
COC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=C(F)C=C1	REAL300001082284	1	33	-2.0	-105.76	314.66	5.74	-100.02
CCCC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=CC(Cl)=C1	REAL300001082285	1	38	-2.0	-106.54	350.83	8.14	-98.40
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CC1=CC=C(COC(C)C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001082290	1	39	-2.0	-110.57	351.97	7.35	-103.22
O=C([O-])CC1=CSC([N-]C(=O)[C@@H]2C[C@H]2C2=CSC(Br)=C2)=N1	REAL300001082292	1	30	-2.0	-107.53	316.43	6.67	-100.86
O=C([O-])CC1=CSC([N-]C(=O)C2C3CC4=CC=CC=C4C32)=N1	REAL300001082296	1	34	-2.0	-110.36	302.59	7.39	-102.97
O=C([O-])CC1=CSC([N-]C(=O)C2COC3=CC(F)=CC=C3C2)=N1	REAL300001082298	1	34	-2.0	-103.51	313.39	5.55	-97.96
CC1=CC=CC=C1COC(C)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001082300	1	39	-2.0	-111.50	346.96	7.31	-104.19
CCC1(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CCC(F)(F)CC1	REAL300001082301	1	38	-2.0	-102.80	314.70	7.19	-95.61
O=C([O-])CC1=CSC([N-]C(=O)[C@@H]2OCCO[C@@H]2C2=CC=CC=C2)=N1	REAL300001082303	1	38	-2.0	-110.93	326.36	6.60	-104.33
CCCCCCCCCCCCC(C)(C)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001082304	1	61	-2.0	-108.30	485.73	12.15	-96.15
O=C([O-])CC1=CSC([N-]C(=O)[C@@H]2CC[C@@H](C3=CC=CC=C3)C2)=N1	REAL300001082306	1	39	-2.0	-109.02	337.13	8.01	-101.01
O=C([O-])CC1=CSC([N-]C(=O)C2(C3=CC=CC=C3)CCCCCC2)=N1	REAL300001082310	1	45	-2.0	-114.25	351.25	9.30	-104.95
O=C([O-])CC1=CSC([N-]C(=O)[C@@H]2CC3=CC=CC=C3O[C@H]2C(F)(F)F)=N1	REAL300001082311	1	37	-2.0	-110.07	342.25	6.57	-103.50
CC1=NC(C2=CC=CS2)=C(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)S1	REAL300001082317	1	35	-2.0	-111.53	347.49	5.97	-105.56
O=C([O-])CC1=CSC([N-]C(=O)C2CCC3C(C2)C3(F)F)=N1	REAL300001082318	1	33	-2.0	-109.16	294.81	5.94	-103.22
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COC1=CC=C(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1OC(F)F	REAL300001082322	1	37	-2.0	-114.08	344.59	5.11	-108.97
CC1=CC=CC(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1Br	REAL300001082323	1	32	-2.0	-109.55	312.49	6.71	-102.84
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CC1=CC(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C(C)N1C1=CC=CC=C1	REAL300001082327	1	43	-2.0	-115.72	380.40	9.54	-106.18
CCOC1(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CCOCC1	REAL300001082331	1	37	-2.0	-107.35	310.17	2.66	-104.69
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CCOCCOCCCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001082350	1	39	-2.0	-110.18	348.59	3.67	-106.51
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CCCC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=C(Cl)C=C1	REAL300001082352	1	38	-2.0	-106.45	350.83	8.15	-98.30
COC1=CC=CC(C(OC)C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1	REAL300001082354	1	37	-2.0	-112.61	337.72	4.98	-107.63
COCCOCCOCCCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001082355	1	43	-2.0	-111.88	382.22	3.03	-108.85
O=C([O-])CC1=CSC([N-]C(=O)CC2(N3C=NN=N3)CCOCC2)=N1	REAL300001082357	1	38	-2.0	-110.64	326.75	3.80	-106.84
CC(C)(OC1=CC=C(C(F)(F)F)C=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001082360	1	39	-2.0	-104.63	352.37	7.29	-97.34
O=C([O-])CC1=CSC([N-]C(=O)C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)=N1	REAL300001082361	1	39	-2.0	-108.40	363.50	9.40	-99.00
O=C([O-])CC1=CSC([N-]C(=O)C2CCC3=CC(F)=CC=C32)=N1	REAL300001082364	1	33	-2.0	-108.47	302.33	7.11	-101.36
CC1=CC=C([C@@H]2C[C@H]2C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1C	REAL300001082365	1	39	-2.0	-111.34	342.43	8.18	-103.16
CC1=CC=CC=C1COCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001082366	1	36	-2.0	-111.03	326.74	6.60	-104.43
CC1=CC=CC(COCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1	REAL300001082367	1	36	-2.0	-109.90	331.98	6.58	-103.32
CC1=CC=C(COCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001082368	1	36	-2.0	-109.79	331.98	6.59	-103.20
O=C([O-])CC1=CSC([N-]C(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)=N1	REAL300001082370	1	35	-2.0	-112.25	313.10	5.82	-106.43
C[C@H](OC1=CC=C(Cl)C=C1Cl)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001082372	1	33	-2.0	-106.04	335.41	7.07	-98.97
COC1=CC=C(CCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C(Br)=C1	REAL300001082373	1	36	-2.0	-109.22	344.19	6.20	-103.02
COCC1(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CCCCC1	REAL300001082381	1	39	-2.0	-113.49	322.15	5.25	-108.24
CC1(C)CC1(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=CC=C1	REAL300001082382	1	39	-2.0	-111.00	338.55	8.03	-102.97
CC1CC(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)(C2=CC=CC(Cl)=C2)C1	REAL300001082385	1	39	-2.0	-115.78	346.72	8.61	-107.17
COC1=CC=C(C2(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)CCC2)C=C1OC	REAL300001082386	1	44	-2.0	-115.15	372.44	7.15	-108.00
O=C([O-])CC1=CSC([N-]C(=O)C2(C3=C(Cl)C=CC=C3Cl)CCC2)=N1	REAL300001082387	1	36	-2.0	-109.28	341.39	7.88	-101.40
COC1=CC=C(C(=O)NC2=NC(CC(=O)[O-])=CS2)C([O-])=C1	REAL300001082388	1	31	-2.0	-106.27	289.38	4.82	-101.45
O=C([O-])CC1=CSC([N-]C(=O)CCCCC2=CC=C(Cl)C=C2)=N1	REAL300001082389	1	38	-2.0	-105.99	357.22	8.51	-97.48
CCCOC1=CC=C(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1OCCC	REAL300001082390	1	49	-2.0	-109.11	421.56	8.26	-100.85
CC(C)(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300001082391	1	45	-2.0	-111.90	382.87	9.99	-101.91
COC(C)(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=CC=C1F	REAL300001082392	1	36	-2.0	-110.35	315.07	6.16	-104.19
COC1CCCC(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C1	REAL300001082393	1	39	-2.0	-110.68	326.32	5.05	-105.63
COCCOC1CCC(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC1	REAL300001082395	1	43	-2.0	-116.65	359.66	4.27	-112.38
O=C([O-])CC1=CSC([N-]C(=O)CC2=CC=CC(C3CC3)=C2)=N1	REAL300001082396	1	36	-2.0	-109.30	325.32	7.72	-101.58
O=C([O-])CC1=CSC([N-]C(=O)C(C2CCC2)C2CCC2)=N1	REAL300001082399	1	39	-2.0	-111.23	325.79	7.28	-103.95
CC1(C2=CC=CC(Br)=C2)CC1C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001082401	1	36	-2.0	-108.09	346.24	8.17	-99.92
O=C([O-])CC1=CSC([N-]C(=O)[C@@H]2C[C@H]2C2CCOCC2)=N1	REAL300001082402	1	37	-2.0	-110.50	321.25	4.90	-105.60
O=C([O-])CC1=CSC([N-]C(=O)[C@@H]2CC[C@H](CC3=CC=CC=C3)O2)=N1	REAL300001082403	1	40	-2.0	-113.59	354.16	7.66	-105.93
O=C([O-])CC1=CSC([N-]C(=O)C2(C3CCCCO3)CCC2)=N1	REAL300001082407	1	40	-2.0	-115.00	328.49	6.42	-108.58
O=C([O-])CC1=CSC([N-]C(=O)C2(C3=CC=C([N+](=O)[O-])C=C3)CCC2)=N1	REAL300001082408	1	38	-2.0	-105.40	347.67	7.97	-97.43
CC(C)(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=CC(C(F)(F)F)=N1	REAL300001082409	1	37	-2.0	-106.17	345.51	6.16	-100.01
O=C([O-])CC1=CSC([N-]C(=O)C2C3CC4=C(Br)C=CC=C4C32)=N1	REAL300001082419	1	34	-2.0	-108.72	323.34	7.99	-100.73
O=C([O-])CC1=CSC([N-]C(=O)CC2CCC(F)(F)CC2)=N1	REAL300001082421	1	35	-2.0	-105.55	307.06	6.04	-99.51
CC1=CN(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)N=C1C(F)(F)F	REAL300001082422	1	32	-2.0	-110.13	317.93	4.67	-105.46
CC1=CC=CC([C@@H]2C[C@H]2C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1	REAL300001082423	1	36	-2.0	-110.79	325.40	7.64	-103.15
CC1=NOC(C2(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)CCOCC2)=C1	REAL300001082430	1	39	-2.0	-102.81	337.49	4.58	-98.23
O=C([O-])CC1=CSC([N-]C(=O)C2CCCN2CC2=CC=C(Cl)C=C2)=N1	REAL300001082436	1	41	-2.0	-110.25	369.97	6.25	-104.00
O=C([O-])CC1=CSC([N-]C(=O)CC2=CC(Cl)=CC(Cl)=C2)=N1	REAL300001082437	1	29	-2.0	-103.13	309.57	6.63	-96.50
O=C([O-])CC1=CSC([N-]C(=O)CC2=CC(Cl)=CC3=CC=CC=C32)=N1	REAL300001082440	1	35	-2.0	-109.97	335.44	8.25	-101.72
COC1=CC=C2C(CC(=O)[N-]C3=NC(CC(=O)[O-])=CS3)=COC2=C1C	REAL300001082442	1	39	-2.0	-110.13	353.40	6.02	-104.11
O=C([O-])CC1=CSC([N-]C(=O)CC2=CSC(COC3=CC=CC=C3)=N2)=N1	REAL300001082443	1	39	-2.0	-117.99	371.38	6.08	-111.91
CC1(C)CCC(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C(C2=CC=CC=C2)C1	REAL300001082447	1	48	-2.0	-111.54	375.75	9.16	-102.38
O=C([O-])CC1=CSC([N-]C(=O)C2(C3=CC=CC=C3)CC3(CCC3)C2)=N1	REAL300001082448	1	43	-2.0	-114.62	360.37	9.74	-104.88
CC1=CN(C(C)(C)C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)N=C1C(F)(F)F	REAL300001082449	1	38	-2.0	-100.85	352.18	5.55	-95.30
CC(C)(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1CCCCO1	REAL300001082450	1	39	-2.0	-111.63	321.11	5.68	-105.95
O=C([O-])CC1=CSC([N-]C(=O)[C@@H]2CCO[C@H]2C2=CC=C(Cl)C(F)=C2)=N1	REAL300001082453	1	37	-2.0	-103.34	352.09	6.39	-96.95
O=C([O-])CC1=CSC([N-]C(=O)C2(C3=CC=C(Cl)C=C3Cl)CCCC2)=N1	REAL300001082454	1	39	-2.0	-108.15	351.33	8.79	-99.36
CC(C)C(C)(CC1=CC=CC=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001082455	1	44	-2.0	-108.53	352.13	8.94	-99.59
CC1=CC=CC=C1C1(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CCCC1	REAL300001082456	1	42	-2.0	-119.47	336.38	8.23	-111.24
O=C([O-])CC1=CSC([N-]C(=O)C2CCC2C2=CC=C(F)C=C2)=N1	REAL300001082457	1	36	-2.0	-111.76	319.07	7.33	-104.43
CSCCCCCCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001082459	1	38	-2.0	-106.89	346.81	6.98	-99.91
CCC1=C(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C2=CC=CC=C2O1	REAL300001082460	1	38	-2.0	-112.36	345.87	7.53	-104.83
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CCOC1=CC=CC(CCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1	REAL300001082465	1	39	-2.0	-109.91	348.86	6.65	-103.26
CC1(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)COC2=CC=CC=C2O1	REAL300001082466	1	35	-2.0	-113.21	317.77	4.84	-108.37
CC1=CN2C=C(CC(=O)[N-]C3=NC(CC(=O)[O-])=CS3)N=C2S1	REAL300001082467	1	32	-2.0	-121.10	314.57	6.25	-114.85
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CC1(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CCC(F)(F)CC1	REAL300001082470	1	35	-2.0	-103.77	302.76	5.68	-98.09
O=C([O-])CC1=CSC([N-]C(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)=N1	REAL300001082472	1	35	-2.0	-111.30	302.93	5.77	-105.53
O=C([O-])CC1=CSC([N-]C(=O)CC2=CSC(CCC(F)(F)F)=N2)=N1	REAL300001082473	1	34	-2.0	-109.08	343.80	5.21	-103.87
O=C([O-])CC1=CSC([N-]C(=O)C2C3CC4=CC(Br)=CC=C4C32)=N1	REAL300001082475	1	34	-2.0	-108.75	331.57	8.12	-100.63
O=C([O-])CC1=CSC([N-]C(=O)[C@@H]2C[C@H]2C2=C(F)C=CC=C2Cl)=N1	REAL300001082476	1	33	-2.0	-113.76	320.82	7.35	-106.41
CC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)N1C=CC(C(F)(F)F)=N1	REAL300001082477	1	32	-2.0	-99.05	315.03	4.39	-94.66
CC1=CC=CC(COC(C)C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1	REAL300001082483	1	39	-2.0	-110.65	351.97	7.34	-103.31
CC1(C)[C@H](C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)[C@H]1C1=CC=CC=C1	REAL300001082484	1	39	-2.0	-111.38	336.36	7.82	-103.56
O=C([O-])CC1=CSC([N-]C(=O)CC2(C3=CC=CC=C3)CC2)=N1	REAL300001082487	1	36	-2.0	-109.04	319.64	7.39	-101.65
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O=C([O-])CC1=CSC([N-]C(=O)CCC2=CC=C(F)C3=C2CCCC3)=N1	REAL300001082490	1	42	-2.0	-105.73	359.05	8.70	-97.03
O=C([O-])CC1=CSC([N-]C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)=N1	REAL300001082491	1	31	-2.0	-110.11	286.96	3.61	-106.50
O=C([O-])CC1=CSC([N-]C(=O)CCC2=CC=C(F)C3=CC=CC=C23)=N1	REAL300001082492	1	38	-2.0	-107.08	345.52	8.58	-98.50
CCC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=C(Br)C=C1	REAL300001082493	1	35	-2.0	-104.17	330.58	8.38	-95.79
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O=C([O-])CC1=CSC([N-]C(=O)[C@@H]2CCCC[C@@H]2C2=CC=CC=C2)=N1	REAL300001082501	1	42	-2.0	-110.35	341.85	8.26	-102.09
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CC1=CC(=O)N(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001082510	1	32	-2.0	-116.00	301.72	4.90	-111.10
O=C([O-])CC1=CSC([N-]C(=O)CC2=CC3=NNC=C3C=C2)=N1	REAL300001082511	1	32	-2.0	-117.22	302.33	4.33	-112.89
CC(C)(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=CN=C1	REAL300001082514	1	34	-2.0	-107.42	303.80	4.78	-102.64
CC1=CC2=C(SC=C2CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)S1	REAL300001082516	1	32	-2.0	-108.19	325.58	6.87	-101.32
CCOC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1CCOC1	REAL300001082517	1	37	-2.0	-106.59	317.99	4.10	-102.49
O=C([O-])CC1=CSC([N-]C(=O)[C@@H]2CCCC[C@H]2C2=CC=CC(Cl)=C2)=N1	REAL300001082519	1	42	-2.0	-107.97	368.22	9.03	-98.94
COC1=CC=CC(C(C)(C)C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1	REAL300001082521	1	39	-2.0	-114.55	338.21	5.88	-108.67
CCOC1COCCC1CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001082524	1	40	-2.0	-108.96	339.38	3.89	-105.07
O=C([O-])CC1=CSC([N-]C(=O)C2C3CC4=CC=C(Br)C=C4C32)=N1	REAL300001082525	1	34	-2.0	-109.54	324.34	8.03	-101.51
CCOC1CC2(CC2C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C1	REAL300001082526	1	37	-2.0	-115.51	327.09	5.31	-110.20
CCC1=CC2=C(SC=C2CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)S1	REAL300001082527	1	35	-2.0	-108.20	347.08	7.64	-100.56
O=C([O-])CC1=CSC([N-]C(=O)CC2=COC3=C(Cl)C(Cl)=CC=C23)=N1	REAL300001082530	1	32	-2.0	-104.76	335.80	6.95	-97.81
CCOCCCCCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001082532	1	38	-2.0	-107.53	336.11	5.00	-102.53
O=C([O-])CC1=CSC([N-]C(=O)CCCOC2CCOCC2)=N1	REAL300001082533	1	40	-2.0	-108.15	346.20	3.72	-104.43
O=C([O-])CC1=CSC([N-]C(=O)C2COCCN2C2CCCC2)=N1	REAL300001082537	1	42	-2.0	-112.06	339.19	2.76	-109.30
O=C([O-])CC1=CSC([N-]C(=O)C2CCN(CC(F)(F)F)C2)=N1	REAL300001082539	1	34	-2.0	-106.67	309.25	2.62	-104.05
CCCC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=CC=N1	REAL300001082540	1	37	-2.0	-109.61	326.55	5.93	-103.68
O=C([O-])CC1=CSC([N-]C(=O)C2(C3=CC=CN=C3)CCCC2)=N1	REAL300001082542	1	38	-2.0	-111.65	326.02	6.33	-105.32
O=C([O-])CC1=CSC([N-]C(=O)C2CCC3=CC=CN=C32)=N1	REAL300001082543	1	32	-2.0	-116.67	293.31	4.85	-111.82
CC(CC1=CN=CC2=CC=CC=C21)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001082546	1	40	-2.0	-111.12	344.74	7.00	-104.12
O=C([O-])CC1=CSC([N-]C(=O)CCC2=CC=CC3=CC=CC=C32)=N1	REAL300001082547	1	38	-2.0	-111.30	339.99	8.55	-102.75
CC(CCC1=CC=C(F)C=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001082548	1	38	-2.0	-107.51	342.58	7.80	-99.71
CC(C)(CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=C(F)C=C1	REAL300001082549	1	38	-2.0	-104.84	327.89	7.24	-97.60
O=C([O-])CC1=CSC([N-]C(=O)C2CCC23CCOCC3)=N1	REAL300001082553	1	37	-2.0	-110.83	303.74	4.55	-106.28
CCOC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1CCOCC1	REAL300001082554	1	40	-2.0	-113.50	336.61	5.04	-108.46
CCOC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1CCCC1	REAL300001082555	1	39	-2.0	-111.00	326.73	6.92	-104.08
O=C([O-])CC1=CSC([N-]C(=O)CC2=CC=C(Br)C=C2Cl)=N1	REAL300001082557	1	29	-2.0	-105.70	311.26	6.66	-99.04
CC1=CC2=C(S1)C(CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1)=CS2	REAL300001082560	1	32	-2.0	-109.98	324.88	6.85	-103.13
O=C([O-])CC1=CSC([N-]C(=O)C(=O)C2=CC=C(F)C=C2)=N1	REAL300001082563	0	28	-2.0	-106.85	279.05	4.84	-102.01
O=C([O-])CC1=CSC([N-]C(=O)[C@]2(C3=CC=CC=C3)C[C@@H](F)C2)=N1	REAL300001082565	1	36	-2.0	-107.32	320.32	8.04	-99.28
CC1=CC(C)=C(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)S1	REAL300001082566	1	32	-2.0	-109.00	307.38	6.12	-102.88
CC(C)(C)C1=CC=C(C(F)(F)C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001082568	0	41	-2.0	-109.85	362.50	8.08	-101.77
C[C@H]1CC[C@H](C2=NC(CC(=O)[N-]C3=NC(CC(=O)[O-])=CS3)=CS2)CC1	REAL300001082573	1	44	-2.0	-111.24	386.36	7.13	-104.11
CC(C)(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=C(C(F)(F)F)C=C1	REAL300001082576	1	38	-2.0	-105.82	347.45	7.58	-98.24
CC(C)(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=C(F)C=C1F	REAL300001082577	1	35	-2.0	-109.50	317.39	6.61	-102.89
CC(C)(CC1=CC=C(Br)C=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001082580	1	38	-2.0	-105.91	350.39	7.88	-98.03
C=CCCCC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=CC=C1	REAL300001082581	1	42	-2.0	-108.99	369.78	8.91	-100.08
CC1(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)OCCC2=CC=CC=C21	REAL300001082582	1	37	-2.0	-113.34	321.87	5.47	-107.87
CC1=CC=C(Cl)C=C1OCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001082583	1	33	-2.0	-108.19	321.82	6.66	-101.53
CC(C)(C)C12CC(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)(C1)C2	REAL300001082584	1	39	-2.0	-110.56	336.98	6.99	-103.57
O=C([O-])CC1=CSC([N-]C(=O)[C@@H]2C[C@H]2C2=CC=CC(C(F)(F)F)=C2)=N1	REAL300001082587	1	36	-2.0	-110.00	342.73	7.97	-102.03
CC1(C)CCC(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)OC1	REAL300001082588	1	39	-2.0	-110.93	326.99	5.57	-105.36
CC(C)(CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1)CC(F)F	REAL300001082589	1	34	-2.0	-105.12	293.84	5.24	-99.88
O=C([O-])CC1=CSC([N-]C(=O)CN2CCCCS2(=O)=O)=N1	REAL300001082590	1	34	-2.0	-123.35	313.59	1.32	-122.03
O=C([O-])CC1=CSC([N-]C(=O)C2CCOC3=C(F)C=CC=C32)=N1	REAL300001082593	1	34	-2.0	-105.03	307.45	6.30	-98.73
CS(=O)(=O)C1CCC(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC1	REAL300001082594	1	38	-2.0	-115.44	337.44	2.53	-112.91
O=C([O-])CC1=CSC([N-]C(=O)CN2N=C(C(F)F)C=C2C2CC2)=N1	REAL300001082596	1	36	-2.0	-107.83	343.17	5.84	-101.99
CCC(CC1=CC=CC(C)=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001082597	1	41	-2.0	-107.91	351.05	9.12	-98.79
COC1=CC(OC)=CC(C2(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)CCCC2)=C1	REAL300001082600	1	47	-2.0	-122.21	390.00	6.78	-115.43
O=C([O-])CC1=CSC([N-]C(=O)C2(C3CCCCO3)CCOCC2)=N1	REAL300001082601	1	44	-2.0	-109.22	343.68	6.71	-102.51
CC1=CC=C2OCC(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)=CC2=C1	REAL300001082602	1	35	-2.0	-112.03	320.82	6.28	-105.75
O=C([O-])CC1=CSC([N-]C(=O)CC2=CSC(C3CCCC3)=N2)=N1	REAL300001082608	1	38	-2.0	-111.40	346.57	5.85	-105.55
O=C([O-])CC1=CSC([N-]C(=O)CC2=CSC(C3CC3)=N2)=N1	REAL300001082609	1	32	-2.0	-111.84	312.59	4.80	-107.04
CC1CCC(OCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC1	REAL300001082610	1	39	-2.0	-110.15	331.33	6.22	-103.93
O=C([O-])CC1=CSC([N-]C(=O)CCC2CCC3=CC=CC=C32)=N1	REAL300001082612	1	39	-2.0	-109.05	338.12	8.09	-100.96
CC1(C)COC(CCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C1	REAL300001082614	1	39	-2.0	-109.47	334.69	4.89	-104.58
CC(C)(CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1)CC(F)(F)F	REAL300001082615	1	34	-2.0	-104.50	297.67	5.32	-99.18
COC1=CC=C(CCCCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1OC	REAL300001082616	1	46	-2.0	-110.04	399.24	7.19	-102.85
COC1=CC=C2CC(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)CCC2=C1	REAL300001082617	1	40	-2.0	-109.74	345.78	6.59	-103.15
O=C([O-])CC1=CSC([N-]C(=O)CC2CCC3(CCC3)CO2)=N1	REAL300001082621	1	40	-2.0	-111.24	335.09	6.18	-105.06
O=C([O-])CC1=CSC([N-]C(=O)CC2CCC3(CCOCC3)CO2)=N1	REAL300001082622	1	44	-2.0	-111.11	353.14	4.79	-106.32
CC1=CC(C)=C(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C(C)=C1Br	REAL300001082623	1	38	-2.0	-107.81	346.48	7.73	-100.08
O=C([O-])CC1=CSC([N-]C(=O)C2CC3CCC(C2)S3)=N1	REAL300001082624	1	34	-2.0	-97.49	278.71	5.79	-91.70
COC1=CC=C(CCCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1OC	REAL300001082626	1	43	-2.0	-110.39	377.74	6.40	-103.99
O=C([O-])CC1=CSC([N-]C(=O)[C@@H]2[C@@H](C3=CC=CC=C3)C2(F)F)=N1	REAL300001082627	1	33	-2.0	-108.91	314.08	7.01	-101.90
CCOC1=CC=C(CCCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1OCC	REAL300001082628	1	49	-2.0	-110.29	421.45	8.25	-102.04
O=C([O-])CC1=CSC([N-]C(=O)CCCC2=CC=C(Br)C=C2)=N1	REAL300001082629	1	35	-2.0	-106.07	340.28	7.83	-98.24
O=C([O-])CC1=CSC([N-]C(=O)CCCCC2=CC=CC=C2)=N1	REAL300001082631	1	38	-2.0	-107.25	340.48	7.99	-99.26
CC1=C2OC=C(CC(=O)[N-]C3=NC(CC(=O)[O-])=CS3)C2=CC=C1Cl	REAL300001082632	1	35	-2.0	-107.15	339.33	7.07	-100.08
O=C([O-])CC1=CSC([N-]C(=O)CC2CCC3(CCC3)O2)=N1	REAL300001082635	1	37	-2.0	-113.87	320.26	5.61	-108.26
O=C([O-])CC1=CSC([N-]C(=O)C2CCOC3(CCC3)C2)=N1	REAL300001082636	1	37	-2.0	-107.80	313.95	4.65	-103.15
O=C([O-])CC1=CSC([N-]C(=O)CCC2=CC=CC(OCC3=CC=CC=C3)=C2)=N1	REAL300001082642	1	46	-2.0	-111.21	408.76	9.71	-101.50
O=C([O-])CC1=CSC([N-]C(=O)C2CC3(C2)CC(F)(F)C3)=N1	REAL300001082644	1	33	-2.0	-107.77	304.94	5.96	-101.81
CCSC1=CC=CC=C1CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001082645	1	36	-2.0	-113.25	335.02	7.39	-105.86
O=C([O-])CC1=CSC([N-]C(=O)CC2CCC3=C(C=CS3)C2=O)=N1	REAL300001082651	1	35	-2.0	-121.48	326.47	7.41	-114.07
COC1(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CCSC1	REAL300001082653	1	31	-2.0	-105.87	284.86	3.11	-102.76
CC12CC3CC(C1)CC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)(C3)C2	REAL300001082654	1	43	-2.0	-114.25	338.45	7.35	-106.90
O=C([O-])CC1=CSC([N-]C(=O)C2(C3CCCCC3)CC2)=N1	REAL300001082655	1	39	-2.0	-110.92	323.48	7.34	-103.58
O=C([O-])CC1=CSC([N-]C(=O)C2(C3=CC=C4OCCOC4=C3)CC2)=N1	REAL300001082656	1	39	-2.0	-119.46	341.76	6.92	-112.54
O=C([O-])CC1=CSC([N-]C(=O)COCCC2=CC=C(Br)C=C2)=N1	REAL300001082666	1	36	-2.0	-106.47	353.36	7.32	-99.15
O=C([O-])CC1=CSC([N-]C(=O)CCCC2=CC=C(C3CC3)C=C2)=N1	REAL300001082667	1	42	-2.0	-108.03	368.21	9.31	-98.72
O=C([O-])CC1=CSC([N-]C(=O)C2=CC3=C(CCOC3)NC2=O)=N1	REAL300001082668	1	34	-2.0	-130.65	310.28	2.46	-128.19
CC1(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CCCS1(=O)=O	REAL300001082671	1	32	-2.0	-117.38	295.04	2.41	-114.97
N#CC1(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC2CCC1C2	REAL300001082678	1	34	-2.0	-108.69	298.04	5.37	-103.32
COC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=C(Br)S1	REAL300001082680	1	30	-2.0	-105.53	320.91	5.46	-100.07
O=C([O-])CC1=CSC([N-]C(=O)C2CCOC3(CCCC3)C2)=N1	REAL300001082682	1	40	-2.0	-108.28	328.21	5.21	-103.07
CC1=CC(C)=C(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C(=O)N1	REAL300001082684	1	35	-2.0	-126.39	319.11	3.70	-122.69
O=C([O-])CC1=CSC([N-]C(=O)C2(CCCOCC3=CC=CC=C3)CC2)=N1	REAL300001082687	1	46	-2.0	-116.98	405.94	8.44	-108.54
CC(SC1=CC=C(F)C=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001082689	1	33	-2.0	-106.49	324.79	6.88	-99.61
O=C([O-])CC1=CSC([N-]C(=O)C[C@@H]2C[C@H]2CC2=CC=CC=C2)=N1	REAL300001082691	1	39	-2.0	-107.76	349.72	8.64	-99.12
CC1=CC=C(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1Cl	REAL300001082694	1	32	-2.0	-107.16	311.55	6.72	-100.44
CC1=CC(C)=NN1CCCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001082695	1	38	-2.0	-110.91	341.67	5.46	-105.45
CC1(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CCS(=O)(=O)N1	REAL300001082697	1	34	-2.0	-115.67	307.31	-0.24	-115.91
COC1=CC=CC(CC(C)CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1	REAL300001082699	1	42	-2.0	-110.04	361.16	6.92	-103.12
CC(C)C1CC(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CCO1	REAL300001082700	1	39	-2.0	-107.71	327.03	4.95	-102.76
O=C([O-])CC1=CSC([N-]C(=O)CC2CCCC(C(F)(F)F)O2)=N1	REAL300001082702	1	36	-2.0	-109.78	322.43	5.35	-104.43
O=C([O-])CC1=CSC([N-]C(=O)CC2CCC(C3CC3)O2)=N1	REAL300001082703	1	37	-2.0	-113.12	324.94	5.89	-107.23
O=C([O-])CC1=CSC([N-]C(=O)[C@H]2CC[C@H](NC3=CN=CC=N3)CC2)=N1	REAL300001082704	1	42	-2.0	-110.60	360.51	4.25	-106.35
O=C([O-])CC1=CSC([N-]C(=O)[C@H]2CC[C@H](NC3=NC=CC=N3)CC2)=N1	REAL300001082705	1	42	-2.0	-111.96	363.97	6.90	-105.06
O=C([O-])CC1=CSC([N-]C(=O)C2(CCC3=CC=CC=C3)CC2)=N1	REAL300001082708	1	39	-2.0	-117.05	348.73	8.62	-108.43
COC1=CC=C(CCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=N1	REAL300001082709	1	35	-2.0	-106.37	324.54	3.12	-103.25
CC1(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CCOC2=CC=CC=C21	REAL300001082710	1	37	-2.0	-107.95	319.23	5.90	-102.05
O=C([O-])CC1=CSC([N-]C(=O)C2(C3=CC=CC=C3)CCCO2)=N1	REAL300001082711	1	37	-2.0	-115.85	325.32	5.74	-110.11
CC1=C(C)C2=C(CCC(C)(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)O2)C(C)=C1O	REAL300001082712	1	47	-2.0	-112.00	386.42	5.22	-106.78
CC1=C(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C(C)N2N=CN=C2N1C	REAL300001082717	1	38	-2.0	-110.02	335.67	7.57	-102.45
CC1=CC(=O)C=C(C)N1CCCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001082721	1	41	-2.0	-113.17	355.69	6.61	-106.56
CC1=CC(F)=C(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1F	REAL300001082728	1	32	-2.0	-108.56	308.23	6.37	-102.19
O=C([O-])CC1=CSC([N-]C(=O)CC2=CC=CC=C2OC2CCCC2)=N1	REAL300001082731	1	43	-2.0	-114.47	369.95	7.88	-106.59
O=C([O-])CC1=CSC([N-]C(=O)CC2=CC=CC=C2OC2CCOC2)=N1	REAL300001082732	1	41	-2.0	-117.79	360.23	5.32	-112.47
O=C([O-])CC1=CSC([N-]C(=O)C2CCS(=O)(=O)C3=CC=CC=C32)=N1	REAL300001082734	1	36	-2.0	-112.13	333.22	3.08	-109.05
CC(C)(C)CCC1(O)CC(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C1	REAL300001082735	1	45	-2.0	-109.19	369.56	4.62	-104.57
O=C([O-])CC1=CSC([N-]C(=O)CC2=CC(F)=CC3=C2OCOC3)=N1	REAL300001082740	1	35	-2.0	-113.09	325.80	4.81	-108.28
O=C([O-])CC1=CSC([N-]C(=O)CCCOC2=CC=CC(Cl)=C2Cl)=N1	REAL300001082750	1	36	-2.0	-109.17	358.68	7.04	-102.13
NS(=O)(=O)C1=CN(CCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)N=C1	REAL300001082751	1	34	-2.0	-110.51	334.86	-1.54	-112.05
NS(=O)(=O)C1=CN(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)N=C1	REAL300001082753	1	31	-2.0	-113.09	312.70	-2.07	-115.16
NS(=O)(=O)C1=CC=C(OCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001082754	1	35	-2.0	-111.88	339.24	0.37	-111.51
CC1=NC(S(=O)(=O)NCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=CN1C	REAL300001082758	1	37	-2.0	-114.11	353.73	0.22	-113.89
CC1=NC(S(=O)(=O)NCCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=CN1C	REAL300001082759	1	40	-2.0	-114.62	375.77	0.85	-113.77
CC1=C(C)NC(=O)C(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=N1	REAL300001082762	1	31	-2.0	-132.01	292.00	2.40	-129.61
O=C([O-])CC1=CSC([N-]C(=O)C2CCN(C3=CC=CC=C3)C2)=N1	REAL300001082763	1	38	-2.0	-108.78	332.28	5.35	-103.43
CC1=CC=C(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C(Cl)=C1	REAL300001082764	1	32	-2.0	-109.21	311.73	6.72	-102.49
O=C([O-])CC1=CSC([N-]C(=O)CC2=CC3=CC=NC=C3C=C2)=N1	REAL300001082765	1	34	-2.0	-108.39	317.10	6.10	-102.29
O=C([O-])CC1=CSC([N-]C(=O)CC2=CC3=CNN=C3C=C2)=N1	REAL300001082766	1	32	-2.0	-111.97	302.35	4.33	-107.64
O=C([O-])CC1=CSC([N-]C(=O)CC2=CC=CC(C(F)F)=C2)=N1	REAL300001082767	1	32	-2.0	-109.24	308.27	6.48	-102.76
CC1=CC=CC(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1Cl	REAL300001082768	1	32	-2.0	-109.90	309.05	6.63	-103.27
CC1=CC=C2OC(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)CCC2=C1	REAL300001082776	1	37	-2.0	-111.23	329.89	7.19	-104.04
COC1=COC(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=CC1=O	REAL300001082778	1	29	-2.0	-105.74	284.91	2.97	-102.77
CC1=CSC(CCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=N1	REAL300001082780	1	31	-2.0	-108.60	304.08	4.13	-104.47
O=C([O-])CC1=CSC([N-]C(=O)C2CCC(=O)C3=CC=CN32)=N1	REAL300001082785	1	33	-2.0	-103.22	300.71	5.64	-97.58
CN1C=NC(S(=O)(=O)NCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1	REAL300001082792	1	34	-2.0	-115.15	334.21	0.43	-114.72
O=C([O-])CC1=CSC([N-]C(=O)CC(O)C2=CC(Cl)=CC(Cl)=C2)=N1	REAL300001082793	1	33	-2.0	-106.05	337.67	5.10	-100.95
CCC(C)(C)C1CCC2(CC2C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC1	REAL300001082794	1	51	-2.0	-110.02	388.26	9.02	-101.00
CC1=CC=C(OCCCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C(Cl)=C1	REAL300001082796	1	39	-2.0	-109.38	364.90	7.24	-102.14
CSCC1=NOC(CCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=N1	REAL300001082797	1	34	-2.0	-106.90	333.79	3.07	-103.83
O=C([O-])CC1=CSC([N-]C(=O)C2(CC3=CC=CS3)CCCCC2)=N1	REAL300001082800	1	42	-2.0	-110.31	351.40	9.38	-100.93
CC1=NC=CC(CCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=N1	REAL300001082805	1	33	-2.0	-109.00	308.50	4.41	-104.59
O=C([O-])CC1=CSC([N-]C(=O)C2CCN3C(=CN=C3C3=CC=CC=C3)C2)=N1	REAL300001082806	1	43	-2.0	-109.22	370.90	8.30	-100.92
O=C([O-])CC1=CSC([N-]C(=O)CC2=CC(Cl)=CC3=C2OCC3)=N1	REAL300001082808	1	34	-2.0	-112.41	328.64	5.98	-106.43
O=C([O-])CC1=CSC([N-]C(=O)C2COCCN2CC(F)F)=N1	REAL300001082814	1	35	-2.0	-105.92	311.79	1.43	-104.49
CC(C)(C)C(Br)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001082820	1	31	-2.0	-104.03	287.01	4.84	-99.19
CC1=CC(C)=NN1CCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001082822	1	35	-2.0	-108.83	320.17	4.65	-104.18
O=C([O-])CC1=CSC([N-]C(=O)C2=CC=C(C(F)(F)F)NC2=O)=N1	REAL300001082823	1	29	-2.0	-121.81	295.56	3.37	-118.44
O=C([O-])CC1=CSC([N-]C(=O)CNS(=O)(=O)C2=CC=CN=C2)=N1	REAL300001082824	1	33	-2.0	-107.33	325.17	-0.44	-107.77
CC1=CC=C(C(O)(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C(F)(F)F)O1	REAL300001082825	1	36	-2.0	-103.48	341.43	4.09	-99.39
O=C([O-])CC1=CSC([N-]C(=O)C2CCCCN2CC2=CC=C(F)C=C2)=N1	REAL300001082836	1	44	-2.0	-114.21	366.55	6.20	-108.01
O=C([O-])CC1=CSC([N-]C(=O)C2CCCN2CC2=CC=C(F)C=C2)=N1	REAL300001082837	1	41	-2.0	-110.30	359.64	5.79	-104.51
CC(C)C1=CC=C(C2(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)CCCC2)C=C1	REAL300001082839	1	48	-2.0	-119.25	391.27	10.11	-109.14
CC1=NN(C(C)CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001082848	1	35	-2.0	-108.53	314.98	4.66	-103.87
CC(C)(CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1)CC1=CC=C(Cl)C=C1	REAL300001082852	1	41	-2.0	-105.42	358.58	8.44	-96.98
CC(C)(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CSC(C2=CC=CS2)=N1	REAL300001082854	1	38	-2.0	-110.52	368.29	6.79	-103.73
O=C([O-])CC1=CSC([N-]C(=O)COCC2=CC=CC(Cl)=C2)=N1	REAL300001082855	1	33	-2.0	-108.34	327.30	6.42	-101.92
CC1=C(Br)C=C(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C(=O)N1	REAL300001082856	1	29	-2.0	-127.11	295.74	3.57	-123.54
O=C([O-])CC1=CSC([N-]C(=O)C2(CC3=CC=CC=C3)CCOCC2)=N1	REAL300001082861	1	43	-2.0	-107.83	347.36	8.32	-99.51
O=C([O-])CC1=CSC([N-]C(=O)CC2CCCS(=O)(=O)C2)=N1	REAL300001082863	1	35	-2.0	-111.92	314.75	1.93	-109.99
CC(C)C1CC(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CCO1	REAL300001082865	1	42	-2.0	-106.30	345.98	5.63	-100.67
CCC1CC(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CCO1	REAL300001082866	1	39	-2.0	-106.31	328.97	5.10	-101.21
COC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CN(C)N=C1	REAL300001082872	1	33	-2.0	-110.21	311.87	3.41	-106.80
CC(C)(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)S(=O)(=O)C1CC1	REAL300001082874	1	35	-2.0	-121.93	322.60	2.54	-119.39
CN1N=CC2=C1N=C(CCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1)NC2=O	REAL300001082876	1	37	-2.0	-106.77	345.31	3.64	-103.13
COC1=CC(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=CC=C1O	REAL300001082877	1	34	-2.0	-108.78	316.36	2.75	-106.03
O=C([O-])CC1=CSC([N-]C(=O)CC2=CC=C(O)C(F)=C2)=N1	REAL300001082878	1	30	-2.0	-106.94	293.33	2.84	-104.10
O=C([O-])CC1=CSC([N-]C(=O)CC2=CNC3=CC=C(Br)C=C23)=N1	REAL300001082880	1	33	-2.0	-112.07	329.37	6.29	-105.78
O=C([O-])CC1=CSC([N-]C(=O)C(O)CCC2=CC=CC=C2)=N1	REAL300001082882	1	36	-2.0	-106.48	329.33	5.03	-101.45
O=C([O-])CC1=CSC([N-]C(=O)C2(C3=CC=C(Cl)C=C3)CCCCC2)=N1	REAL300001082884	1	42	-2.0	-109.26	358.73	9.32	-99.94
CC(C)(C)C1=CC=C(C2(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)CCC2)C=C1	REAL300001082887	1	48	-2.0	-114.70	389.92	10.26	-104.44
CCC(NC1=NN=NN1C1=CC=CC=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001082890	1	42	-2.0	-104.41	371.95	6.77	-97.64
O=C([O-])CC1=CSC([N-]C(=O)C2(CC3=CC=CC(F)=C3)CCCCC2)=N1	REAL300001082894	1	45	-2.0	-107.92	367.17	10.34	-97.58
CCOCCS(=O)(=O)NCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001082901	1	37	-2.0	-108.47	349.57	-0.94	-109.41
O=C([O-])CC1=CSC([N-]C(=O)CC2=CC=C(Br)C(Cl)=C2)=N1	REAL300001082910	1	29	-2.0	-103.00	312.21	6.69	-96.31
CC1=C(Br)C=CC=C1CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001082911	1	32	-2.0	-106.46	310.95	6.61	-99.85
CC1=C(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C(=O)NC2=CC=CC=C21	REAL300001082913	1	35	-2.0	-127.70	323.02	4.35	-123.35
CC1=NOC(C)=C1C(C)(C)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001082916	1	37	-2.0	-105.58	315.29	5.14	-100.44
O=C([O-])CC1=CSC([N-]C(=O)C2(C3=CC=CN=C3)CC2)=N1	REAL300001082918	1	32	-2.0	-107.80	292.22	5.98	-101.82
CN(C)C1=CC=CC(CCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1	REAL300001082919	1	40	-2.0	-109.51	349.01	6.82	-102.69
CC1=C(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C(Br)C(=O)N1	REAL300001082920	1	29	-2.0	-104.49	294.80	3.25	-101.24
CC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)N(C)CC(F)(F)F	REAL300001082921	1	33	-2.0	-106.59	302.71	2.69	-103.90
O=C([O-])CC1=CSC([N-]C(=O)CC2=CN=CN2CC2=CC=CC=C2)=N1	REAL300001082926	1	39	-2.0	-115.67	351.19	8.29	-107.38
O=C([O-])CC1=CSC([N-]C(=O)C(CO)C2=CC=CC=C2)=N1	REAL300001082927	1	33	-2.0	-108.50	303.78	2.86	-105.64
O=C([O-])CC1=CSC([N-]C(=O)C(O)C2=CC=C(Cl)C=C2)=N1	REAL300001082929	1	30	-2.0	-103.23	300.94	4.08	-99.15
CC(C)CC1=CC=C(C(C)C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001082932	1	44	-2.0	-109.25	374.18	8.85	-100.40
O=C([O-])CC1=CSC([N-]C(=O)CCCN2C=NC3=CC=CC=C32)=N1	REAL300001082934	1	38	-2.0	-111.17	346.34	8.00	-103.17
CC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=CC(C(=O)C2=CC=CC=C2)=C1	REAL300001082937	1	44	-2.0	-114.10	389.63	9.40	-104.70
O=C([O-])CC1=CSC([N-]C(=O)C2CC3=CC=CC=C3C2)=N1	REAL300001082939	1	33	-2.0	-109.43	298.41	6.68	-102.75
O=C([O-])CC1=CSC(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])=N1	REAL300001082941	1	30	-2.0	-98.16	298.69	6.50	-91.66
O=C([O-])CC1=CSC([N-]C(=O)C2CCC(C(F)(F)F)CC2)=N1	REAL300001082942	1	35	-2.0	-105.04	315.64	6.11	-98.93
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CC(C)(C)C1=CC=C(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001082946	1	41	-2.0	-108.70	352.30	7.94	-100.76
C[C@@H](OCC1=CC=CC=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001082947	1	36	-2.0	-110.33	330.79	6.61	-103.72
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CC(C)(C)C1=CC=C(C(O)CCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001083002	1	48	-2.0	-108.57	402.49	6.40	-102.17
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CN1CCN(C(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C2=CC=CC=C2)CC1	REAL300001083011	1	46	-2.0	-109.22	382.68	4.31	-104.91
CC(C)CC1=CC=C([C@H](C)C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001083018	1	44	-2.0	-109.26	374.17	8.85	-100.41
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CCN1N=C(C)C(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1C	REAL300001083072	1	38	-2.0	-111.22	338.75	5.24	-105.98
CC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=C(S(C)(=O)=O)C=C1	REAL300001083073	1	38	-2.0	-112.28	353.71	3.69	-108.59
CSC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=CC=C1	REAL300001083077	1	33	-2.0	-107.38	314.60	6.79	-100.59
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CN(C)S(=O)(=O)NCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001083080	1	32	-2.0	-106.51	307.22	-1.46	-107.97
CC(C)C1=NC=CN1CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001083081	1	35	-2.0	-105.10	318.69	5.52	-99.58
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CN(C)C(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=C(Cl)C=C1	REAL300001083083	1	37	-2.0	-106.31	343.98	5.15	-101.16
CC=CCOC1=CC=CC(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1	REAL300001083086	1	40	-2.0	-110.51	362.05	7.29	-103.22
CC(C)CC1=CC=CC(C(C)C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1	REAL300001083089	1	44	-2.0	-109.32	374.18	8.84	-100.48
COCCOC1=CC=CC(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1	REAL300001083092	1	40	-2.0	-112.69	361.07	5.12	-107.57
O=C([O-])CC1=CSC([N-]C(=O)CCCOC2=CC=C3CCCC3=C2)=N1	REAL300001083098	1	43	-2.0	-109.10	373.00	7.92	-101.18
CC1=NN(C(C)C)C(C)=C1CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001083101	1	41	-2.0	-111.14	359.55	5.94	-105.20
O=C([O-])CC1=CSC([N-]C(=O)CN2C3=CC=CC=C3N=C2C2CCCCC2)=N1	REAL300001083105	1	48	-2.0	-110.70	406.84	9.41	-101.29
NC1=C2N=CN(CCCCC(=O)[N-]C3=NC(CC(=O)[O-])=CS3)C2=NC=N1	REAL300001083107	1	41	-2.0	-113.06	372.59	6.57	-106.49
CCC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)N1CCOC(CC)C1	REAL300001083108	1	44	-2.0	-109.73	355.70	3.34	-106.39
CCN(CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1)CC1=CC=CC=C1Cl	REAL300001083109	1	40	-2.0	-111.16	356.55	5.72	-105.44
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O=C([O-])CC1=CSC([N-]C(=O)C2CCCN(CC(F)F)C2)=N1	REAL300001083112	1	37	-2.0	-109.46	323.59	3.76	-105.70
CN(CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=NC2=CC=CC=C2S1	REAL300001083120	1	36	-2.0	-115.08	343.30	6.70	-108.38
O=C([O-])CC1=CSC([N-]C(=O)[C@@H](O)CC2=CC=CC=C2)=N1	REAL300001083123	1	33	-2.0	-106.71	307.77	4.24	-102.47
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CC1=CC=C(F)C(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1	REAL300001083126	1	32	-2.0	-112.51	302.93	6.32	-106.19
CC1=CC(C(F)(F)F)=NN1CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001083135	1	32	-2.0	-105.31	318.58	4.47	-100.84
CC(CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CNC2=CC=CC=C12	REAL300001083137	1	39	-2.0	-111.22	345.52	7.00	-104.22
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3=NC(CC(=O)[O-])=CS3)=N2)=C1	REAL300001083141	0	43	-2.0	-113.02	383.19	7.20	-105.82
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=NC(CC(=O)[O-])=CS3)=N2)C=C1	REAL300001083142	0	43	-2.0	-111.28	383.13	7.20	-104.08
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CC(OC1=CC=CC(CO)=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001083146	1	37	-2.0	-112.56	335.70	3.31	-109.25
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CC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CN(C)C2=CC=CC=C12	REAL300001083154	1	39	-2.0	-112.99	349.37	7.97	-105.02
CC1=NC2=CC=CC=C2N1CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001083157	1	35	-2.0	-109.06	324.05	6.48	-102.58
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NS(=O)(=O)N1CCCC(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C1	REAL300001083159	1	36	-2.0	-110.04	326.37	-1.07	-111.11
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CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001083161	1	40	-2.0	-117.56	359.69	2.82	-114.74
CC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1OCCC2=C1C=CS2	REAL300001083162	1	37	-2.0	-111.09	334.65	6.36	-104.73
N#CC1(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CCSCC1	REAL300001083169	1	31	-2.0	-103.95	291.73	4.73	-99.22
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CC1(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CCC2(CC1)OCCO2	REAL300001083173	1	41	-2.0	-111.47	337.18	4.44	-107.03
CS(=O)(=O)NC1=CC=CC(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1	REAL300001083176	1	37	-2.0	-111.29	349.67	2.33	-108.96
CC1=NC(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C(C)S1	REAL300001083177	1	31	-2.0	-110.98	301.55	3.98	-107.00
O=C([O-])CC1=CSC([N-]C(=O)C2CN(CC3=CC=CC=C3)CCO2)=N1	REAL300001083180	1	42	-2.0	-109.76	363.75	5.01	-104.75
COC1=CC(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=CC(OC)=C1O	REAL300001083182	1	38	-2.0	-109.15	345.58	2.63	-106.52
O=C([O-])CC1=CSC([N-]C(=O)C2(C(F)(F)F)CCC2)=N1	REAL300001083183	1	29	-2.0	-107.50	277.60	5.14	-102.36
COCCS(=O)(=O)CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001083184	1	32	-2.0	-116.07	312.75	-0.42	-116.49
CN(CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=C2NC=NC2=NC=N1	REAL300001083186	1	35	-2.0	-112.39	317.63	4.44	-107.95
O=C([O-])CC1=CSC([N-]C(=O)CCCC2=CC=CC=N2)=N1	REAL300001083187	1	34	-2.0	-112.78	313.18	5.43	-107.35
CCC1=CC=CC=C1OC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=CC=C1	REAL300001083188	1	46	-2.0	-114.34	404.00	10.49	-103.85
CC1=CC=CC(COC2=CC=CC(CC(=O)[N-]C3=NC(CC(=O)[O-])=CS3)=C2)=C1	REAL300001083189	1	46	-2.0	-111.76	408.78	9.57	-102.19
COC1=CC=CC(C(O)C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1	REAL300001083195	1	34	-2.0	-109.50	313.50	2.89	-106.61
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CC(C)(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1CCCCC1	REAL300001083200	1	41	-2.0	-109.62	324.89	6.68	-102.94
COCC1(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CCOCC1	REAL300001083201	1	37	-2.0	-110.09	313.79	2.88	-107.21
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COC1=CC=C2CCC(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)C2=C1	REAL300001083215	1	37	-2.0	-119.04	325.42	6.34	-112.70
COC1=CC=C2ON=C(CC(=O)[N-]C3=NC(CC(=O)[O-])=CS3)C2=C1	REAL300001083219	1	35	-2.0	-113.28	329.00	4.24	-109.04
CN(C)S(=O)(=O)C1=CC=C(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001083220	1	40	-2.0	-111.60	370.84	3.66	-107.94
O=C([O-])CC1=CSC([N-]C(=O)CCC2=CC=CC=C2N2CCOCC2)=N1	REAL300001083221	1	45	-2.0	-110.65	382.84	5.86	-104.79
O=C([O-])CC1=CSC([N-]C(=O)CC(O)C2=CC=C(Cl)C=C2)=N1	REAL300001083222	1	33	-2.0	-107.28	320.93	4.61	-102.67
CC1(C)CC(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C2=CC=CC=C2O1	REAL300001083223	1	40	-2.0	-110.42	338.24	7.39	-103.03
COC1=CC=CC(CC2(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)CCCCC2)=C1	REAL300001083224	1	49	-2.0	-112.24	390.26	9.57	-102.67
O=C([O-])CC1=CSC([N-]C(=O)C2(CC3=CC=CC(Cl)=C3)CCCCC2)=N1	REAL300001083225	1	45	-2.0	-108.15	377.49	10.78	-97.37
CC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC2=CC=CC=C2C=C1	REAL300001083228	1	38	-2.0	-110.64	338.93	8.41	-102.23
CC(C)(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=C2OCOC2=C1	REAL300001083229	1	38	-2.0	-111.45	334.72	5.24	-106.21
CC(O)(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=C(Cl)C=C1	REAL300001083230	1	33	-2.0	-105.66	316.81	3.58	-102.08
O=C([O-])CC1=CSC([N-]C(=O)C2CC3=CC(Br)=CC=C3O2)=N1	REAL300001083232	1	31	-2.0	-106.60	312.08	6.37	-100.23
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=NC(CC(=O)[O-])=CS2)=N1	REAL300001083233	0	37	-2.0	-107.21	345.25	6.27	-100.94
CC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)N1CCSCC1	REAL300001083235	1	35	-2.0	-105.50	307.70	3.37	-102.13
CC(C)CC1=CC=C(CCCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001083236	1	47	-2.0	-107.73	400.14	9.89	-97.84
O=C([O-])CC1=CSC(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])=N1	REAL300001083238	0	34	-2.0	-108.57	329.34	5.35	-103.22
COC1=CC=C(COCCCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001083240	1	43	-2.0	-109.78	382.53	5.79	-103.99
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CC1=NNC(C)=C1C(C)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001083260	1	35	-2.0	-108.90	306.48	3.49	-105.41
CC(C)(C)C1=CN=C(CCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)O1	REAL300001083263	1	40	-2.0	-108.81	355.99	3.88	-104.93
CSC1=CC=CC=C1CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001083264	1	33	-2.0	-112.80	313.56	6.54	-106.26
CCC1=NN(C)C(CC)=C1CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001083265	1	41	-2.0	-111.25	360.97	5.86	-105.39
CCSC1=CC=C(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001083266	1	36	-2.0	-107.25	337.79	7.48	-99.77
O=C([O-])CC1=CSC(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)=N1	REAL300001083269	0	32	-2.0	-111.14	302.50	6.13	-105.01
CC1=CC=CC(Cl)=C1CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001083271	1	32	-2.0	-110.03	307.22	6.55	-103.48
CC(C)(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1CCOCC1	REAL300001083277	1	39	-2.0	-109.92	315.11	4.37	-105.55
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CN(C)S(=O)(=O)N(C)CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001083281	1	35	-2.0	-104.85	323.88	0.57	-104.28
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CC1=CC(C(C)(C)C)=CC=C1OCCCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001083290	1	51	-2.0	-108.25	423.71	9.09	-99.16
CC(OCC1=CC=NC=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001083298	1	35	-2.0	-109.32	325.44	4.90	-104.42
CN1C=NC=C1[C@@H]1C[C@H]1C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001083299	1	33	-2.0	-111.56	307.18	6.17	-105.39
CCC1=CC=C(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)N=C1	REAL300001083301	1	34	-2.0	-113.98	312.46	5.42	-108.56
CCON1CCC(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC1	REAL300001083303	1	41	-2.0	-106.07	341.28	3.98	-102.09
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CC1=CC(N(C)C)=CC(C)=C1CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001083309	1	43	-2.0	-111.53	362.59	7.08	-104.45
N#CC1(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC12CCCC2	REAL300001083311	1	34	-2.0	-110.59	307.20	6.10	-104.49
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CC(=O)C1=CC=C(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001083323	1	34	-2.0	-108.85	316.61	6.02	-102.83
CN1C=C(S(=O)(=O)NCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=N1	REAL300001083324	1	34	-2.0	-108.95	334.74	-0.96	-109.91
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CC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)N1CCC2=CC=CC=C2C1	REAL300001083327	1	41	-2.0	-109.20	344.30	5.47	-103.73
CC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)N1CCN(C2=CC=C(F)C=C2)CC1	REAL300001083329	1	46	-2.0	-107.96	383.24	4.59	-103.37
CC1=CN=CC(CCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1	REAL300001083332	1	34	-2.0	-107.18	313.79	5.29	-101.89
O=C([O-])CC1=CSC([N-]C(=O)C2CCCC2C2=CC=CC=C2)=N1	REAL300001083334	1	39	-2.0	-106.92	330.08	7.75	-99.17
CC1=CN=C(COCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)O1	REAL300001083336	1	32	-2.0	-113.09	307.99	1.44	-111.65
O=C([O-])CC1=CSC([N-]C(=O)C2CC23CCOC2=CC=CC=C23)=N1	REAL300001083341	1	38	-2.0	-110.01	330.93	6.66	-103.35
COC(CC1=CC=CC=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001083343	1	36	-2.0	-110.59	322.02	6.08	-104.51
O=C([O-])CC1=CSC([N-]C(=O)C(C2=CC=CC=C2F)N2CCOCC2)=N1	REAL300001083344	1	42	-2.0	-116.97	363.36	4.53	-112.44
CCC(CC)C(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)N1CCOCC1	REAL300001083346	1	47	-2.0	-109.83	365.25	5.71	-104.12
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O=C([O-])CC1=CSC([N-]C(=O)C2(C3=CC=CC=N3)CC2)=N1	REAL300001083360	1	32	-2.0	-109.47	296.82	6.00	-103.47
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CC1=CC=C(C(C)C(O)C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001083362	1	39	-2.0	-106.15	341.29	6.17	-99.98
CC(C1=CC=CC=C1)C(C)(O)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001083363	1	39	-2.0	-106.93	331.98	4.45	-102.48
NS(=O)(=O)C1=CC=C(NCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C(F)=C1	REAL300001083366	1	36	-2.0	-108.83	348.67	-1.03	-109.86
O=C([O-])CC1=CSC([N-]C(=O)C2CCCN3C=C(C(F)(F)F)N=C23)=N1	REAL300001083380	1	36	-2.0	-125.92	337.19	6.23	-119.69
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CN1CCC(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C2=CC=CC=C21	REAL300001083384	1	38	-2.0	-111.00	321.97	6.17	-104.83
CC(C)[C@H](NCC(F)(F)F)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001083385	1	36	-2.0	-106.08	323.89	4.07	-102.01
CN1C=C(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C(=O)NC1=O	REAL300001083387	1	29	-2.0	-119.59	281.90	1.57	-118.02
O=C([O-])CC1=CSC([N-]C(=O)C2=CC(C(F)(F)F)=CNC2=O)=N1	REAL300001083389	1	29	-2.0	-126.23	295.42	3.46	-122.77
O=C([O-])CC1=CSC([N-]C(=O)CC2=NN3C=CC=NC3=N2)=N1	REAL300001083392	1	30	-2.0	-124.69	293.31	5.53	-119.16
O=C([O-])CC1=CSC([N-]C(=O)C2CCCN2CC2=CC=CC=N2)=N1	REAL300001083394	1	40	-2.0	-112.43	349.68	4.21	-108.22
O=C([O-])CC1=CSC([N-]C(=O)CC2=CC=C(F)C=C2Br)=N1	REAL300001083409	1	29	-2.0	-105.20	300.18	6.18	-99.02
O=C([O-])CC1=CSC([N-]C(=O)CC2=COC3=CC=CC=C23)=N1	REAL300001083410	1	32	-2.0	-110.94	304.01	5.98	-104.96
CC1=C(CCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)SC=N1	REAL300001083411	1	31	-2.0	-106.54	301.47	4.16	-102.38
CC(C)C(OC1=CC=C(Cl)C=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001083412	1	39	-2.0	-106.15	349.83	8.54	-97.61
O=C([O-])CC1=CSC([N-]C(=O)CCC2=CC=C(F)C=C2F)=N1	REAL300001083414	1	32	-2.0	-107.27	309.37	6.53	-100.74
CC1=CC=CC(C)=C1NCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001083416	1	37	-2.0	-107.82	322.60	5.15	-102.67
O=C([O-])CC1=CSC([N-]C(=O)C2CCC3=CNN=C3C2)=N1	REAL300001083418	1	33	-2.0	-113.65	296.13	3.68	-109.97
O=C([O-])CC1=CSC([N-]C(=O)C(C2=CC=CC(F)=C2)N2CCOCC2)=N1	REAL300001083420	1	42	-2.0	-109.51	365.30	4.47	-105.04
O=C([O-])CC1=CSC([N-]C(=O)CCCOC2=CC=CN=C2)=N1	REAL300001083421	1	35	-2.0	-109.06	322.34	4.23	-104.83
O=C([O-])CC1=CSC([N-]C(=O)C2CCSC3=CC=CC=C32)=N1	REAL300001083423	1	34	-2.0	-111.04	314.85	6.74	-104.30
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=NC(CC(=O)[O-])=CS3)=N2)=C1	REAL300001083424	0	37	-2.0	-114.87	347.68	5.93	-108.94
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=NC(CC(=O)[O-])=CS2)=N1	REAL300001083425	0	40	-2.0	-112.34	357.21	7.07	-105.27
C[C@H](CC1=CC=CC=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001083426	1	35	-2.0	-108.25	313.86	6.91	-101.34
C=CCC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=CC=C1	REAL300001083427	1	36	-2.0	-110.11	325.91	7.43	-102.68
CC(O)(CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=CC=C1	REAL300001083428	1	36	-2.0	-108.89	317.56	4.53	-104.36
O=C([O-])CC1=CSC([N-]C(=O)CC2=NSC3=CC=CC=C32)=N1	REAL300001083430	1	31	-2.0	-110.87	306.85	5.61	-105.26
CCC(O)(CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=CC=C1	REAL300001083431	1	39	-2.0	-104.37	333.10	5.30	-99.07
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CC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=C2OCOC2=C1	REAL300001083435	1	35	-2.0	-107.40	319.04	4.82	-102.58
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CC1(C)CCCC(O)(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C1	REAL300001083443	1	39	-2.0	-106.89	318.29	3.55	-103.34
CC1=CC=CC(=O)N1CC(C)(O)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001083446	1	39	-2.0	-115.39	334.82	2.82	-112.57
CC1=CC(=O)N(CC(C)(O)C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001083447	1	39	-2.0	-115.52	345.42	2.71	-112.81
O=C([O-])CC1=CSC([N-]C(=O)CC2=C3CCCCC3=NN2)=N1	REAL300001083451	1	36	-2.0	-108.13	318.70	4.32	-103.81
O=C([O-])CC1=CSC([N-]C(=O)C2CCCC3=NNC=C32)=N1	REAL300001083452	1	33	-2.0	-106.78	293.10	4.09	-102.69
O=C([O-])CC1=CSC([N-]C(=O)CC(O)COCC2=CC=CC=C2)=N1	REAL300001083456	1	40	-2.0	-111.85	362.87	4.24	-107.61
CS(=O)(=O)CCC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=CC=C1	REAL300001083457	1	41	-2.0	-109.94	372.93	5.30	-104.64
O=C([O-])CC1=CSC([N-]C(=O)C(O)C(O)(C2=CC=CC=C2)C(F)(F)F)=N1	REAL300001083459	1	37	-2.0	-111.34	340.41	3.13	-108.21
O=C([O-])CC1=CSC([N-]C(=O)CC2=CN=CC3=CC=CC=C32)=N1	REAL300001083460	1	34	-2.0	-113.11	314.00	5.98	-107.13
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O=C([O-])CC1=CSC([N-]C(=O)C2CSCCS2)=N1	REAL300001083741	1	28	-2.0	-108.63	279.94	4.67	-103.96
CC1=NNC(C)=C1CCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001083742	1	35	-2.0	-108.19	317.98	3.96	-104.23
O=C([O-])CC1=CSC([N-]C(=O)CC2=CSC(C3=CC=CC=N3)=N2)=N1	REAL300001083743	1	34	-2.0	-123.85	335.14	4.72	-119.13
NS(=O)(=O)C1=CC=C(CCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001083746	1	37	-2.0	-112.03	351.73	1.38	-110.65
O=C([O-])CC1=CSC([N-]C(=O)C(C2=CC=CC=C2)N2CCSCC2)=N1	REAL300001083749	1	42	-2.0	-110.83	359.14	6.66	-104.17
CC(C)C(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)N1CC(C)OC(C)C1	REAL300001083750	1	47	-2.0	-109.94	377.47	4.48	-105.46
O=C([O-])CC1=CSC([N-]C(=O)C2CCC(=O)C3=CC=CC=C32)=N1	REAL300001083755	1	35	-2.0	-108.39	315.70	6.38	-102.01
COC(=CC1=CC=CC=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001083757	1	34	-2.0	-110.54	313.22	6.32	-104.22
CC1=C(CCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=NN1C	REAL300001083764	1	35	-2.0	-109.24	318.07	4.63	-104.61
COC1=NOC(CCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1	REAL300001083765	1	32	-2.0	-104.59	305.43	2.00	-102.59
CC1=CC=C(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1O	REAL300001083767	1	33	-2.0	-108.71	307.19	3.52	-105.19
O=C([O-])CC1=CSC([N-]C(=O)CC2CCN(CC(F)F)CC2)=N1	REAL300001083771	1	40	-2.0	-112.48	333.80	3.97	-108.51
O=C([O-])CC1=CSC([N-]C(=O)C2(C3CCCCC3)CCCCC2)=N1	REAL300001083775	1	48	-2.0	-107.38	354.49	10.28	-97.10
O=C([O-])CC1=CSC([N-]C(=O)CC2=CNC3=CC=CC(Cl)=C23)=N1	REAL300001083776	1	33	-2.0	-115.34	320.67	6.04	-109.30
CC1=CC(C)=NC(=O)N1CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001083777	1	34	-2.0	-123.95	313.86	3.10	-120.85
CC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=C(C(F)(F)F)C=C1	REAL300001083778	1	35	-2.0	-104.25	331.75	7.17	-97.08
O=C([O-])CC1=CSC([N-]C(=O)C2CSC(C3=CC=CC=C3O)=N2)=N1	REAL300001083783	1	35	-2.0	-114.55	336.57	2.53	-112.02
CCCC1CC(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CCO1	REAL300001083784	1	39	-2.0	-107.44	332.76	5.13	-102.31
O=C([O-])CC1=CSC([N-]C(=O)COC2=NSN=C2N2CCOCC2)=N1	REAL300001083791	1	38	-2.0	-104.40	352.86	0.43	-103.97
CS(=O)(=O)C1=CC=C(NCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001083792	1	37	-2.0	-110.32	349.66	1.45	-108.87
CC(OC1=CC=C(C(F)(F)F)C=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001083794	1	36	-2.0	-104.92	341.38	7.03	-97.89
CC1=CC=C(OCCCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C(C)=C1	REAL300001083796	1	42	-2.0	-108.61	368.95	7.43	-101.18
CC1=NNC(C)=C1C(C)CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001083799	1	38	-2.0	-108.21	324.78	4.19	-104.02
O=C([O-])CC1=CSC([N-]C(=O)C2CCCN(CC(F)(F)F)C2)=N1	REAL300001083801	1	37	-2.0	-105.71	330.15	3.92	-101.79
C[C@H](OC1=CC=C(Cl)C=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001083802	1	33	-2.0	-105.64	319.36	6.54	-99.10
CC1=NN(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1C1=CC=CC=C1	REAL300001083805	1	39	-2.0	-112.60	355.67	7.18	-105.42
CC(C)(O)C(OC1=CC=CC=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001083806	1	40	-2.0	-114.61	343.22	5.07	-109.54
O=C([O-])CC1=CSC([N-]C(=O)C2CCC3=NC=CN3C2)=N1	REAL300001083809	1	33	-2.0	-103.10	296.82	5.06	-98.04
O=C([O-])CC1=CSC([N-]C(=O)CC(C2=CC=C(O)C=C2)C2CC2)=N1	REAL300001083811	1	40	-2.0	-108.16	353.63	5.50	-102.66
O=C([O-])CC1=CSC([N-]C(=O)C2CCN3C=CN=C3C2)=N1	REAL300001083813	1	33	-2.0	-112.33	296.83	5.09	-107.24
O=C([O-])CC1=CSC([N-]C(=O)C2CCC3=CN=CN3C2)=N1	REAL300001083814	1	33	-2.0	-103.61	296.69	5.78	-97.83
O=C([O-])CC1=CSC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)=N1	REAL300001083815	0	35	-2.0	-100.47	326.56	8.51	-91.96
O=C([O-])CC1=CSC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)=N1	REAL300001083815	1	35	-2.0	-100.68	326.61	8.48	-92.20
CC(C)C[C@H](NCC(F)(F)F)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001083816	1	39	-2.0	-104.47	346.38	5.16	-99.31
NS(=O)(=O)CCCCCCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001083817	1	39	-2.0	-116.05	358.80	0.76	-115.29
O=C([O-])CC1=CSC([N-]C(=O)C2(N3CCOCC3)CC2)=N1	REAL300001083821	1	36	-2.0	-110.94	309.62	2.99	-107.95
CC(C)(O)C1CCC(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC1	REAL300001083822	1	42	-2.0	-108.71	340.23	3.51	-105.20
O=C([O-])CC1=CSC([N-]C(=O)C2(OC3=CC=C(Cl)C=C3)CC2)=N1	REAL300001083824	1	34	-2.0	-107.67	328.97	6.55	-101.12
O=C([O-])CC1=CSC([N-]C(=O)CC2CS(=O)(=O)C2)=N1	REAL300001083825	1	29	-2.0	-110.43	282.55	0.57	-109.86
CC(C)N1C=CC(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=N1	REAL300001083826	1	35	-2.0	-116.96	318.33	4.79	-112.17
O=C([O-])CC1=CSC([N-]C(=O)CCC2=NC3=CC=CC=C3C=C2)=N1	REAL300001083828	1	37	-2.0	-114.40	337.97	6.80	-107.60
O=C([O-])CC1=CSC([N-]C(=O)CCC2=NC3=CC=CC=C3N2)=N1	REAL300001083831	1	35	-2.0	-111.39	323.75	5.12	-106.27
O=C([O-])CC1=CSC([N-]C(=O)COCC2=NC3=CC=CC=C3S2)=N1	REAL300001083833	1	35	-2.0	-114.61	342.24	5.33	-109.28
CN(C)C1=CC=C(CCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001083840	1	40	-2.0	-109.36	349.01	6.83	-102.53
O=C([O-])CC1=CSC([N-]C(=O)C(O)C(O)C2=NC3=CC=CC=C3S2)=N1	REAL300001083841	1	36	-2.0	-110.97	346.67	1.10	-109.87
CN(CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=CC=C1	REAL300001083846	1	34	-2.0	-109.00	306.65	5.86	-103.14
CN(CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1)CC1=CC=CC=C1	REAL300001083848	1	37	-2.0	-107.78	326.56	4.69	-103.09
CC(C)CC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)N1C=CN=C1	REAL300001083860	1	38	-2.0	-107.17	335.42	7.09	-100.08
CC(CC1=CC=C(Br)C=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001083868	1	35	-2.0	-105.28	335.16	7.52	-97.76
O=C([O-])CC1=CSC([N-]C(=O)C2CCN(C3=CN=CC4=NN=NN43)CC2)=N1	REAL300001083872	1	41	-2.0	-111.79	355.54	4.57	-107.22
CCOC1=C2C(CC(=O)[N-]C3=NC(CC(=O)[O-])=CS3)=CNC2=CC=C1	REAL300001083874	1	40	-2.0	-118.04	358.00	5.94	-112.10
O=C([O-])CC1=CSC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL300001083883	0	30	-2.0	-89.76	297.90	2.72	-87.04
O=C([O-])CC1=CSC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL300001083883	1	30	-2.0	-89.75	297.97	2.72	-87.03
CC(CC1=CN(C)N=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001083884	1	35	-2.0	-109.45	317.23	4.64	-104.81
COC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=CC=C1C(F)(F)F	REAL300001083906	1	36	-2.0	-111.44	334.75	7.44	-104.00
CC1=CC=CC=C1C(C)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001083921	1	35	-2.0	-109.94	310.28	6.68	-103.26
CCC1=NOC(COCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=N1	REAL300001083929	1	34	-2.0	-110.36	323.64	2.12	-108.24
O=C([O-])CC1=CSC([N-]C(=O)CN2N=C(C(F)(F)F)C3=C2CCCC3)=N1	REAL300001083936	1	39	-2.0	-108.44	357.38	6.19	-102.25
O=C([O-])CC1=CSC([N-]C(=O)C23CCOC2CCCC3)=N1	REAL300001083940	1	37	-2.0	-114.25	302.94	4.70	-109.55
O=C([O-])CC1=CSC([N-]C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)=N1	REAL300001083941	1	43	-2.0	-111.93	361.61	2.38	-109.55
CC1=NN(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C2=NC=CC=C12	REAL300001083945	1	34	-2.0	-120.90	321.63	5.01	-115.89
CCCOC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=C(F)C=C1C	REAL300001083946	1	42	-2.0	-105.80	370.99	8.61	-97.19
CN(C)C1=CC=C([C@@H]2C[C@H]2C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001083949	1	41	-2.0	-112.04	355.51	7.38	-104.66
O=C([O-])CC1=CSC([N-]C(=O)C2COC3=C(F)C=C(F)C=C3C2)=N1	REAL300001083950	1	34	-2.0	-102.74	319.53	5.62	-97.12
COC1=CC(OC)=CC(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1	REAL300001083952	1	37	-2.0	-112.22	335.08	4.23	-107.99
O=C([O-])CC1=CSC([N-]C(=O)C(CCC2=CC=CC=C2)CC2=CC=CC=C2)=N1	REAL300001083956	1	48	-2.0	-110.45	409.70	12.61	-97.84
O=C([O-])CC1=CSC([N-]C(=O)CCCCCCCCC2CC2)=N1	REAL300001083957	1	47	-2.0	-106.15	398.18	9.66	-96.49
O=C([O-])CC1=CSC([N-]C(=O)[C@]23CCO[C@@H]2CCCCC3)=N1	REAL300001083958	1	40	-2.0	-108.99	304.19	5.10	-103.89
CC12CCC(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)(CC1)CO2	REAL300001083959	1	37	-2.0	-109.68	310.77	4.37	-105.31
O=C([O-])CC1=CSC([N-]C(=O)C2CCCC3=CNN=C32)=N1	REAL300001083961	1	33	-2.0	-119.36	295.46	3.84	-115.52
CC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC(F)=CC(F)=C1	REAL300001083968	1	32	-2.0	-103.64	305.80	6.30	-97.34
CC(CCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=C(Br)C=C1	REAL300001083969	1	38	-2.0	-106.09	354.57	8.19	-97.90
O=C([O-])CC1=CSC([N-]C(=O)COCC2=CC=C(C(F)(F)F)C=C2)=N1	REAL300001083970	1	36	-2.0	-106.96	349.30	6.91	-100.05
COC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC(F)=CC(F)=C1	REAL300001083973	1	33	-2.0	-104.07	321.23	5.80	-98.27
CC1(C)CC2(CC(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)C2)C1	REAL300001083975	1	39	-2.0	-108.72	329.02	6.80	-101.92
C[C@@H]1C[C@H](C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC(C)(C)C1	REAL300001083978	1	41	-2.0	-110.03	333.08	6.67	-103.36
CC1(C)C2CCC(C2)C1C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001083980	1	39	-2.0	-112.02	310.72	6.36	-105.66
O=C([O-])CC1=CSC([N-]C(=O)C2(C3=CC=CS3)CC2)=N1	REAL300001083985	1	30	-2.0	-109.73	290.78	6.77	-102.96
CCC(C)(COCC1=CC=CC=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001083986	1	45	-2.0	-107.90	385.81	7.58	-100.32
O=C([O-])CC1=CSC([N-]C(=O)C(CCC2=CC=CC=C2)C2=CC=CC=C2)=N1	REAL300001083987	1	45	-2.0	-110.83	395.35	10.60	-100.23
O=C([O-])CC1=CSC([N-]C(=O)C2(C3CCOCC3)CC2)=N1	REAL300001083988	1	37	-2.0	-112.16	314.30	4.94	-107.22
CC1(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC2CCC(C1)S2	REAL300001083990	1	37	-2.0	-110.69	308.01	6.28	-104.41
CC1(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC2CCC(C1)S2(=O)=O	REAL300001083991	1	39	-2.0	-104.85	314.92	2.75	-102.10
O=C([O-])CC1=CSC([N-]C(=O)[C@@H]2CCO[C@H]2C(F)(F)F)=N1	REAL300001083992	1	30	-2.0	-102.87	289.54	3.09	-99.78
O=C([O-])CC1=CSC([N-]C(=O)C(O)CC2=CC(Cl)=CC(Cl)=C2)=N1	REAL300001083994	1	33	-2.0	-102.04	341.25	5.26	-96.78
O=C([O-])CC1=CSC([N-]C(=O)C(O)C2=CC=CC3=C2OCC3)=N1	REAL300001083995	1	35	-2.0	-114.39	319.49	3.46	-110.93
O=C([O-])CC1=CSC([N-]C(=O)[C@@H]2C[C@H]2C2=CC=C(OC(F)F)C=C2)=N1	REAL300001083997	1	37	-2.0	-111.77	343.25	6.55	-105.22
O=C([O-])CC1=CSC([N-]C(=O)CCC2CC(F)(F)C2)=N1	REAL300001083999	1	32	-2.0	-104.81	299.07	5.65	-99.16
O=C([O-])CC1=CSC([N-]C(=O)C2COC3=CC(Cl)=CC=C3C2)=N1	REAL300001084000	1	34	-2.0	-103.59	323.71	6.00	-97.59
O=C([O-])CC1=CSC([N-]C(=O)[C@@H]2C[C@H]2C2=CC=C(Br)C=C2F)=N1	REAL300001084001	1	33	-2.0	-110.69	330.83	7.63	-103.06
CC1(C)COCC(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)O1	REAL300001084002	1	37	-2.0	-111.32	318.52	3.81	-107.51
O=C([O-])CC1=CSC([N-]C(=O)CCCCC(F)(F)F)=N1	REAL300001084003	1	31	-2.0	-105.05	298.71	5.35	-99.70
O=C([O-])CC1=CSC([N-]C(=O)[C@H]2C[C@@H](OC(F)F)C2)=N1	REAL300001084004	1	30	-2.0	-108.98	288.37	3.25	-105.73
CC1=NC2=C(CCCC2CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)O1	REAL300001084010	1	38	-2.0	-118.76	330.14	4.46	-114.30
CCCCCC1=CC=CC(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1	REAL300001084012	1	44	-2.0	-108.67	383.47	9.39	-99.28
CC(=O)N1CSC[C@@H]1C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001084016	1	31	-2.0	-114.70	293.42	4.16	-110.54
COCC1(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CCCCO1	REAL300001084017	1	37	-2.0	-114.95	316.28	3.08	-111.87
O=C([O-])CC1=CSC([N-]C(=O)C2C3CC2(C2=CC=NC=C2)CC3)=N1	REAL300001084020	1	39	-2.0	-113.72	331.64	6.57	-107.15
O=C([O-])CC1=CSC([N-]C(=O)[C@@H]2C[C@H]2C2=CC=C(F)C=C2F)=N1	REAL300001084021	1	33	-2.0	-110.72	315.94	7.07	-103.65
O=C([O-])CC1=CSC([N-]C(=O)C(O)C2CCCCCCC2)=N1	REAL300001084022	1	42	-2.0	-108.05	328.49	4.54	-103.51
O=C([O-])CC1=CSC([N-]C(=O)C2CCC(O)(C3=CC=CC=C3)C2)=N1	REAL300001084025	1	40	-2.0	-112.86	343.08	4.83	-108.03
CCN1C=C([C@@H]2OCC[C@H]2C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=N1	REAL300001084026	1	40	-2.0	-108.19	354.33	4.46	-103.73
COCCN1C=C([C@@H]2OCC[C@H]2C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=N1	REAL300001084027	1	44	-2.0	-107.70	388.05	3.50	-104.20
CN1C=C([C@@H]2OCC[C@H]2C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=N1	REAL300001084028	1	37	-2.0	-108.21	332.80	3.60	-104.61
CC1=C([C@@H]2OCC[C@H]2C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=NN1C	REAL300001084029	1	40	-2.0	-107.81	349.70	3.96	-103.85
CC(C)N1N=CC=C1[C@@H]1OCCC[C@H]1C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001084030	1	46	-2.0	-111.65	383.93	5.41	-106.24
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COC1=CC=C(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C(C)=C1	REAL300001084038	1	36	-2.0	-108.70	322.34	5.40	-103.30
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CS(=O)(=O)C1=CC=C(CCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001084041	1	38	-2.0	-114.83	358.20	3.95	-110.88
COC12CCC(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)(CC1)CC2	REAL300001084046	1	40	-2.0	-107.74	324.34	4.72	-103.02
CC(C)N1N=CC=C1[C@@H]1OCC[C@H]1C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001084047	1	43	-2.0	-108.09	369.85	5.21	-102.88
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CSC1=CC=C(CCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001084053	1	36	-2.0	-107.21	337.71	7.45	-99.76
CC1=NC=C([N+](=O)[O-])N1CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001084054	1	31	-2.0	-109.44	303.58	5.92	-103.52
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COC1=CC(=O)NC=C1C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001084058	1	30	-2.0	-109.23	286.43	1.93	-107.30
CCCCS(=O)(=O)CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001084060	1	34	-2.0	-118.67	322.08	2.08	-116.59
O=C([O-])CC1=CSC([N-]C(=O)COC2CCCCCC2)=N1	REAL300001084061	1	39	-2.0	-108.39	323.85	5.94	-102.45
COC1(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CCCCCC1	REAL300001084062	1	39	-2.0	-110.07	312.95	4.92	-105.15
O=C([O-])CC1=CSC([N-]C(=O)CC2=NN(CC(F)(F)F)C=C2)=N1	REAL300001084064	1	32	-2.0	-118.44	317.54	4.76	-113.68
CC(C)(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C(F)C1=CC=CC=C1	REAL300001084070	1	38	-2.0	-110.51	331.36	7.27	-103.24
O=C([O-])CC1=CSC([N-]C(=O)CCC2=CC=C3OCCCC3=C2)=N1	REAL300001084073	1	40	-2.0	-108.77	351.20	7.06	-101.71
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CCCOC1=CC=C2NC=C(CC(=O)[N-]C3=NC(CC(=O)[O-])=CS3)C2=C1	REAL300001084082	1	43	-2.0	-117.59	380.91	6.69	-110.90
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CC1=CN=C2C(=C1)C=NN2CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001084091	1	34	-2.0	-118.84	321.11	5.06	-113.78
CC(C)(C)OCCOCCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001084098	1	42	-2.0	-108.25	361.40	4.05	-104.20
CCOCCOCCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001084102	1	36	-2.0	-107.94	327.09	2.90	-105.04
CC1(OCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CCOCC1	REAL300001084104	1	37	-2.0	-108.93	315.84	3.55	-105.38
CC1=CC=CN2C(CC(=O)[N-]C3=NC(CC(=O)[O-])=CS3)=CN=C12	REAL300001084105	1	35	-2.0	-112.61	324.01	6.60	-106.01
CS(=O)(=O)C1=CC=C(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001084106	1	35	-2.0	-116.08	336.79	3.14	-112.94
O=C([O-])CC1=CSC([N-]C(=O)C2(C3=CC=CS3)CC3(CCC3)C2)=N1	REAL300001084107	1	40	-2.0	-111.79	353.33	8.81	-102.98
CC1=C(CC(F)(F)C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C2=CC=CC=C2N1	REAL300001084109	0	39	-2.0	-113.21	360.23	7.15	-106.06
CN1C=C(C2(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)CCCO2)C=N1	REAL300001084114	1	37	-2.0	-113.02	331.34	3.53	-109.49
O=C([O-])CC1=CSC([N-]C(=O)CC2=CC=CC3=NSN=C32)=N1	REAL300001084130	1	30	-2.0	-112.91	300.36	3.94	-108.97
O=C([O-])CC1=CSC([N-]C(=O)CN2CCCC3(CC3)S2(=O)=O)=N1	REAL300001084131	1	38	-2.0	-122.46	344.64	2.75	-119.71
NS(=O)(=O)CCCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001084132	1	30	-2.0	-115.62	294.45	-1.60	-117.22
CC1=CC=CC=C1CCC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=CC=C1	REAL300001084137	1	48	-2.0	-110.88	409.69	11.03	-99.85
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CN(C)S(=O)(=O)N1CCC(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC1	REAL300001084141	1	42	-2.0	-108.01	367.78	1.99	-106.02
O=C([O-])CC1=CSC([N-]C(=O)CCC2=CN=CC(Br)=C2)=N1	REAL300001084142	1	31	-2.0	-104.42	313.66	5.25	-99.17
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COCC1(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CCCC1	REAL300001084146	1	39	-2.0	-109.72	325.60	4.92	-104.80
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C[C@H](CC1CCCCC1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001084154	1	41	-2.0	-107.90	335.11	7.14	-100.76
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CC(C)(CC1=CC=C(O)C=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001084170	1	39	-2.0	-108.90	340.11	4.40	-104.50
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CC1(C)C2CCC1(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)CC2	REAL300001084177	1	39	-2.0	-112.86	310.94	6.17	-106.69
CC(F)(F)C1(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CCOCC1	REAL300001084179	1	36	-2.0	-100.77	305.22	4.77	-96.00
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CC1=CC=CC(C(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C2CCCCC2)=C1	REAL300001084182	1	48	-2.0	-111.16	393.05	9.92	-101.24
O=C([O-])CC1=CSC([N-]C(=O)CC2=CC=C(Cl)C3=CC=CN=C23)=N1	REAL300001084185	1	34	-2.0	-113.32	330.57	6.57	-106.75
O=C([O-])CC1=CSC([N-]C(=O)C(O)C2=CC=CC(Cl)=C2)=N1	REAL300001084188	1	30	-2.0	-105.77	300.93	4.07	-101.70
CCC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=CC(Cl)=C1	REAL300001084189	1	35	-2.0	-106.27	329.33	7.36	-98.91
CC1=CC=C2SC(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)CC2=C1	REAL300001084190	1	34	-2.0	-110.86	320.41	7.14	-103.72
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COCC1=NC=C(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C(=O)N1	REAL300001084203	1	32	-2.0	-127.05	306.65	1.50	-125.55
COCC1=NC=C(C(=O)NC2=NC(CC(=O)[O-])=CS2)C(=O)[N-]1	REAL300001084203	1	32	-2.0	-101.28	303.88	1.30	-99.98
CC1=CC=C(C(C)CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001084204	1	38	-2.0	-107.78	332.35	7.55	-100.23
CC1=CC=C(C)C(C(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C(C)C)=C1	REAL300001084207	1	44	-2.0	-109.84	366.06	9.49	-100.35
CN1C=CC([C@@H]2C[C@H]2C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=N1	REAL300001084211	1	33	-2.0	-117.94	308.86	4.74	-113.20
O=C([O-])CC1=CSC([N-]C(=O)COCCC2=CC=C(Cl)S2)=N1	REAL300001084212	1	33	-2.0	-106.03	339.34	6.40	-99.63
O=C([O-])CC1=CSC([N-]C(=O)CN2N=C(C(F)(F)F)C3=C2CCC3)=N1	REAL300001084213	1	36	-2.0	-109.43	344.52	5.81	-103.62
CCC(F)(F)C(C)(C)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001084215	1	34	-2.0	-112.30	299.46	5.19	-107.11
O=C([O-])CC1=CSC([N-]C(=O)COCCC2=CC=CS2)=N1	REAL300001084216	1	33	-2.0	-107.55	322.29	5.78	-101.77
CC1=CC(Br)=CC(C)=C1CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001084217	1	35	-2.0	-105.73	331.48	7.26	-98.47
COC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1CCCOC1	REAL300001084219	1	37	-2.0	-109.52	314.80	4.12	-105.40
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CC1=CC=C([C@@H]2C[C@H]2C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001084224	1	36	-2.0	-110.57	325.41	7.65	-102.92
O=C([O-])CC1=CSC([N-]C(=O)C2CCCNS2(=O)=O)=N1	REAL300001084226	1	31	-2.0	-119.27	292.85	-1.00	-120.27
COC1=CC=C2C(CC(=O)[N-]C3=NC(CC(=O)[O-])=CS3)=CNC2=C1	REAL300001084228	1	37	-2.0	-111.63	337.44	4.97	-106.66
O=C([O-])CC1=CSC([N-]C(=O)CC2=CN(CC3=CC=CC=C3)N=C2)=N1	REAL300001084229	1	39	-2.0	-109.98	360.34	7.28	-102.70
CC1=CC=CC=C1C(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1CCCC1	REAL300001084233	1	45	-2.0	-112.89	370.34	9.81	-103.08
CC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=CC(C(F)(F)F)=C1	REAL300001084237	1	35	-2.0	-105.32	332.08	7.18	-98.14
O=C([O-])CC1=CSC([N-]C(=O)C2CCCC23CCOCC3)=N1	REAL300001084238	1	40	-2.0	-114.32	322.38	4.80	-109.52
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O=C([O-])CC1=CSC([N-]C(=O)C2=CN=C(C3CCC3)NC2=O)=N1	REAL300001084247	1	35	-2.0	-125.50	320.55	4.38	-121.12
CC1CCCN2C(CC(=O)[N-]C3=NC(CC(=O)[O-])=CS3)=CN=C12	REAL300001084249	1	39	-2.0	-111.75	339.32	6.17	-105.58
CC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=C(F)C=C1	REAL300001084251	1	32	-2.0	-104.82	299.42	6.23	-98.59
O=C([O-])CC1=CSC([N-]C(=O)C2CCCC3=NC=NN32)=N1	REAL300001084252	1	32	-2.0	-116.90	291.22	5.27	-111.63
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CC(C)(OCC(F)(F)F)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001084254	1	32	-2.0	-108.20	303.96	4.49	-103.71
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CCOC1=CC=C(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)N=C1	REAL300001084257	1	35	-2.0	-112.75	320.96	4.20	-108.55
COCC1(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CCCO1	REAL300001084259	1	34	-2.0	-116.99	303.32	2.13	-114.86
CC1(C)C2CCC1(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)CC2	REAL300001084261	1	39	-2.0	-112.86	310.94	6.17	-106.69
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CC1=CC=CC=C1C(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1CCCCC1	REAL300001084264	1	48	-2.0	-111.98	388.51	9.77	-102.21
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CN1C=CC(C(C)(C)C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=N1	REAL300001084267	1	35	-2.0	-113.66	316.87	4.42	-109.24
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COC1=NN2C(=NN=C2CCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001084282	1	37	-2.0	-114.24	346.97	3.19	-111.05
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CC1=NC=C(CCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)S1	REAL300001084289	1	31	-2.0	-106.87	304.20	4.37	-102.50
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CC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=C(F)C(Cl)=C1	REAL300001084292	1	32	-2.0	-104.80	315.60	6.72	-98.08
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CCC(=O)N1CSC[C@H]1C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001084300	1	34	-2.0	-120.87	315.23	4.80	-116.07
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CC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C(C)C1=CC=CC=C1Cl	REAL300001084345	1	38	-2.0	-108.91	342.45	7.78	-101.13
CC(C)(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)[C@@H]1CCC[C@H](C(F)(F)F)N1	REAL300001084348	1	43	-2.0	-104.94	361.25	4.83	-100.11
CC1(C)CC(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC(C)(C)O1	REAL300001084349	1	42	-2.0	-107.30	344.15	5.44	-101.86
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CC(C)(C)C1(C)CC(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C1	REAL300001084401	1	41	-2.0	-109.55	329.75	6.40	-103.15
CC1=CC(CCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=NN1C	REAL300001084402	1	35	-2.0	-113.83	319.80	4.58	-109.25
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CC1=CC=C(C(=O)C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001084430	0	31	-2.0	-112.65	294.04	5.44	-107.21
O=C([O-])CC1=CSC([N-]C(=O)C(=O)C2=CC=C(Cl)C=C2)=N1	REAL300001084431	0	28	-2.0	-107.07	289.37	5.28	-101.79
CCC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1CCOCC1	REAL300001084433	1	39	-2.0	-109.95	316.75	4.67	-105.28
CC(C)(C)OC1CC(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C12CCC2	REAL300001084434	1	49	-2.0	-111.71	400.10	7.60	-104.11
CC1(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CCS(=O)(=O)CC1	REAL300001084439	1	35	-2.0	-110.86	307.91	1.59	-109.27
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CC1(C)CC(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C1C(F)(F)F	REAL300001084444	1	35	-2.0	-110.82	302.90	6.55	-104.27
O=C([O-])CC1=CSC([N-]C(=O)C2(CC3=CC=C(F)C=C3)CCCC2)=N1	REAL300001084445	1	42	-2.0	-115.98	356.60	9.95	-106.03
O=C([O-])CC1=CSC([N-]C(=O)C23CCCC2CC(=O)CC3)=N1	REAL300001084446	1	38	-2.0	-106.24	310.22	6.70	-99.54
O=C([O-])CC1=CSC([N-]C(=O)C2(CC3=CC=C(F)C=C3)CCCCO2)=N1	REAL300001084447	1	43	-2.0	-110.72	365.62	7.92	-102.80
C[C@@H](CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=C(C(F)(F)F)C=C1	REAL300001084448	1	38	-2.0	-104.48	349.67	7.87	-96.61
C[C@@H](CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=C2OCOC2=C1	REAL300001084449	1	38	-2.0	-107.16	336.97	5.51	-101.65
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COC1C[C@@H]2CC(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)C[C@H]12	REAL300001084455	1	37	-2.0	-108.08	317.63	4.62	-103.46
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CC1(C)C2CCC1(CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1)CC2	REAL300001084459	1	42	-2.0	-109.65	330.62	6.95	-102.70
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CC1(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CCCNS1(=O)=O	REAL300001084481	1	34	-2.0	-114.15	305.53	0.22	-113.93
CCC1=NC=C2CC(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)CCC2=N1	REAL300001084482	1	40	-2.0	-105.81	349.37	5.85	-99.96
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CC(C)(CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C(C)(F)F	REAL300001084485	1	34	-2.0	-106.78	293.03	5.08	-101.70
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CC1=CC(F)=CC(C(C)C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1	REAL300001084489	1	35	-2.0	-109.62	320.85	6.90	-102.72
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CN1N=CC=C1[C@]12C[C@H](CC1)[C@@H]2C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001084508	1	40	-2.0	-112.90	342.35	5.87	-107.03
CC12CC(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)(C1)C1(CCC1)O2	REAL300001084509	1	38	-2.0	-106.36	323.77	4.97	-101.39
CC12CC(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)(C1)C1(CCOCC1)O2	REAL300001084510	1	42	-2.0	-108.41	345.08	3.65	-104.76
O=C([O-])CC1=CSC([N-]C(=O)[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)=N1	REAL300001084511	1	33	-2.0	-108.04	294.46	5.95	-102.09
COC1=CC=C(C23CC(CC2)C3C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001084514	1	44	-2.0	-113.49	371.34	7.71	-105.78
O=C([O-])CC1=CSC([N-]C(=O)C2(C3CCOCC3)CCOCC2)=N1	REAL300001084515	1	44	-2.0	-107.75	337.72	5.42	-102.33
O=C([O-])CC1=CSC([N-]C(=O)CSC2=CC=CC(F)=C2)=N1	REAL300001084518	1	30	-2.0	-104.82	301.03	6.15	-98.67
O=C([O-])CC1=CSC([N-]C(=O)C2=CC(C3CC3)=NNC2=O)=N1	REAL300001084525	1	32	-2.0	-120.77	303.85	3.28	-117.49
O=C([O-])CC1=CSC([N-]C(=O)C2(C3CCCCO3)CC2)=N1	REAL300001084526	1	37	-2.0	-108.18	315.78	5.45	-102.73
O=C([O-])CC1=CSC([N-]C(=O)C2(CC3=CC=C(F)C=C3)CCCO2)=N1	REAL300001084527	1	40	-2.0	-112.67	353.89	6.98	-105.69
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O=C([O-])CC1=CSC([N-]C(=O)[C@@H]2CCC3=CC=CC=C32)=N1	REAL300001084540	1	33	-2.0	-110.33	298.47	6.68	-103.65
CC1=CC=C2C(=C1)C=CN2CCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001084542	1	39	-2.0	-107.66	351.68	8.29	-99.37
O=C([O-])CC1=CSC([N-]C(=O)CSC2=CC=CC(Cl)=C2)=N1	REAL300001084544	1	30	-2.0	-104.72	311.35	6.59	-98.13
O=C([O-])CC1=CSC([N-]C(=O)CN2N=NC(C3CC3)=N2)=N1	REAL300001084546	1	31	-2.0	-107.25	299.82	3.17	-104.08
O=C([O-])CC1=CSC(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=N1	REAL300001084550	0	27	-2.0	-95.66	292.74	6.55	-89.11
C[C@H](C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=C2OCOC2=C1	REAL300001084554	1	35	-2.0	-106.70	319.06	4.82	-101.88
CS(=O)(=O)N1CCC(OCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC1	REAL300001084555	1	41	-2.0	-112.23	367.40	1.97	-110.26
CC(CC1=CC=C(F)C(F)=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001084557	1	35	-2.0	-106.06	326.62	7.02	-99.04
O=C([O-])CC1=CSC([N-]C(=O)CCC2=CSC(Br)=C2)=N1	REAL300001084560	1	29	-2.0	-104.62	309.15	6.08	-98.54
CC(C)(C)O[C@H]1C[C@@H](C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C1	REAL300001084563	1	39	-2.0	-110.76	333.43	5.04	-105.72
CC1=CC(CC2(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)CC2)=CC=C1F	REAL300001084569	1	39	-2.0	-111.84	349.68	9.26	-102.58
CC1=CC(F)=CC=C1CC1(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC1	REAL300001084570	1	39	-2.0	-112.57	335.45	9.72	-102.85
O=C([O-])CC1=CSC([N-]C(=O)[C@@H]2CCC[C@@H]2C2=CC=C(F)C=C2)=N1	REAL300001084571	1	39	-2.0	-109.98	336.17	7.78	-102.20
CC12CC3(C)CC(O)(C1)CC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)(C2)C3	REAL300001084572	1	47	-2.0	-113.36	369.35	4.50	-108.86
NS(=O)(=O)C1CCC(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC1	REAL300001084578	1	37	-2.0	-113.59	331.57	0.15	-113.44
CSC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=CC(Cl)=C1	REAL300001084582	1	33	-2.0	-108.83	332.63	7.12	-101.71
C[C@@H](CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=CC(OC(F)(F)F)=C1	REAL300001084586	1	39	-2.0	-105.01	356.91	6.64	-98.37
O=C([O-])CC1=CSC([N-]C(=O)[C@H]2C[C@H](N3C=CN=N3)C2)=N1	REAL300001084587	1	32	-2.0	-105.02	293.64	3.25	-101.77
CCCC1=CC=C(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001084588	1	38	-2.0	-108.09	340.48	7.84	-100.25
CC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C(C)C1=CC=C(F)C=C1	REAL300001084590	1	38	-2.0	-106.40	334.12	7.35	-99.05
O=C([O-])CC1=CSC([N-]C(=O)C2COC3=C(Br)C=CC=C3C2)=N1	REAL300001084591	1	34	-2.0	-106.51	327.26	6.15	-100.36
C=CC1(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CCOCC1	REAL300001084592	1	37	-2.0	-106.58	304.20	4.04	-102.54
O=C([O-])CC1=CSC([N-]C(=O)C23CCOC2CCOC3)=N1	REAL300001084602	1	35	-2.0	-117.17	297.17	3.18	-113.99
O=C([O-])CC1=CSC([N-]C(=O)C(C2CC2)C2CCCO2)=N1	REAL300001084603	1	37	-2.0	-109.55	312.20	6.51	-103.04
CC1(C)CC(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC(C)(C)O1	REAL300001084605	1	45	-2.0	-106.85	361.90	6.16	-100.69
O=C([O-])CC1=CSC([N-]C(=O)CCCCCN2C=NN=N2)=N1	REAL300001084607	1	36	-2.0	-116.09	331.52	5.14	-110.95
O=C([O-])CC1=CSC([N-]C(=O)C(CC(F)(F)F)C2=CC=CC=C2)=N1	REAL300001084608	1	35	-2.0	-104.18	328.16	7.09	-97.09
CC(C)(C)N1CCCC(C)(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)S1(=O)=O	REAL300001084627	1	46	-2.0	-109.48	371.09	4.06	-105.42
O=C([O-])CC1=CSC([N-]C(=O)C2CCC2C2=CC=C(Cl)C(Cl)=C2)=N1	REAL300001084629	1	36	-2.0	-108.61	351.67	8.34	-100.27
O=C([O-])CC1=CSC([N-]C(=O)C2CCCC3=C2N=CS3)=N1	REAL300001084630	1	32	-2.0	-117.61	300.07	4.88	-112.73
O=C([O-])CC1=CSC([N-]C(=O)C2C3C=CC(C3)C2C2=CC=CC=C2)=N1	REAL300001084631	1	41	-2.0	-114.94	335.62	8.51	-106.43
CC1=CC(C)=NC(N2CCC(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)CC2)=N1	REAL300001084634	1	45	-2.0	-112.65	384.11	6.93	-105.72
CC1CCC(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC1C	REAL300001084640	1	41	-2.0	-107.83	326.95	6.76	-101.07
O=C([O-])CC1=CSC([N-]C(=O)C(F)(F)CCN2C=CN=N2)=N1	REAL300001084643	0	31	-2.0	-109.76	304.66	3.33	-106.43
CC1=CC(F)=CC=C1C(F)(F)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001084644	0	32	-2.0	-105.46	306.70	6.21	-99.25
O=C([O-])CC1=CSC([N-]C(=O)C(F)(F)CCN2C=CC=N2)=N1	REAL300001084645	0	32	-2.0	-108.69	310.84	4.55	-104.14
CC1=NN=NN1C(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=CC=C1	REAL300001084648	1	37	-2.0	-117.14	341.17	5.42	-111.72
O=C([O-])CC1=CSC([N-]C(=O)C2CCCN2C2=CN=CC=N2)=N1	REAL300001084649	1	36	-2.0	-109.50	316.14	2.35	-107.15
CC1=CC=C(C=CCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001084650	1	36	-2.0	-108.95	328.54	7.61	-101.34
O=C([O-])CC1=CSC([N-]C(=O)CCC2=C(Br)SC=C2)=N1	REAL300001084655	1	29	-2.0	-106.95	306.53	5.99	-100.96
O=C([O-])CC1=CSC([N-]C(=O)C(CC2=CC=CC=C2)C2CCCCC2)=N1	REAL300001084656	1	48	-2.0	-113.77	391.04	9.97	-103.80
COCC(OC1=CC=C(Cl)C=C1C)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001084662	1	40	-2.0	-110.01	372.69	6.47	-103.54
O=C([O-])CC1=CSC([N-]C(=O)[C@@H]2[C@H]3C[C@]2(C2=CC=C(Cl)C=C2)CC3)=N1	REAL300001084663	1	40	-2.0	-110.89	358.89	8.91	-101.98
O=C([O-])CC1=CSC([N-]C(=O)C(=O)C2=CC(Cl)=CC(Cl)=C2)=N1	REAL300001084664	0	28	-2.0	-105.11	306.10	5.80	-99.31
CC(C)(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=C(F)C(F)=C1	REAL300001084669	1	35	-2.0	-103.08	321.41	6.70	-96.38
CC1=CC(Cl)=CC=C1OC(C)(C)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001084670	1	39	-2.0	-106.06	350.35	7.53	-98.53
O=C([O-])CC1=CSC([N-]C(=O)C2=CC3=CC=CC=C3C2)=N1	REAL300001084671	1	31	-2.0	-112.14	292.97	6.71	-105.43
O=C([O-])CC1=CSC([N-]C(=O)[C@@H]2C[C@H]2C2=CC=CC=C2Br)=N1	REAL300001084672	1	33	-2.0	-112.17	322.28	7.47	-104.70
COCC1(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC=CCC1	REAL300001084674	1	37	-2.0	-111.81	319.15	4.58	-107.23
O=C([O-])CC1=CSC([N-]C(=O)C2CCOCC23CCCCC3)=N1	REAL300001084675	1	43	-2.0	-109.02	331.47	5.42	-103.60
O=C([O-])CC1=CSC([N-]C(=O)C2(C(F)(F)F)CC3CCC2CC3)=N1	REAL300001084676	1	39	-2.0	-109.31	321.50	7.03	-102.28
O=C([O-])CC1=CSC([N-]C(=O)C2(C3=CC=CC=C3)CCOC2)=N1	REAL300001084678	1	37	-2.0	-111.91	321.50	5.82	-106.09
CC1=CC=C(C2CCCCC2C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001084679	1	45	-2.0	-110.02	372.86	9.20	-100.82
CCC1(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CCCC2=CC=CC=C21	REAL300001084680	1	42	-2.0	-112.32	343.78	8.36	-103.96
CC1=CC=C(C)C(OCCCC(C)(C)C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1	REAL300001084681	1	51	-2.0	-109.66	423.61	9.15	-100.51
CC(CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=C(OC(F)(F)F)C=C1	REAL300001084682	1	39	-2.0	-104.81	356.92	6.65	-98.16
CCC(C)C1=CC=C(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C(=O)N1	REAL300001084683	1	38	-2.0	-131.48	335.50	5.12	-126.36
CC1=CC(C(C)(C)C)=CC=C1OC(C)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001084684	1	48	-2.0	-109.80	398.91	9.07	-100.73
CC1=CC(Cl)=CC=C1O[C@@H](C)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001084685	1	36	-2.0	-106.17	339.45	7.25	-98.92
O=C([O-])CC1=CSC([N-]C(=O)C2COC3=CC=C(Br)C=C3C2)=N1	REAL300001084686	1	34	-2.0	-103.33	328.26	6.09	-97.24
CC1=CC=C(OC(C)C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C(C)=C1	REAL300001084687	1	39	-2.0	-110.15	344.15	7.41	-102.74
O=C([O-])CC1=CSC([N-]C(=O)CC2CCC3=CC(Br)=CC=C32)=N1	REAL300001084689	1	36	-2.0	-108.28	334.87	8.01	-100.27
CC(C)CC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=CC=C1	REAL300001084690	1	41	-2.0	-110.81	351.30	8.11	-102.70
O=C([O-])CC1=CSC([N-]C(=O)C2CCN3N=CN=C3C2)=N1	REAL300001084691	1	32	-2.0	-105.09	292.27	4.94	-100.15
C=CCCC(CC(C)C)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001084695	1	41	-2.0	-107.57	344.02	8.07	-99.50
CC(C)COC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C(C)C	REAL300001084698	1	41	-2.0	-108.84	346.42	7.10	-101.74
O=C([O-])CC1=CSC([N-]C(=O)C2CC3=CC(Br)=CN=C3C2)=N1	REAL300001084699	1	32	-2.0	-109.10	314.07	5.59	-103.51
O=C([O-])CC1=CSC([N-]C(=O)C(CC2=CC=CC=C2)C2=CC=C(F)C=C2)=N1	REAL300001084701	1	42	-2.0	-106.51	378.60	9.78	-96.73
CCCC(OC1=CC=C(Cl)C=C1C)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001084702	1	42	-2.0	-107.07	376.29	8.57	-98.50
CC(C)CC(CC1=CC=CC=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001084703	1	44	-2.0	-108.11	368.31	9.72	-98.39
O=C([O-])CC1=CSC([N-]C(=O)CC2=CC(Br)=CS2)=N1	REAL300001084706	1	26	-2.0	-103.94	287.78	5.35	-98.59
C[C@@H](C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=C(F)C=C1	REAL300001084712	1	32	-2.0	-104.86	299.41	6.23	-98.63
O=C([O-])CC1=CSC([N-]C(=O)[C@H]2C[C@@H](C3=CC=CC=C3)C2)=N1	REAL300001084713	1	36	-2.0	-110.90	319.78	7.41	-103.49
CCC(CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1)CC(F)(F)F	REAL300001084714	1	34	-2.0	-105.53	301.37	5.46	-100.07
O=C([O-])CC1=CSC([N-]C(=O)C(CC2=CC=C(F)C=C2)C2=CC=CC=C2)=N1	REAL300001084715	1	42	-2.0	-107.24	378.58	9.78	-97.46
O=C([O-])CC1=CSC([N-]C(=O)C23CCN(CCC2)S3(=O)=O)=N1	REAL300001084719	1	35	-2.0	-115.09	310.61	1.14	-113.95
COC1=CC=CC(CCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=N1	REAL300001084725	1	35	-2.0	-110.22	323.88	3.18	-107.04
CC1=CC=CC([C@@H](C)C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1	REAL300001084726	1	35	-2.0	-109.21	314.40	6.83	-102.38
CC1=NN(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C(C)=C1C	REAL300001084734	1	35	-2.0	-111.93	317.63	4.66	-107.27
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CC1(C)CCCC(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)O1	REAL300001084741	1	39	-2.0	-111.73	324.95	5.62	-106.11
O=C([O-])CC1=CSC([N-]C(=O)CN2C=CC3=CC(F)=CC=C32)=N1	REAL300001084742	1	33	-2.0	-104.72	315.76	7.17	-97.55
COC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=CN=C1	REAL300001084745	1	32	-2.0	-108.15	303.33	3.87	-104.28
CCSC1CCC(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC1	REAL300001084746	1	39	-2.0	-110.35	334.70	6.97	-103.38
O=C([O-])CC1=CSC([N-]C(=O)C2CC(OC(F)(F)F)C2)=N1	REAL300001084752	1	30	-2.0	-104.84	294.99	3.48	-101.36
O=C([O-])CC1=CSC([N-]C(=O)CC2=CC=C3COCCC3=C2)=N1	REAL300001084754	1	37	-2.0	-110.10	329.80	5.71	-104.39
O=C([O-])CC1=CSC([N-]C(=O)CC2=CC=C3CCOCC3=C2)=N1	REAL300001084755	1	37	-2.0	-110.04	329.79	5.71	-104.33
O=C([O-])CC1=CSC([N-]C(=O)CC2CCCC(F)(F)C2)=N1	REAL300001084761	1	35	-2.0	-110.29	307.05	6.03	-104.26
CC(C)CC(CCC1=CC=CC=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001084762	1	47	-2.0	-112.01	392.08	9.77	-102.24
O=C([O-])CC1=CSC([N-]C(=O)CC2CC(C(F)F)C2)=N1	REAL300001084763	1	32	-2.0	-105.85	297.82	5.60	-100.25
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CC1(C)CCCOC1CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001084786	1	39	-2.0	-111.43	319.78	5.27	-106.16
COC1=CC2=CC=C(CC(=O)[N-]C3=NC(CC(=O)[O-])=CS3)C=C2C=C1	REAL300001084788	1	39	-2.0	-110.17	351.56	7.17	-103.00
CC12CCC(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)(CC1)OC2	REAL300001084793	1	37	-2.0	-115.00	310.89	4.41	-110.59
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CC(C)(C)N1C=C(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=N1	REAL300001084798	1	38	-2.0	-109.90	338.84	5.43	-104.47
CC(CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=C(F)C(F)=C1	REAL300001084799	1	35	-2.0	-104.92	323.64	6.98	-97.94
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CC1=NNC2=C1CC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)CC2	REAL300001084805	1	36	-2.0	-107.55	317.11	4.30	-103.25
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CC(C)(OC1=C(F)C=CC=C1F)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001084808	1	36	-2.0	-117.30	329.24	6.61	-110.69
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CC1=CC(C(F)(F)F)=CC=C1CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001084811	1	35	-2.0	-104.14	332.30	7.18	-96.96
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CC=CC1=CC=C(OCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C(OC)=C1	REAL300001084829	1	41	-2.0	-114.07	367.03	7.15	-106.92
O=C([O-])CC1=CSC([N-]C(=O)C2CCC(OC3=CC=CC=C3)CC2)=N1	REAL300001084830	1	43	-2.0	-114.66	362.50	7.67	-106.99
O=C([O-])CC1=CSC([N-]C(=O)C2CC3=CC=CN=C3C2)=N1	REAL300001084831	1	32	-2.0	-110.45	293.26	4.91	-105.54
CCCCOC1=CC=C(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300001084840	1	42	-2.0	-107.34	370.45	7.43	-99.91
CCCC(CCC1=CC=CC=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001084843	1	44	-2.0	-111.51	375.08	9.24	-102.27
CCC(C)(C)C1CCC(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC1	REAL300001084844	1	47	-2.0	-110.97	354.73	7.53	-103.44
COC1CC2(C1)CCC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)CC2	REAL300001084845	1	43	-2.0	-108.88	355.54	5.81	-103.07
CCC(CCC1=CC=CC=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001084847	1	41	-2.0	-111.15	353.59	8.47	-102.68
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COC1CC2(C1)CC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C2	REAL300001084883	1	37	-2.0	-108.42	325.11	4.75	-103.67
CC(C)OCC1=CC=CC=C1CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001084885	1	42	-2.0	-109.22	367.48	7.11	-102.11
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CC(C)(C)C1CCC2=C(C=C(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)C(=O)N2)C1	REAL300001084910	1	48	-2.0	-131.60	388.44	6.91	-124.69
COC1=CC=C2C(=C1)CCCC2C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001084913	1	40	-2.0	-111.90	339.67	7.42	-104.48
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CC1=NC=NC2=C1CC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)CC2	REAL300001084917	1	37	-2.0	-105.15	323.98	5.85	-99.30
COC1=CC=CC(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=N1	REAL300001084919	1	32	-2.0	-113.47	301.76	2.60	-110.87
CC(C)(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC(C(F)(F)F)=CC=N1	REAL300001084920	1	37	-2.0	-108.60	344.86	6.14	-102.46
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CC(CC1=CC=C(Cl)C(Cl)=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001084925	1	35	-2.0	-105.36	345.83	7.86	-97.50
CC(CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1)CC(F)(F)F	REAL300001084926	1	31	-2.0	-105.28	288.78	4.99	-100.29
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CC1CC(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CCS1(=O)=O	REAL300001084935	1	35	-2.0	-108.27	317.27	1.97	-106.30
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CC1(C)CC2=CC=CC(CC(=O)[N-]C3=NC(CC(=O)[O-])=CS3)=C2O1	REAL300001084943	1	40	-2.0	-116.55	353.46	6.84	-109.71
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CC1CCC(OCCCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC1	REAL300001084945	1	45	-2.0	-108.18	373.77	6.85	-101.33
COC1=CC([C@@H]2C[C@H]2C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C(OC)C=C1C	REAL300001084949	1	44	-2.0	-114.84	381.93	6.36	-108.48
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CCC1=CC=CC(CC)=C1CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001084963	1	41	-2.0	-109.85	344.53	7.89	-101.96
CC1(C)CCCC(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC1	REAL300001084964	1	41	-2.0	-108.83	318.80	6.54	-102.29
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CC(C)[C@H]1CC[C@@H](C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC1	REAL300001084966	1	41	-2.0	-110.95	327.61	6.77	-104.18
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CC(C)N1C=C(C2CC2C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=N1	REAL300001084973	1	39	-2.0	-111.28	348.67	6.18	-105.10
O=C([O-])CC1=CSC([N-]C(=O)CC2CC3(CCC3)CO2)=N1	REAL300001084974	1	37	-2.0	-112.32	319.58	5.35	-106.97
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CC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=CC2=CC=CC=C21	REAL300001084982	1	38	-2.0	-112.54	334.90	8.27	-104.27
CC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=CC=C1Cl	REAL300001084983	1	32	-2.0	-109.05	306.70	6.58	-102.47
CC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)N1C=CC(C2CC2)=N1	REAL300001084986	1	36	-2.0	-105.14	325.41	5.50	-99.64
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CC1=CC(F)=CC=C1C1(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC1	REAL300001085021	1	36	-2.0	-107.83	326.97	7.29	-100.54
CC1=CC=C(F)C=C1C1(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC1	REAL300001085022	1	36	-2.0	-109.61	328.33	7.31	-102.30
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CC1=CC=C(F)C=C1C(F)(F)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001085031	0	32	-2.0	-107.13	306.64	6.20	-100.93
CCC1=CC=CC=C1C(F)(F)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300001085032	0	35	-2.0	-112.16	317.53	6.70	-105.46
O=C([O-])CC1=CSC([N-]C(=O)CC(C2=CC=CC=C2)N2C=NN=N2)=N1	REAL300001085033	1	37	-2.0	-108.97	339.70	5.90	-103.07
O=C([O-])CC1=CSC([N-]C(=O)CC2=C3NC=CC=C3N=C2)=N1	REAL300001085034	1	32	-2.0	-124.45	302.46	3.80	-120.65
COC1=C2NC=C(CC(=O)[N-]C3=NC(CC(=O)[O-])=CS3)C2=CC=C1	REAL300001085035	1	37	-2.0	-113.09	337.53	4.96	-108.13
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CC1=C(F)C=CC=C1C1(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC1	REAL300001085069	1	36	-2.0	-110.50	325.78	7.25	-103.25
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CC1CCCC(O)(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC1	REAL300001085102	1	39	-2.0	-106.42	314.10	3.72	-102.70
CC(C)(C)C1CCC(C(O)C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC1	REAL300001085103	1	48	-2.0	-106.75	366.09	6.36	-100.39
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CC1C(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C1C1=CC=CC=C1	REAL300001085121	1	36	-2.0	-110.47	321.47	7.50	-102.97
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COC1=CC=CC([C@@H]2C[C@H]2C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1	REAL300001085129	1	37	-2.0	-112.96	333.50	6.27	-106.69
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COC1=CC=C(C(CC(=O)[O-])NC(=O)CCC2=NN=N[N-]2)C=C1OC	REAL300001086575	1	42	-2.0	-97.30	363.74	4.00	-93.30
COC1=CC=C(C(CC(=O)[O-])NC(=O)C2=CN=C(C3CC3)[N-]C2=O)C=C1OC	REAL300001086635	1	47	-2.0	-102.44	391.16	4.58	-97.86
COC1=CC=C(C(CC(=O)[O-])NC(=O)C2=CN=CC([O-])=C2)C=C1OC	REAL300001086648	1	41	-2.0	-103.21	348.09	3.24	-99.97
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COC1=CC=C(C(CC(=O)[O-])NC(=O)C2=C(OC)C(=O)[N-]C(=O)N2)C=C1OC	REAL300001086912	1	45	-2.0	-99.51	388.02	1.55	-97.96
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COC1=CC=C(C(CC(=O)[O-])NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1OC	REAL300001087089	1	45	-2.0	-92.93	395.85	4.57	-88.36
COC1=CC=C(C(CC(=O)[O-])NC(=O)C2=C[N-]N=CC2=O)C=C1OC	REAL300001087229	0	40	-2.0	-94.00	340.35	3.69	-90.31
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C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC(=O)[O-])C2=CC=C(OC)C=C2)O1	REAL300001088706	1	42	-2.0	-98.35	383.71	1.65	-96.70
COC1=CC=C(C(CC(=O)[O-])NC(=O)C2=CC=C([O-])C(F)=C2)C=C1	REAL300001090094	1	38	-2.0	-97.27	330.06	5.21	-92.06
COC1=CC=C(C(CC(=O)[O-])NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C=C1	REAL300001090106	1	41	-2.0	-114.64	360.32	7.73	-106.91
COC1=CC=C(C(CC(=O)[O-])NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300001090147	0	38	-2.0	-95.35	327.49	3.25	-92.10
COC1=CC=C(C(CC(=O)[O-])NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300001090147	1	38	-2.0	-95.34	327.55	3.27	-92.07
COC1=CC=C(C(CC(=O)[O-])NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C=C1	REAL300001090209	0	44	-2.0	-99.47	385.39	3.34	-96.13
COC1=CC=C(C(CC(=O)[O-])NC(=O)C2=CN=C(C3CC3)[N-]C2=O)C=C1	REAL300001090231	1	43	-2.0	-101.32	363.07	4.75	-96.57
COC1=CC=C(C(CC(=O)[O-])NC(=O)C2=CN=CC([O-])=C2)C=C1	REAL300001090263	1	37	-2.0	-101.82	318.90	3.31	-98.51
COC1=CC=C(C(CC(=O)[O-])NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C=C1	REAL300001090345	0	45	-2.0	-125.26	397.97	7.31	-117.95
COC1=CC=C(C(CC(=O)[O-])NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C=C1	REAL300001090376	1	43	-2.0	-128.24	371.22	8.04	-120.20
COC1=CC=C(C(CC(=O)[O-])NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C=C1	REAL300001090613	0	38	-2.0	-93.83	346.17	5.79	-88.04
COC1=CC=C(C(CC(=O)[O-])NC(=O)C2=C(OC)C(=O)[N-]C(=O)N2)C=C1	REAL300001090626	1	41	-2.0	-98.81	358.93	1.63	-97.18
COC1=CC=C(C(CC(=O)[O-])NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300001090701	0	41	-2.0	-106.09	348.99	4.03	-102.06
COC1=CC=C(C(CC(=O)[O-])NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300001090701	1	41	-2.0	-106.05	349.04	4.05	-102.00
COC1=CC=C(C(CC(=O)[O-])NC(=O)C2=CC=C([O-])C(Cl)=C2)C=C1	REAL300001090731	0	38	-2.0	-94.82	339.85	5.70	-89.12
CCOC1=CC(C(=O)NC(CC(=O)[O-])C2=CC=C(OC)C=C2)=CC(Cl)=C1[O-]	REAL300001090735	1	45	-2.0	-99.07	390.90	6.74	-92.33
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CC(=O)[O-])C2=CC=C(OC)C=C2)=CO1	REAL300001090756	1	42	-2.0	-100.19	382.77	1.76	-98.43
COC1=CC=C(C(CC(=O)[O-])NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300001090890	0	41	-2.0	-91.00	366.62	4.52	-86.48
COC1=CC=C(C(CC(=O)[O-])NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300001090890	1	41	-2.0	-91.02	366.68	4.53	-86.49
COC1=CC=C(C(CC(=O)[O-])NC(=O)C2=C[N-]N=CC2=O)C=C1	REAL300001091109	0	36	-2.0	-101.83	318.04	4.57	-97.26
COCC1=NC=C(C(=O)NC(CC(=O)[O-])C2=CC=C(OC)C=C2)C(=O)[N-]1	REAL300001091132	1	43	-2.0	-100.75	364.91	2.40	-98.35
COC1=CC=C(C(CC(=O)[O-])NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C=C1	REAL300001091174	1	46	-2.0	-101.42	378.82	5.29	-96.13
COC1=CC=C(C(CC(=O)[O-])NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C=C1	REAL300001091401	0	38	-2.0	-110.03	354.55	7.80	-102.23
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC(=O)[O-])C2=CC=C(C)C=C2)O1	REAL300001092981	1	41	-2.0	-92.60	368.66	2.35	-90.25
CC1=CC=C(C(CC(=O)[O-])NC(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)C=C1	REAL300001093433	1	48	-2.0	-111.58	417.34	7.43	-104.15
CC1=CC=C(C(CC(=O)[O-])NC(=O)C2=CC=C([O-])C(F)=C2)C=C1	REAL300001094515	1	37	-2.0	-97.62	322.10	6.62	-91.00
CC1=CC=C(C(CC(=O)[O-])NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C=C1	REAL300001094526	1	40	-2.0	-115.26	359.09	9.93	-105.33
CC1=CC=C(C(CC(=O)[O-])NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300001094560	0	37	-2.0	-95.66	319.41	4.63	-91.03
CC1=CC=C(C(CC(=O)[O-])NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300001094560	1	37	-2.0	-95.64	319.47	4.65	-90.99
CC1=CC=C(C(CC(=O)[O-])NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C=C1	REAL300001094631	0	43	-2.0	-100.44	377.22	4.68	-95.76
CC1=CC=C(C(CC(=O)[O-])NC(=O)C2=CN=C(C3CC3)[N-]C2=O)C=C1	REAL300001094656	1	42	-2.0	-117.28	354.74	7.38	-109.90
CC1=CC=C(C(CC(=O)[O-])NC(=O)C2=CN=CC([O-])=C2)C=C1	REAL300001094693	1	36	-2.0	-102.26	310.82	4.69	-97.57
CC1=CC=C(C(CC(=O)[O-])NC(=O)C2=NN(C3=CC=C(F)C=C3C)C=C2[O-])C=C1	REAL300001094774	0	47	-2.0	-125.64	410.80	9.54	-116.10
CC1=CC=C(C(CC(=O)[O-])NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C=C1	REAL300001094779	0	44	-2.0	-126.66	389.88	8.69	-117.97
CC1=CC=C(C(CC(=O)[O-])NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C=C1	REAL300001094810	1	42	-2.0	-130.80	363.04	9.57	-121.23
CC1=CC=C(C(CC(=O)[O-])NC(=O)C2=NN(C3=CC(C)=CC=C3F)C=C2[O-])C=C1	REAL300001094948	0	47	-2.0	-134.56	408.22	9.27	-125.29
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CC(=O)[O-])C2=CC=C(C)C=C2)=N1	REAL300001094949	0	50	-2.0	-130.95	417.62	10.31	-120.64
CC1=CC=C(C(CC(=O)[O-])NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C=C1	REAL300001095060	0	37	-2.0	-95.55	338.04	7.16	-88.39
COC1=C(C(=O)NC(CC(=O)[O-])C2=CC=C(C)C=C2)NC(=O)[N-]C1=O	REAL300001095071	1	40	-2.0	-99.51	350.84	2.99	-96.52
CC1=CC=C(C(CC(=O)[O-])NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300001095151	0	40	-2.0	-106.09	341.03	5.46	-100.63
CC1=CC=C(C(CC(=O)[O-])NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300001095151	1	40	-2.0	-106.10	341.09	5.48	-100.62
CC1=CC=C(C(CC(=O)[O-])NC(=O)C2=CC=C([O-])C(Cl)=C2)C=C1	REAL300001095183	0	37	-2.0	-95.25	331.90	7.11	-88.14
CCOC1=CC(C(=O)NC(CC(=O)[O-])C2=CC=C(C)C=C2)=CC(Cl)=C1[O-]	REAL300001095187	1	44	-2.0	-99.62	382.89	8.13	-91.49
COC1=CC=C(N2C=C([O-])C(C(=O)NC(CC(=O)[O-])C3=CC=C(C)C=C3)=N2)C=C1	REAL300001095193	0	48	-2.0	-129.78	412.95	7.92	-121.86
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CC(=O)[O-])C2=CC=C(C)C=C2)=CO1	REAL300001095209	1	41	-2.0	-102.77	367.80	2.34	-100.43
CC1=CC=C(C(CC(=O)[O-])NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300001095349	0	40	-2.0	-92.49	358.44	6.04	-86.45
CC1=CC=C(C(CC(=O)[O-])NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300001095349	1	40	-2.0	-92.50	358.51	6.05	-86.45
CC1=CC=C(C(CC(=O)[O-])NC(=O)C2=C[N-]N=CC2=O)C=C1	REAL300001095587	0	35	-2.0	-102.61	310.06	5.80	-96.81
COCC1=NC=C(C(=O)NC(CC(=O)[O-])C2=CC=C(C)C=C2)C(=O)[N-]1	REAL300001095611	1	42	-2.0	-115.92	356.82	4.95	-110.97
CC1=CC=C(C(CC(=O)[O-])NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C=C1	REAL300001095654	1	45	-2.0	-103.58	370.75	6.67	-96.91
CC1=CC=C(C(CC(=O)[O-])NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C=C1	REAL300001095901	0	37	-2.0	-111.70	353.17	9.97	-101.73
CC1=C(CCC(=O)N2CCCC(C(=O)[O-])C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300001096626	1	51	-2.0	-103.95	401.26	7.27	-96.68
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300001096963	0	41	-2.0	-107.49	343.82	4.49	-103.00
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(C(=O)[O-])C1	REAL300001097263	0	41	-2.0	-104.15	343.43	4.72	-99.43
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300001097309	1	43	-2.0	-112.90	363.59	10.09	-102.81
O=C([O-])C1CCCN(C(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3)C=C2)C1	REAL300001097486	1	45	-2.0	-98.40	380.74	6.88	-91.52
O=C([O-])C1CCCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)C1	REAL300001097487	1	45	-2.0	-104.44	379.40	6.83	-97.61
CC1=CC(C(=O)N2CCCC(C(=O)[O-])C2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300001097499	0	41	-2.0	-83.90	360.64	5.01	-78.89
O=C([O-])C1CCCN(C(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CS3)C=C2)C1	REAL300001097727	0	42	-2.0	-100.77	372.65	5.88	-94.89
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC(C(=O)[O-])C2)O1	REAL300001097744	1	44	-2.0	-111.74	363.22	3.48	-108.26
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC(C(=O)[O-])C2)O1	REAL300001097745	1	35	-2.0	-110.26	309.61	0.95	-109.31
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300001097981	0	45	-2.0	-106.96	373.92	2.73	-104.23
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(C(=O)[O-])C1	REAL300001098026	0	38	-2.0	-103.03	322.46	3.84	-99.19
O=C([O-])C1CCCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CS3)=C2)C1	REAL300001098034	0	42	-2.0	-96.27	372.88	5.89	-90.38
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCCC(C(=O)[O-])C2)=CS1	REAL300001098378	1	42	-2.0	-108.45	354.44	5.45	-103.00
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCCC(C(=O)[O-])C1	REAL300001098579	0	38	-2.0	-98.48	328.21	3.89	-94.59
CC1=C(CC(=O)N2CCCC(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001098586	1	44	-2.0	-114.52	363.90	5.61	-108.91
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(C(=O)[O-])C1	REAL300001098591	0	44	-2.0	-104.69	364.92	5.51	-99.18
CC1=C(C(=O)N2CCCC(C(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300001098647	1	44	-2.0	-108.18	353.00	5.18	-103.00
O=C([O-])C1CCCN(C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3)C=C2)C1	REAL300001098743	1	45	-2.0	-94.68	380.87	6.88	-87.80
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)N1CCCC(C(=O)[O-])C1	REAL300001099279	0	44	-2.0	-111.55	367.97	6.08	-105.47
O=C([O-])C1CCCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300001099441	1	34	-2.0	-101.12	298.54	6.17	-94.95
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCCC(C(=O)[O-])C2)C=N1	REAL300001099527	0	37	-2.0	-95.07	321.61	2.96	-92.11
O=C([O-])C1CCCN(C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=NC=C3)C=C2)C1	REAL300001099587	1	44	-2.0	-91.51	375.89	5.10	-86.41
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCCC(C(=O)[O-])C3)=N2)C=C1	REAL300001099602	0	47	-2.0	-118.43	377.24	8.60	-109.83
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCCC(C(=O)[O-])C2)=N1	REAL300001099670	0	41	-2.0	-114.01	349.70	7.17	-106.84
O=C([O-])C1CCCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300001099693	1	36	-2.0	-121.11	297.21	7.84	-113.27
O=C([O-])C1CCCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)C1	REAL300001099711	0	38	-2.0	-89.82	340.94	4.26	-85.56
O=C([O-])C1CCCN(C(=O)C2=CN=C(I)C([O-])=C2)C1	REAL300001099747	0	30	-2.0	-91.82	280.46	3.93	-87.89
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCCC(C(=O)[O-])C3)=N2)=C1	REAL300001099794	0	41	-2.0	-123.01	341.80	7.33	-115.68
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCCC(C(=O)[O-])C2)=N1	REAL300001099795	0	44	-2.0	-118.22	362.88	7.91	-110.31
CC1=C(CC(=O)N2CCCC(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001099835	1	44	-2.0	-113.04	364.04	5.61	-107.43
O=C([O-])C1CCCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300001099866	0	31	-2.0	-96.43	282.56	5.51	-90.92
CCOC1=CC(C(=O)N2CCCC(C(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300001099946	1	38	-2.0	-94.40	326.83	6.45	-87.95
O=C([O-])C1CCCN(C(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])C1	REAL300001099950	0	41	-2.0	-120.84	352.34	7.55	-113.29
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCCC(C(=O)[O-])C3)=N2)C=C1	REAL300001099956	0	42	-2.0	-118.48	346.53	5.98	-112.50
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCCC(C(=O)[O-])C2)=CO1	REAL300001099973	1	35	-2.0	-96.98	308.89	0.77	-96.21
O=C([O-])C1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300001100090	0	34	-2.0	-85.00	292.64	4.32	-80.68
O=C([O-])C1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300001100090	1	34	-2.0	-84.93	292.71	4.32	-80.61
O=C([O-])C1CCCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300001100342	1	39	-2.0	-106.15	321.14	4.95	-101.20
O=C([O-])C1CCCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300001100535	0	31	-2.0	-98.00	291.75	6.33	-91.67
CC1=C(C(=O)N2CCCC(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300001100755	0	39	-2.0	-111.17	332.68	4.40	-106.77
CC1=C(CCC(=O)NC2(C(=O)[O-])CCCCC2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300001101175	1	54	-2.0	-111.79	412.81	7.80	-103.99
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2(C(=O)[O-])CCCCC2)C=C1	REAL300001101725	1	46	-2.0	-137.11	376.51	10.77	-126.34
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(C(=O)[O-])CCCCC2)O1	REAL300001102086	1	47	-2.0	-100.00	379.61	4.22	-95.78
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(C(=O)[O-])CCCCC2)O1	REAL300001102087	1	38	-2.0	-98.73	325.99	1.69	-97.04
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2(C(=O)[O-])CCCCC2)=CS1	REAL300001102586	1	45	-2.0	-124.90	367.72	6.03	-118.87
CC1=C(CC(=O)NC2(C(=O)[O-])CCCCC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001102778	1	47	-2.0	-123.23	377.68	6.20	-117.03
O=C([O-])C1(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CCCCC1	REAL300001103552	1	37	-2.0	-128.10	309.68	7.98	-120.12
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2(C(=O)[O-])CCCCC2)C=N1	REAL300001103628	0	40	-2.0	-108.19	334.60	4.01	-104.18
O=C([O-])C1(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)CCCCC1	REAL300001103646	1	39	-2.0	-115.26	312.56	5.36	-109.90
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CCCCC3)=N2)=C1	REAL300001103694	0	50	-2.0	-142.03	394.20	9.07	-132.96
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CCCCC3)=N2)C=C1	REAL300001103695	0	50	-2.0	-140.69	394.13	9.07	-131.62
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2(C(=O)[O-])CCCCC2)=N1	REAL300001103747	0	44	-2.0	-137.04	361.66	8.17	-128.87
O=C([O-])C1(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CCCCC1	REAL300001103752	0	41	-2.0	-138.40	340.34	7.22	-131.18
O=C([O-])C1(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)CCCCC1	REAL300001103770	1	39	-2.0	-142.56	313.50	7.60	-134.96
O=C([O-])C1(NC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)CCCCC1	REAL300001103788	0	41	-2.0	-103.79	355.83	5.27	-98.52
O=C([O-])C1(NC(=O)C2=CN=C(I)C([O-])=C2)CCCCC1	REAL300001103828	0	33	-2.0	-107.16	295.06	5.01	-102.15
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CCCCC3)=N2)=C1	REAL300001103876	0	44	-2.0	-145.80	358.68	7.80	-138.00
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2(C(=O)[O-])CCCCC2)=N1	REAL300001103877	0	47	-2.0	-143.53	368.05	8.96	-134.57
CC1=C(CC(=O)NC2(C(=O)[O-])CCCCC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001103919	1	47	-2.0	-121.01	377.87	6.19	-114.82
O=C([O-])C1(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)CCCCC1	REAL300001103954	0	34	-2.0	-103.15	295.36	6.47	-96.68
COC1=C(C(=O)NC2(C(=O)[O-])CCCCC2)NC(=O)[N-]C1=O	REAL300001103960	1	37	-2.0	-104.11	301.52	1.08	-103.03
CCOC1=CC(C(=O)NC2(C(=O)[O-])CCCCC2)=CC(Cl)=C1[O-]	REAL300001104038	1	41	-2.0	-107.70	340.21	7.44	-100.26
O=C([O-])C1(NC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])CCCCC1	REAL300001104041	0	44	-2.0	-145.18	363.83	8.59	-136.59
COC1=CC=C(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CCCCC3)=N2)C=C1	REAL300001104046	0	45	-2.0	-140.17	363.42	6.44	-133.73
C[N-]S(=O)(=O)C1=CC(C(=O)NC2(C(=O)[O-])CCCCC2)=CO1	REAL300001104057	1	38	-2.0	-110.25	325.12	1.66	-108.59
O=C([O-])C1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCCCC1	REAL300001104163	0	37	-2.0	-94.47	308.90	4.55	-89.92
O=C([O-])C1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCCCC1	REAL300001104163	1	37	-2.0	-94.49	308.97	4.55	-89.94
COCC1=NC=C(C(=O)NC2(C(=O)[O-])CCCCC2)C(=O)[N-]1	REAL300001104374	1	39	-2.0	-114.26	314.42	3.01	-111.25
O=C([O-])C1(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)CCCCC1	REAL300001104408	1	42	-2.0	-113.98	328.22	5.90	-108.08
O=C([O-])C1(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCCCC1	REAL300001104603	0	34	-2.0	-123.11	303.76	8.01	-115.10
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC(=O)[O-])C2=CC=C(F)C=C2)O1	REAL300001106044	1	38	-2.0	-95.28	360.62	2.42	-92.86
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(CC(=O)[O-])C2=CC=C(F)C=C2)=CS1	REAL300001106479	1	45	-2.0	-107.15	402.37	6.82	-100.33
O=C([O-])CC(NC(=O)C1=CC=C([O-])C(F)=C1)C1=CC=C(F)C=C1	REAL300001107547	1	34	-2.0	-93.01	306.98	5.98	-87.03
O=C([O-])CC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1=CC=C(F)C=C1	REAL300001107558	1	37	-2.0	-109.49	344.40	9.21	-100.28
O=C([O-])CC(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL300001107592	0	34	-2.0	-91.13	304.40	4.02	-87.11
O=C([O-])CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL300001107592	1	34	-2.0	-91.12	304.46	4.04	-87.08
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(CC(=O)[O-])C2=CC=C(F)C=C2)C=N1	REAL300001107661	0	40	-2.0	-95.38	362.21	4.07	-91.31
O=C([O-])CC(NC(=O)C1=CN=CC([O-])=C1)C1=CC=C(F)C=C1	REAL300001107721	1	33	-2.0	-97.47	295.81	4.08	-93.39
O=C([O-])CC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1=CC=C(F)C=C1	REAL300001107804	0	41	-2.0	-119.83	374.97	7.94	-111.89
O=C([O-])CC(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=CC=C(F)C=C1	REAL300001107835	1	39	-2.0	-123.40	348.13	8.80	-114.60
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CC(=O)[O-])C2=CC=C(F)C=C2)=N1	REAL300001107972	0	47	-2.0	-127.42	409.57	9.81	-117.61
O=C([O-])CC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=CC=C(F)C=C1	REAL300001108082	0	34	-2.0	-90.30	323.09	6.56	-83.74
COC1=C(C(=O)NC(CC(=O)[O-])C2=CC=C(F)C=C2)NC(=O)[N-]C1=O	REAL300001108094	1	37	-2.0	-96.32	335.97	2.38	-93.94
O=C([O-])CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL300001108172	0	37	-2.0	-101.82	325.91	4.80	-97.02
O=C([O-])CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL300001108172	1	37	-2.0	-101.83	325.97	4.82	-97.01
O=C([O-])CC(NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=CC=C(F)C=C1	REAL300001108204	0	34	-2.0	-90.60	316.77	6.47	-84.13
CCOC1=CC(C(=O)NC(CC(=O)[O-])C2=CC=C(F)C=C2)=CC(Cl)=C1[O-]	REAL300001108207	1	41	-2.0	-94.81	367.82	7.51	-87.30
COC1=CC=C(N2C=C([O-])C(C(=O)NC(CC(=O)[O-])C3=CC=C(F)C=C3)=N2)C=C1	REAL300001108213	0	45	-2.0	-122.67	398.04	7.17	-115.50
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CC(=O)[O-])C2=CC=C(F)C=C2)=CO1	REAL300001108229	1	38	-2.0	-97.17	359.68	2.54	-94.63
O=C([O-])CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=C(F)C=C1	REAL300001108370	0	37	-2.0	-88.05	343.52	5.30	-82.75
O=C([O-])CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=C(F)C=C1	REAL300001108370	1	37	-2.0	-88.00	343.59	5.30	-82.70
O=C([O-])CC(NC(=O)C1=C[N-]N=CC1=O)C1=CC=C(F)C=C1	REAL300001108602	0	32	-2.0	-97.81	295.15	5.24	-92.57
COCC1=NC=C(C(=O)NC(CC(=O)[O-])C2=CC=C(F)C=C2)C(=O)[N-]1	REAL300001108625	1	39	-2.0	-110.06	339.60	4.17	-105.89
O=C([O-])CC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=CC=C(F)C=C1	REAL300001108909	0	34	-2.0	-104.91	331.43	8.55	-96.36
CC1=C(CCC(=O)N2CCCC(C(=O)[O-])C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300001109636	1	51	-2.0	-103.95	401.26	7.27	-96.68
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300001109984	0	41	-2.0	-107.49	343.82	4.49	-103.00
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(C(=O)[O-])C1	REAL300001110294	0	41	-2.0	-104.15	343.43	4.72	-99.43
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300001110340	1	43	-2.0	-112.90	363.59	10.09	-102.81
O=C([O-])C1CCCN(C(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3)C=C2)C1	REAL300001110522	1	45	-2.0	-98.40	380.74	6.88	-91.52
O=C([O-])C1CCCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)C1	REAL300001110523	1	45	-2.0	-104.44	379.40	6.83	-97.61
CC1=CC(C(=O)N2CCCC(C(=O)[O-])C2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300001110536	0	41	-2.0	-83.90	360.64	5.01	-78.89
O=C([O-])C1CCCN(C(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CS3)C=C2)C1	REAL300001110768	0	42	-2.0	-100.77	372.65	5.88	-94.89
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC(C(=O)[O-])C2)O1	REAL300001110786	1	44	-2.0	-111.74	363.22	3.48	-108.26
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC(C(=O)[O-])C2)O1	REAL300001110787	1	35	-2.0	-110.26	309.61	0.95	-109.31
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300001111027	0	45	-2.0	-106.96	373.92	2.73	-104.23
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(C(=O)[O-])C1	REAL300001111073	0	38	-2.0	-103.03	322.46	3.84	-99.19
O=C([O-])C1CCCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CS3)=C2)C1	REAL300001111081	0	42	-2.0	-96.27	372.88	5.89	-90.38
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCCC(C(=O)[O-])C2)=CS1	REAL300001111433	1	42	-2.0	-108.45	354.44	5.45	-103.00
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCCC(C(=O)[O-])C1	REAL300001111641	0	38	-2.0	-98.48	328.21	3.89	-94.59
CC1=C(CC(=O)N2CCCC(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001111648	1	44	-2.0	-114.52	363.90	5.61	-108.91
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(C(=O)[O-])C1	REAL300001111653	0	44	-2.0	-104.69	364.92	5.51	-99.18
CC1=C(C(=O)N2CCCC(C(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300001111715	1	44	-2.0	-108.18	353.00	5.18	-103.00
O=C([O-])C1CCCN(C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3)C=C2)C1	REAL300001111814	1	45	-2.0	-94.68	380.87	6.88	-87.80
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)N1CCCC(C(=O)[O-])C1	REAL300001112363	0	44	-2.0	-111.55	367.97	6.08	-105.47
O=C([O-])C1CCCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300001112532	1	34	-2.0	-101.12	298.54	6.17	-94.95
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCCC(C(=O)[O-])C2)C=N1	REAL300001112619	0	37	-2.0	-95.07	321.61	2.96	-92.11
O=C([O-])C1CCCN(C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=NC=C3)C=C2)C1	REAL300001112680	1	44	-2.0	-91.51	375.89	5.10	-86.41
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCCC(C(=O)[O-])C3)=N2)=C1	REAL300001112695	0	47	-2.0	-119.47	377.49	8.62	-110.85
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCCC(C(=O)[O-])C3)=N2)C=C1	REAL300001112696	0	47	-2.0	-118.43	377.24	8.60	-109.83
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCCC(C(=O)[O-])C2)=N1	REAL300001112765	0	41	-2.0	-114.01	349.70	7.17	-106.84
O=C([O-])C1CCCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1	REAL300001112769	0	38	-2.0	-117.31	323.64	6.78	-110.53
O=C([O-])C1CCCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300001112790	1	36	-2.0	-121.11	297.21	7.84	-113.27
O=C([O-])C1CCCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)C1	REAL300001112808	0	38	-2.0	-89.82	340.94	4.26	-85.56
O=C([O-])C1CCCN(C(=O)C2=CN=C(I)C([O-])=C2)C1	REAL300001112846	0	30	-2.0	-91.82	280.46	3.93	-87.89
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCCC(C(=O)[O-])C3)=N2)=C1	REAL300001112895	0	41	-2.0	-123.01	341.80	7.33	-115.68
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCCC(C(=O)[O-])C2)=N1	REAL300001112896	0	44	-2.0	-118.22	362.88	7.91	-110.31
CC1=C(CC(=O)N2CCCC(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001112937	1	44	-2.0	-113.04	364.04	5.61	-107.43
O=C([O-])C1CCCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300001112969	0	31	-2.0	-96.43	282.56	5.51	-90.92
CCOC1=CC(C(=O)N2CCCC(C(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300001113053	1	38	-2.0	-94.40	326.83	6.45	-87.95
O=C([O-])C1CCCN(C(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])C1	REAL300001113057	0	41	-2.0	-120.84	352.34	7.55	-113.29
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCCC(C(=O)[O-])C3)=N2)C=C1	REAL300001113064	0	42	-2.0	-118.48	346.53	5.98	-112.50
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCCC(C(=O)[O-])C2)=CO1	REAL300001113081	1	35	-2.0	-96.98	308.89	0.77	-96.21
O=C([O-])C1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300001113201	0	34	-2.0	-85.00	292.64	4.32	-80.68
O=C([O-])C1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300001113201	1	34	-2.0	-84.93	292.71	4.32	-80.61
O=C([O-])C1CCCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300001113461	1	39	-2.0	-106.15	321.14	4.95	-101.20
O=C([O-])C1CCCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300001113664	0	31	-2.0	-98.00	291.75	6.33	-91.67
CC1=C(C(=O)N2CCCC(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300001113887	0	39	-2.0	-111.17	332.68	4.40	-106.77
CC1=C(CCC(=O)NCC(=O)[O-])C(=O)NC(N2CCOCC2)=N1	REAL300001114110	0	41	-2.0	-96.66	340.65	3.58	-93.08
CC1=C(CCC(=O)NCC(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300001114110	1	41	-2.0	-96.66	340.65	3.58	-93.08
O=C([O-])CNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)NC2=C1	REAL300001114139	0	39	-2.0	-100.79	355.41	0.68	-100.11
CC1=CC=CC=C1NS(=O)(=O)C1=CC=C(C)C(C(=O)NCC(=O)[O-])=C1	REAL300001114142	0	41	-2.0	-102.23	358.13	5.04	-97.19
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)NCC(=O)[O-])=C1	REAL300001114142	1	41	-2.0	-102.23	358.13	5.04	-97.19
CC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C1C	REAL300001114164	0	41	-2.0	-97.85	360.39	4.80	-93.05
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C1C	REAL300001114164	1	41	-2.0	-97.85	360.39	4.80	-93.05
CCOC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C1	REAL300001114360	0	42	-2.0	-94.17	373.32	3.82	-90.35
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C1	REAL300001114360	1	42	-2.0	-94.17	373.32	3.82	-90.35
O=C([O-])CNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300001114444	0	41	-2.0	-106.50	364.16	3.02	-103.48
O=C([O-])CNC(=O)C1=CC=CC(S(=O)(=O)NC2=CC=C(F)C=C2)=C1	REAL300001114446	0	35	-2.0	-89.94	328.59	3.64	-86.30
O=C([O-])CNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1	REAL300001114446	1	35	-2.0	-89.94	328.59	3.64	-86.30
O=C([O-])CNC(=O)C1=CC=C(NS(=O)(=O)C2=CC=C3OCCOC3=C2)C=C1	REAL300001114450	0	41	-2.0	-96.65	366.46	2.75	-93.90
O=C([O-])CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C3OCCOC3=C2)C=C1	REAL300001114450	1	41	-2.0	-96.65	366.46	2.75	-93.90
CC1=CC=C(S(=O)(=O)NC2=CC=CC(C(=O)NCC(=O)[O-])=C2)C=C1F	REAL300001114470	0	38	-2.0	-93.50	348.87	4.30	-89.20
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NCC(=O)[O-])=C2)C=C1F	REAL300001114470	1	38	-2.0	-93.50	348.87	4.30	-89.20
CC1=CC=C(C2=NNC(=S)N2CC(=O)NCC(=O)[O-])C=C1	REAL300001114503	0	33	-2.0	-101.71	304.87	6.53	-95.18
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC(=O)[O-])C=C1	REAL300001114503	1	33	-2.0	-101.71	304.87	6.53	-95.18
CCOC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C1	REAL300001114528	0	42	-2.0	-87.66	373.51	3.80	-83.86
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C1	REAL300001114528	1	42	-2.0	-87.66	373.51	3.80	-83.86
O=C([O-])CNC(=O)C1=CC=C(NS(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300001114530	0	35	-2.0	-89.89	328.37	3.66	-86.23
O=C([O-])CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300001114530	1	35	-2.0	-89.89	328.37	3.66	-86.23
CC1=CC=CC=C1NS(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300001114531	0	38	-2.0	-88.49	342.04	4.36	-84.13
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300001114531	1	38	-2.0	-88.49	342.04	4.36	-84.13
CC1=CC=CC(NS(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1C	REAL300001114535	0	41	-2.0	-89.81	359.05	4.90	-84.91
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1C	REAL300001114535	1	41	-2.0	-89.81	359.05	4.90	-84.91
O=C([O-])CNC(=O)C1=CC=C(NS(=O)(=O)C2=CC=CC=C2)C=C1	REAL300001114614	0	35	-2.0	-96.59	321.97	3.59	-93.00
O=C([O-])CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300001114614	1	35	-2.0	-96.59	321.97	3.59	-93.00
O=C([O-])CNC(=O)CC1=CC=C(NS(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300001114615	0	38	-2.0	-94.85	353.21	4.34	-90.51
O=C([O-])CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300001114615	1	38	-2.0	-94.85	353.21	4.34	-90.51
O=C([O-])CNC(=O)C1=CC=CC(NS(=O)(=O)C2=CC=CC=C2)=C1	REAL300001114616	0	35	-2.0	-96.35	322.15	3.60	-92.75
O=C([O-])CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300001114616	1	35	-2.0	-96.35	322.15	3.60	-92.75
CC1=CC(C(=O)NCC(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300001114630	0	31	-2.0	-80.80	303.40	1.77	-79.03
CC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C1[N+](=O)[O-]	REAL300001114662	0	40	-2.0	-94.24	368.86	4.90	-89.34
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C1[N+](=O)[O-]	REAL300001114662	1	40	-2.0	-94.24	368.86	4.90	-89.34
O=C([O-])CNC(=O)C1=CC=CC(NS(=O)(=O)C2=CC=C3OCCOC3=C2)=C1	REAL300001114668	0	41	-2.0	-96.61	366.64	2.76	-93.85
O=C([O-])CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C3OCCOC3=C2)=C1	REAL300001114668	1	41	-2.0	-96.61	366.64	2.76	-93.85
CC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C1	REAL300001114692	0	38	-2.0	-89.23	343.54	4.27	-84.96
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C1	REAL300001114692	1	38	-2.0	-89.23	343.54	4.27	-84.96
O=C([O-])CNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300001114755	0	37	-2.0	-102.52	347.89	4.53	-97.99
O=C([O-])CNC(=O)C1=CC=CC(S(=O)(=O)NC2=CC=CC(Cl)=C2)=C1	REAL300001114756	0	35	-2.0	-91.29	338.90	4.10	-87.19
O=C([O-])CNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2)=C1	REAL300001114756	1	35	-2.0	-91.29	338.90	4.10	-87.19
COC1=CC=C(NS(=O)(=O)C2=CC=CC(C(=O)NCC(=O)[O-])=C2)C=C1	REAL300001114758	0	39	-2.0	-94.61	351.69	2.87	-91.74
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NCC(=O)[O-])=C2)C=C1	REAL300001114758	1	39	-2.0	-94.61	351.69	2.87	-91.74
O=C([O-])CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300001114764	0	32	-2.0	-93.23	313.90	2.60	-90.63
CC(C)(C)NS(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])O1	REAL300001114773	0	34	-2.0	-90.69	307.48	-0.06	-90.75
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])O1	REAL300001114773	1	34	-2.0	-90.69	307.48	-0.06	-90.75
CC1=CC=C(NS(=O)(=O)C2=CC=CC(C(=O)NCC(=O)[O-])=C2)C=C1	REAL300001114818	0	38	-2.0	-96.57	343.57	4.25	-92.32
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NCC(=O)[O-])=C2)C=C1	REAL300001114818	1	38	-2.0	-96.57	343.57	4.25	-92.32
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)NCC(=O)[O-])=CC=C2C)C=C1	REAL300001114823	0	41	-2.0	-96.74	359.00	5.03	-91.71
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)NCC(=O)[O-])=CC=C2C)C=C1	REAL300001114823	1	41	-2.0	-96.74	359.00	5.03	-91.71
CC1=CC(S(=O)(=O)NC2=CC=C(C(=O)NCC(=O)[O-])C=C2)=CC=C1F	REAL300001114828	0	38	-2.0	-90.38	348.69	4.29	-86.09
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=CC=C1F	REAL300001114828	1	38	-2.0	-90.38	348.69	4.29	-86.09
CC1=CC(F)=CC=C1S(=O)(=O)NC1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300001114829	0	38	-2.0	-88.30	343.85	4.44	-83.86
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300001114829	1	38	-2.0	-88.30	343.85	4.44	-83.86
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)NCC(=O)[O-])=CC=C1F	REAL300001114833	0	38	-2.0	-99.43	346.39	4.56	-94.87
CC1=CC=C(S(=O)(=O)NC2=CC=C(F)C=C2)C=C1C(=O)NCC(=O)[O-]	REAL300001114859	0	38	-2.0	-96.04	344.66	4.34	-91.70
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2)C=C1C(=O)NCC(=O)[O-]	REAL300001114859	1	38	-2.0	-96.04	344.66	4.34	-91.70
CC1=CC=CC(NS(=O)(=O)C2=CC(C(=O)NCC(=O)[O-])=CC=C2C)=C1	REAL300001114860	0	41	-2.0	-97.11	359.00	5.02	-92.09
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)NCC(=O)[O-])=CC=C2C)=C1	REAL300001114860	1	41	-2.0	-97.11	359.00	5.02	-92.09
CC1=CC=CC(NS(=O)(=O)C2=CC=CC(C(=O)NCC(=O)[O-])=C2)=C1	REAL300001114862	0	38	-2.0	-97.00	343.57	4.25	-92.75
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)NCC(=O)[O-])=C2)=C1	REAL300001114862	1	38	-2.0	-97.00	343.57	4.25	-92.75
CC1=CC=CC(NS(=O)(=O)C2=CC=C(C)C(C(=O)NCC(=O)[O-])=C2)=C1	REAL300001114864	0	41	-2.0	-103.56	359.65	4.94	-98.62
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)NCC(=O)[O-])=C2)=C1	REAL300001114864	1	41	-2.0	-103.56	359.65	4.94	-98.62
CC1=CC=C(C)C(S(=O)(=O)NC2=CC=CC(C(=O)NCC(=O)[O-])=C2)=C1	REAL300001114873	0	41	-2.0	-96.41	359.05	5.04	-91.37
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NCC(=O)[O-])=C2)=C1	REAL300001114873	1	41	-2.0	-96.41	359.05	5.04	-91.37
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC(=O)[O-])=C1	REAL300001114914	0	35	-2.0	-108.47	317.80	-0.40	-108.87
O=C([O-])CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300001114956	0	32	-2.0	-94.61	314.08	2.61	-92.00
O=C([O-])CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300001114957	0	35	-2.0	-100.29	338.73	3.28	-97.01
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C1	REAL300001115153	1	39	-2.0	-87.55	351.66	2.87	-84.68
CC1=C(CC(=O)NCC(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001115198	1	34	-2.0	-103.03	306.46	2.02	-101.01
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(=O)[O-]	REAL300001115201	0	34	-2.0	-99.49	304.38	2.39	-97.10
O=C([O-])CNC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CC=CS1	REAL300001115296	0	38	-2.0	-108.18	357.46	5.14	-103.04
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300001115302	1	35	-2.0	-88.47	322.13	3.59	-84.88
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)NCC(=O)[O-])=C1	REAL300001115304	0	41	-2.0	-105.67	356.56	5.30	-100.37
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NCC(=O)[O-]	REAL300001115461	0	34	-2.0	-101.79	307.30	2.97	-98.82
O=C([O-])CNC(=O)C1=CC(Br)=C([O-])C(Br)=C1	REAL300001115494	0	21	-2.0	-81.89	241.80	2.92	-78.97
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300001115559	1	34	-2.0	-84.70	317.17	1.82	-82.88
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCC(=O)[O-])=N2)=C1	REAL300001115568	0	37	-2.0	-114.76	322.06	4.79	-109.97
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC(=O)[O-])=N2)C=C1	REAL300001115569	0	37	-2.0	-112.59	321.99	4.79	-107.80
O=C([O-])CNC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300001115592	0	28	-2.0	-80.64	283.69	1.03	-79.61
O=C([O-])CNC(=O)C1=CN=C(I)C([O-])=C1	REAL300001115602	0	20	-2.0	-84.42	222.93	0.76	-83.66
CC1=C(CC(=O)NCC(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001115621	1	34	-2.0	-101.46	305.73	1.96	-99.50
O=C([O-])CNC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300001115644	0	31	-2.0	-119.88	291.70	4.30	-115.58
CC1=C(CCC(=O)N(C)CC(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300001115990	1	44	-2.0	-103.85	359.86	5.96	-97.89
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)N(C)CC(=O)[O-])=C1	REAL300001116025	1	44	-2.0	-99.88	379.09	7.01	-92.87
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)N(C)CC(=O)[O-])C=C2)C=C1C	REAL300001116051	1	44	-2.0	-105.73	376.45	6.81	-98.92
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N(C)CC(=O)[O-])=C1	REAL300001116219	0	34	-2.0	-118.56	303.17	3.29	-115.27
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)N(C)CC(=O)[O-])C=C2)C=C1	REAL300001116293	1	45	-2.0	-102.24	389.38	5.83	-96.41
CN(CC(=O)[O-])C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1	REAL300001116392	1	38	-2.0	-111.28	345.71	5.66	-105.62
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)N(C)CC(=O)[O-])=C2)C=C1F	REAL300001116417	1	41	-2.0	-110.51	366.02	6.30	-104.21
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N(C)CC(=O)[O-]	REAL300001116433	0	34	-2.0	-119.41	302.82	3.52	-115.89
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N(C)CC(=O)[O-])C=C1	REAL300001116460	1	36	-2.0	-110.83	324.11	8.88	-101.95
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)CC(=O)[O-])C=C2)C=C1	REAL300001116494	1	45	-2.0	-98.73	389.53	5.82	-92.91
CN(CC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300001116495	1	38	-2.0	-98.12	344.43	5.67	-92.45
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)CC(=O)[O-])C=C1	REAL300001116497	1	41	-2.0	-99.65	358.05	6.38	-93.27
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)CC(=O)[O-])C=C2)=C1C	REAL300001116501	1	44	-2.0	-101.01	375.06	6.91	-94.10
COC1=CC=C(C(=O)N(C)CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1	REAL300001116507	0	45	-2.0	-124.41	388.87	6.08	-118.33
CN(CC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300001116594	1	38	-2.0	-104.50	338.04	5.60	-98.90
CN(CC(=O)[O-])C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300001116595	1	41	-2.0	-110.92	372.41	6.73	-104.19
CN(CC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300001116596	1	38	-2.0	-113.62	339.29	5.59	-108.03
CC1=CC(C(=O)N(C)CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300001116609	0	34	-2.0	-94.52	320.56	3.79	-90.73
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)CC(=O)[O-])C=C2)C=C1	REAL300001116695	1	41	-2.0	-100.30	359.55	6.29	-94.01
CN(CC(=O)[O-])C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300001116766	0	40	-2.0	-121.36	367.82	6.46	-114.90
CN(CC(=O)[O-])C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2)=C1	REAL300001116767	1	38	-2.0	-112.56	356.01	6.13	-106.43
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)N(C)CC(=O)[O-])=C1	REAL300001116768	0	42	-2.0	-121.96	368.52	4.93	-117.03
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)CC(=O)[O-])=C2)C=C1	REAL300001116769	1	42	-2.0	-116.31	368.81	4.89	-111.42
CN(CC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C=C1	REAL300001116771	0	40	-2.0	-101.77	366.25	6.27	-95.50
CN(CC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300001116775	0	35	-2.0	-108.80	329.99	4.62	-104.18
CN(CC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300001116786	1	37	-2.0	-94.56	325.77	2.28	-92.28
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)CC(=O)[O-])=C2)C=C1	REAL300001116854	1	41	-2.0	-118.60	360.69	6.27	-112.33
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)N(C)CC(=O)[O-])=CC=C2C)C=C1	REAL300001116861	1	44	-2.0	-119.01	376.12	7.05	-111.96
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)N(C)CC(=O)[O-])C=C2)=CC=C1F	REAL300001116866	1	41	-2.0	-98.55	364.75	6.30	-92.25
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)N(C)CC(=O)[O-])C=C1	REAL300001116867	1	41	-2.0	-104.05	359.94	6.45	-97.60
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N(C)CC(=O)[O-])=CC=C1F	REAL300001116871	0	41	-2.0	-120.89	366.33	6.49	-114.40
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)CC(=O)[O-])C=C1	REAL300001116898	0	42	-2.0	-103.45	367.39	4.95	-98.50
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2)C=C1C(=O)N(C)CC(=O)[O-]	REAL300001116900	1	41	-2.0	-94.43	365.61	6.31	-88.12
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)N(C)CC(=O)[O-])=CC=C2C)=C1	REAL300001116901	1	44	-2.0	-118.99	375.01	7.04	-111.95
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)CC(=O)[O-])=C2)=C1	REAL300001116903	1	41	-2.0	-119.09	360.69	6.28	-112.81
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)N(C)CC(=O)[O-])=C2)=C1	REAL300001116904	1	44	-2.0	-101.26	380.61	6.91	-94.35
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)N(C)CC(=O)[O-])=C2)=C1	REAL300001116910	1	44	-2.0	-113.55	376.19	7.03	-106.52
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N(C)CC(=O)[O-])=C1	REAL300001116965	0	38	-2.0	-124.52	336.98	1.53	-122.99
CN(CC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300001117014	0	35	-2.0	-111.78	331.23	4.61	-107.17
CN(CC(=O)[O-])C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300001117015	0	38	-2.0	-116.59	357.94	5.67	-110.92
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)CC(=O)[O-])C=C2)C=C1	REAL300001117276	1	42	-2.0	-98.56	367.68	4.89	-93.67
CN(CC(=O)[O-])C(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O	REAL300001117336	0	31	-2.0	-109.02	287.49	2.68	-106.34
CC1=C(CC(=O)N(C)CC(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001117346	1	37	-2.0	-124.81	325.66	4.41	-120.40
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N(C)CC(=O)[O-]	REAL300001117349	0	37	-2.0	-120.17	324.30	4.31	-115.86
CN(CC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300001117454	1	38	-2.0	-99.55	338.15	5.61	-93.94
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N(C)CC(=O)[O-])=C1	REAL300001117456	0	44	-2.0	-127.09	376.20	7.21	-119.88
CN(CC(=O)[O-])C(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O	REAL300001117689	0	37	-2.0	-123.34	327.33	4.88	-118.46
CN(CC(=O)[O-])C(=O)C1=CC(Br)=C([O-])C(Br)=C1	REAL300001117737	0	24	-2.0	-93.36	257.13	4.90	-88.46
CN(CC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300001117833	1	37	-2.0	-95.75	333.19	3.83	-91.92
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N(C)CC(=O)[O-])=N2)C=C1	REAL300001117842	0	40	-2.0	-128.14	338.45	7.47	-120.67
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(C)CC(=O)[O-])=N1	REAL300001117863	0	34	-2.0	-125.38	306.27	6.53	-118.85
CN(CC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300001117874	0	31	-2.0	-88.08	300.82	3.03	-85.05
CN(CC(=O)[O-])C(=O)C1=CN=C(I)C([O-])=C1	REAL300001117891	0	23	-2.0	-91.91	239.86	2.77	-89.14
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N(C)CC(=O)[O-])=N2)=C1	REAL300001117914	0	34	-2.0	-132.93	303.00	6.18	-126.75
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(C)CC(=O)[O-])=N1	REAL300001117915	0	37	-2.0	-131.54	317.83	7.07	-124.47
CC1=C(CC(=O)N(C)CC(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001117927	1	37	-2.0	-123.53	324.94	4.36	-119.17
CN(CC(=O)[O-])C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300001117968	0	34	-2.0	-135.77	313.37	6.33	-129.44
COC1=CC=C(N2C=C([O-])C(C(=O)N(C)CC(=O)[O-])=N2)C=C1	REAL300001117974	0	35	-2.0	-127.90	307.73	4.83	-123.07
CC1=C(CCC(=O)N(C)CCCC(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300001118539	1	50	-2.0	-102.39	402.38	7.13	-95.26
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N(C)CCCC(=O)[O-])=C1	REAL300001118858	0	40	-2.0	-112.36	345.70	4.45	-107.91
CN(CCCC(=O)[O-])C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1	REAL300001119109	1	44	-2.0	-110.04	388.23	6.83	-103.21
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N(C)CCCC(=O)[O-]	REAL300001119150	0	40	-2.0	-113.33	345.34	4.68	-108.65
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N(C)CCCC(=O)[O-])C=C1	REAL300001119188	1	42	-2.0	-109.50	366.60	10.05	-99.45
CN(CCCC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300001119238	1	44	-2.0	-95.88	386.95	6.83	-89.05
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)CCCC(=O)[O-])C=C1	REAL300001119240	1	47	-2.0	-100.08	400.58	7.54	-92.54
CN(CCCC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300001119355	1	44	-2.0	-102.12	380.56	6.76	-95.36
CN(CCCC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300001119356	1	44	-2.0	-110.78	381.81	6.78	-104.00
CC1=CC(C(=O)N(C)CCCC(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300001119368	0	40	-2.0	-92.98	363.09	4.96	-88.02
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)CCCC(=O)[O-])C=C2)C=C1	REAL300001119494	1	47	-2.0	-100.73	402.08	7.45	-93.28
CN(CCCC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300001119578	0	41	-2.0	-106.91	372.51	5.78	-101.13
CN(CCCC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300001119595	1	43	-2.0	-92.84	367.61	3.49	-89.35
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)CCCC(=O)[O-])O1	REAL300001119596	1	34	-2.0	-92.13	312.84	1.04	-91.09
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)CCCC(=O)[O-])=C2)C=C1	REAL300001119708	1	47	-2.0	-117.09	403.21	7.45	-109.64
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)CCCC(=O)[O-])=C2)=C1	REAL300001119747	1	47	-2.0	-117.61	403.21	7.45	-110.16
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N(C)CCCC(=O)[O-])=C1	REAL300001119819	0	44	-2.0	-119.84	379.49	2.70	-117.14
CN(CCCC(=O)[O-])C(=O)C1=CC=CC=C1[N-]S(C)(=O)=O	REAL300001119867	0	37	-2.0	-111.64	323.87	3.79	-107.85
CN(CCCC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300001119875	0	41	-2.0	-109.21	373.75	5.78	-103.43
CN(CCCC(=O)[O-])C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300001119876	0	44	-2.0	-116.08	400.46	6.84	-109.24
CC(C)C(=O)[N-]C1=NC(CC(=O)N(C)CCCC(=O)[O-])=CS1	REAL300001120190	1	41	-2.0	-111.25	357.35	5.39	-105.86
CN(CCCC(=O)[O-])C(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O	REAL300001120364	0	37	-2.0	-104.27	330.01	3.85	-100.42
CC1=C(CC(=O)N(C)CCCC(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001120373	1	43	-2.0	-119.83	368.19	5.58	-114.25
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N(C)CCCC(=O)[O-]	REAL300001120378	0	43	-2.0	-113.88	366.83	5.47	-108.41
CC1=C(C(=O)N(C)CCCC(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300001120429	1	43	-2.0	-115.77	356.92	5.16	-110.61
CN(CCCC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300001120536	1	44	-2.0	-100.00	380.68	6.77	-93.23
CN(CCCC(=O)[O-])C(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O	REAL300001120960	0	43	-2.0	-117.87	369.85	6.04	-111.83
CN(CCCC(=O)[O-])C(=O)C1=CC(Br)=C([O-])C(Br)=C1	REAL300001121043	0	30	-2.0	-91.97	299.65	6.07	-85.90
CN(CCCC(=O)[O-])C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300001121097	1	33	-2.0	-115.53	300.41	6.20	-109.33
CN(CCCC(=O)[O-])C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300001121173	0	36	-2.0	-105.86	321.94	2.92	-102.94
CN(CCCC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300001121227	1	43	-2.0	-96.36	375.71	5.00	-91.36
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N(C)CCCC(=O)[O-])=N2)=C1	REAL300001121242	0	46	-2.0	-122.85	381.04	8.62	-114.23
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N(C)CCCC(=O)[O-])=N2)C=C1	REAL300001121243	0	46	-2.0	-121.95	380.97	8.64	-113.31
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(C)CCCC(=O)[O-])=N1	REAL300001121297	0	40	-2.0	-119.14	347.54	7.64	-111.50
CN(CCCC(=O)[O-])C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300001121300	0	37	-2.0	-120.64	327.19	6.78	-113.86
CN(CCCC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300001121328	0	37	-2.0	-95.78	341.53	4.17	-91.61
CN(CCCC(=O)[O-])C(=O)C1=CN=C(I)C([O-])=C1	REAL300001121359	0	29	-2.0	-90.39	282.38	3.94	-86.45
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N(C)CCCC(=O)[O-])=N2)=C1	REAL300001121397	0	40	-2.0	-127.15	346.10	7.31	-119.84
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(C)CCCC(=O)[O-])=N1	REAL300001121398	0	43	-2.0	-125.15	361.70	8.40	-116.75
CC1=C(CC(=O)N(C)CCCC(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001121422	1	43	-2.0	-118.68	367.46	5.53	-113.15
CCOC1=CC(C(=O)N(C)CCCC(=O)[O-])=CC(Cl)=C1[O-]	REAL300001121495	1	37	-2.0	-98.95	327.78	6.35	-92.60
CN(CCCC(=O)[O-])C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300001121499	0	40	-2.0	-125.37	339.38	7.57	-117.80
COC1=CC=C(N2C=C([O-])C(C(=O)N(C)CCCC(=O)[O-])=N2)C=C1	REAL300001121505	0	41	-2.0	-121.75	350.26	6.01	-115.74
C[N-]S(=O)(=O)C1=CC(C(=O)N(C)CCCC(=O)[O-])=CO1	REAL300001121520	1	34	-2.0	-93.97	309.62	0.62	-93.35
CN(CCCC(=O)[O-])C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300001121982	0	30	-2.0	-110.32	294.04	6.53	-103.79
CC1=C(C(=O)N(C)CCCC(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300001122159	0	38	-2.0	-118.29	337.21	4.24	-114.05
CC1=C(CCC(=O)N2CCC[C@H](C(=O)[O-])C2)C(=O)NC(N2CCOCC2)=N1	REAL300001122525	0	51	-2.0	-103.97	400.17	7.24	-96.73
CC1=C(CCC(=O)N2CCC[C@H](C(=O)[O-])C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300001122525	1	51	-2.0	-103.97	400.17	7.24	-96.73
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300001122873	0	41	-2.0	-103.91	343.85	4.51	-99.40
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300001123183	0	41	-2.0	-108.71	344.62	4.78	-103.93
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300001123229	1	43	-2.0	-112.70	363.73	10.12	-102.58
O=C([O-])[C@H]1CCCN(C(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3)C=C2)C1	REAL300001123411	1	45	-2.0	-98.48	381.36	6.91	-91.57
O=C([O-])[C@H]1CCCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)C1	REAL300001123412	1	45	-2.0	-111.05	380.82	6.88	-104.17
CC1=CC(C(=O)N2CCC[C@H](C(=O)[O-])C2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300001123425	0	41	-2.0	-84.00	362.71	5.08	-78.92
O=C([O-])[C@H]1CCCN(C(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CS3)C=C2)C1	REAL300001123657	0	42	-2.0	-107.97	371.41	5.84	-102.13
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC[C@H](C(=O)[O-])C2)O1	REAL300001123675	1	44	-2.0	-88.79	365.73	3.38	-85.41
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC[C@H](C(=O)[O-])C2)O1	REAL300001123676	1	35	-2.0	-87.91	310.49	1.07	-86.84
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300001123916	0	45	-2.0	-109.21	378.75	2.75	-106.46
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300001123962	0	38	-2.0	-107.21	323.16	3.87	-103.34
O=C([O-])[C@H]1CCCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CS3)=C2)C1	REAL300001123970	0	42	-2.0	-108.65	372.77	5.89	-102.76
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC[C@H](C(=O)[O-])C2)=CS1	REAL300001124322	1	42	-2.0	-108.45	355.12	5.47	-102.98
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300001124530	0	38	-2.0	-98.79	328.87	3.91	-94.88
CC1=C(CC(=O)N2CCC[C@H](C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001124537	1	44	-2.0	-112.73	365.03	5.66	-107.07
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300001124542	0	44	-2.0	-109.31	366.12	5.57	-103.74
CC1=C(C(=O)N2CCC[C@H](C(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300001124604	1	44	-2.0	-109.16	353.35	5.34	-103.82
O=C([O-])[C@H]1CCCN(C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3)C=C2)C1	REAL300001124703	1	45	-2.0	-95.09	380.54	6.88	-88.21
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300001125252	0	44	-2.0	-111.90	366.15	6.11	-105.79
O=C([O-])[C@H]1CCCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300001125421	1	34	-2.0	-109.07	298.50	6.18	-102.89
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC[C@H](C(=O)[O-])C2)C=N1	REAL300001125508	0	37	-2.0	-100.03	322.34	3.10	-96.93
O=C([O-])[C@H]1CCCN(C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=NC=C3)C=C2)C1	REAL300001125569	1	44	-2.0	-91.52	376.50	5.15	-86.37
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC[C@H](C(=O)[O-])C3)=N2)=C1	REAL300001125584	0	47	-2.0	-119.40	378.45	8.65	-110.75
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC[C@H](C(=O)[O-])C3)=N2)C=C1	REAL300001125585	0	47	-2.0	-118.56	378.40	8.65	-109.91
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC[C@H](C(=O)[O-])C2)=N1	REAL300001125654	0	41	-2.0	-111.41	351.01	7.18	-104.23
O=C([O-])[C@H]1CCCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1	REAL300001125658	0	38	-2.0	-117.26	324.60	6.79	-110.47
O=C([O-])[C@H]1CCCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300001125679	1	36	-2.0	-113.83	297.92	7.88	-105.95
O=C([O-])[C@H]1CCCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)C1	REAL300001125697	0	38	-2.0	-93.85	342.36	4.31	-89.54
O=C([O-])[C@H]1CCCN(C(=O)C2=CN=C(I)C([O-])=C2)C1	REAL300001125735	0	30	-2.0	-86.66	282.06	4.08	-82.58
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC[C@H](C(=O)[O-])C3)=N2)=C1	REAL300001125784	0	41	-2.0	-123.55	342.49	7.36	-116.19
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC[C@H](C(=O)[O-])C2)=N1	REAL300001125785	0	44	-2.0	-120.68	364.36	7.93	-112.75
CC1=C(CC(=O)N2CCC[C@H](C(=O)[O-])C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001125826	1	44	-2.0	-111.23	365.21	5.64	-105.59
O=C([O-])[C@H]1CCCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300001125858	0	31	-2.0	-90.17	283.24	5.53	-84.64
CCOC1=CC(C(=O)N2CCC[C@H](C(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300001125942	1	38	-2.0	-94.56	328.09	6.51	-88.05
O=C([O-])[C@H]1CCCN(C(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])C1	REAL300001125946	0	41	-2.0	-122.88	337.12	7.59	-115.29
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC[C@H](C(=O)[O-])C3)=N2)C=C1	REAL300001125953	0	42	-2.0	-118.90	347.22	6.02	-112.88
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC[C@H](C(=O)[O-])C2)=CO1	REAL300001125970	1	35	-2.0	-103.06	309.38	0.76	-102.30
O=C([O-])[C@H]1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300001126090	0	34	-2.0	-85.26	292.70	4.37	-80.89
O=C([O-])[C@H]1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300001126090	1	34	-2.0	-85.23	292.77	4.37	-80.86
O=C([O-])[C@H]1CCCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300001126350	1	39	-2.0	-98.47	315.81	4.86	-93.61
O=C([O-])[C@H]1CCCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300001126553	0	31	-2.0	-105.08	293.31	6.24	-98.84
CC1=C(C(=O)N2CCC[C@H](C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300001126776	0	39	-2.0	-110.98	332.93	4.40	-106.58
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCCC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300001127593	0	44	-2.0	-106.18	385.71	5.71	-100.47
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCC1=CC=C(C(=O)[O-])C=C1	REAL300001127891	0	44	-2.0	-107.20	385.78	5.94	-101.26
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCCC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300001127936	1	46	-2.0	-113.94	408.14	10.86	-103.08
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCCC2=CC=C(C(=O)[O-])C=C2)O1	REAL300001128366	1	47	-2.0	-92.41	410.37	4.27	-88.14
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCCC2=CC=C(C(=O)[O-])C=C2)O1	REAL300001128367	1	38	-2.0	-92.40	356.76	1.74	-90.66
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCC1=CC=C(C(=O)[O-])C=C1	REAL300001128636	0	41	-2.0	-105.87	364.31	5.04	-100.83
CC(C)C(=O)[N-]C1=NC(CC(=O)NCCC2=CC=C(C(=O)[O-])C=C2)=CS1	REAL300001128986	1	45	-2.0	-107.83	398.50	6.14	-101.69
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCCC1=CC=C(C(=O)[O-])C=C1	REAL300001129222	0	41	-2.0	-99.50	370.73	5.11	-94.39
CC1=C(CC(=O)NCCC2=CC=C(C(=O)[O-])C=C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001129225	1	47	-2.0	-111.17	408.44	6.30	-104.87
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCC1=CC=C(C(=O)[O-])C=C1	REAL300001129228	0	47	-2.0	-107.64	407.28	6.72	-100.92
CC1=C(C(=O)NCCC2=CC=C(C(=O)[O-])C=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300001129309	1	47	-2.0	-92.52	388.40	6.52	-86.00
O=C([O-])C1=CC=C(CCNC(=O)C2=CC=C([O-])C(F)=C2)C=C1	REAL300001130369	1	34	-2.0	-97.13	310.13	5.96	-91.17
O=C([O-])C1=CC=C(CCNC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C=C1	REAL300001130380	1	37	-2.0	-106.91	340.46	8.52	-98.39
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCCC2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300001130487	0	40	-2.0	-97.98	365.36	4.07	-93.91
O=C([O-])C1=CC=C(CCNC(=O)C2=CN=C(C3CC3)[N-]C2=O)C=C1	REAL300001130523	1	39	-2.0	-91.95	343.18	5.47	-86.48
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCCC3=CC=C(C(=O)[O-])C=C3)=N2)=C1	REAL300001130581	0	50	-2.0	-115.67	424.96	9.11	-106.56
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCCC3=CC=C(C(=O)[O-])C=C3)=N2)C=C1	REAL300001130582	0	50	-2.0	-114.87	424.89	9.11	-105.76
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCCC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300001130677	0	44	-2.0	-112.09	387.01	8.19	-103.90
O=C([O-])C1=CC=C(CCNC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C=C1	REAL300001130682	0	41	-2.0	-114.07	371.11	7.26	-106.81
O=C([O-])C1=CC=C(CCNC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C=C1	REAL300001130720	1	39	-2.0	-113.48	344.27	8.14	-105.34
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCCC3=CC=C(C(=O)[O-])C=C3)=N2)=C1	REAL300001130886	0	44	-2.0	-119.76	389.45	7.84	-111.92
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCCC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300001130887	0	47	-2.0	-117.12	398.96	8.98	-108.14
CC1=C(CC(=O)NCCC2=CC=C(C(=O)[O-])C=C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001130964	1	47	-2.0	-110.02	408.62	6.29	-103.73
O=C([O-])C1=CC=C(CCNC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C=C1	REAL300001131024	0	34	-2.0	-95.37	326.13	6.53	-88.84
COC1=C(C(=O)NCCC2=CC=C(C(=O)[O-])C=C2)NC(=O)[N-]C1=O	REAL300001131040	1	37	-2.0	-97.64	332.28	1.60	-96.04
O=C([O-])C1=CC=C(CCNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300001131141	0	37	-2.0	-103.95	329.07	4.82	-99.13
O=C([O-])C1=CC=C(CCNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300001131141	1	37	-2.0	-103.96	329.13	4.83	-99.13
O=C([O-])C1=CC=C(CCNC(=O)C2=CC=C([O-])C(Cl)=C2)C=C1	REAL300001131177	0	34	-2.0	-94.00	319.92	6.46	-87.54
CCOC1=CC(C(=O)NCCC2=CC=C(C(=O)[O-])C=C2)=CC(Cl)=C1[O-]	REAL300001131180	1	41	-2.0	-98.16	370.97	7.50	-90.66
COC1=CC=C(N2C=C([O-])C(C(=O)NCCC3=CC=C(C(=O)[O-])C=C3)=N2)C=C1	REAL300001131190	0	45	-2.0	-114.90	394.18	6.49	-108.41
C[N-]S(=O)(=O)C1=CC(C(=O)NCCC2=CC=C(C(=O)[O-])C=C2)=CO1	REAL300001131214	1	38	-2.0	-103.28	355.90	1.71	-101.57
O=C([O-])C1=CC=C(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300001131380	0	37	-2.0	-89.49	339.66	4.62	-84.87
O=C([O-])C1=CC=C(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300001131380	1	37	-2.0	-89.45	339.73	4.62	-84.83
COCC1=NC=C(C(=O)NCCC2=CC=C(C(=O)[O-])C=C2)C(=O)[N-]1	REAL300001131712	1	39	-2.0	-91.70	345.02	3.11	-88.59
O=C([O-])C1=CC=C(CCNC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C=C1	REAL300001131760	1	42	-2.0	-91.82	358.93	6.02	-85.80
O=C([O-])C1=CC=C(CCNC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C=C1	REAL300001132081	0	34	-2.0	-102.37	334.52	8.55	-93.82
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC(=O)[O-])C2=CC=CS2)O1	REAL300001133820	1	35	-2.0	-90.67	339.22	0.77	-89.90
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(CC(=O)[O-])C2=CC=CS2)=CS1	REAL300001134286	1	42	-2.0	-108.56	386.95	5.68	-102.88
CC1=C(CC(=O)NC(CC(=O)[O-])C2=CC=CS2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001134469	1	44	-2.0	-121.29	396.87	5.83	-115.46
O=C([O-])CC(NC(=O)C1=CC=C([O-])C(F)=C1)C1=CC=CS1	REAL300001135358	1	31	-2.0	-99.36	298.50	5.65	-93.71
O=C([O-])CC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1=CC=CS1	REAL300001135368	1	34	-2.0	-110.93	328.84	8.18	-102.75
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(CC(=O)[O-])C2=CC=CS2)C=N1	REAL300001135452	0	37	-2.0	-104.34	353.73	3.76	-100.58
O=C([O-])CC(NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C1=CC=CS1	REAL300001135477	1	36	-2.0	-114.38	323.88	5.56	-108.82
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC(CC(=O)[O-])C3=CC=CS3)=N2)=C1	REAL300001135526	0	47	-2.0	-128.40	413.40	8.64	-119.76
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(CC(=O)[O-])C3=CC=CS3)=N2)C=C1	REAL300001135527	0	47	-2.0	-123.08	407.73	8.13	-114.95
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(CC(=O)[O-])C2=CC=CS2)=N1	REAL300001135593	0	41	-2.0	-123.35	380.35	7.95	-115.40
O=C([O-])CC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1=CC=CS1	REAL300001135598	0	38	-2.0	-122.99	359.55	6.79	-116.20
O=C([O-])CC(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=CC=CS1	REAL300001135627	1	36	-2.0	-124.90	327.10	7.16	-117.74
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(CC(=O)[O-])C3=CC=CS3)=N2)=C1	REAL300001135760	0	41	-2.0	-131.58	377.81	7.51	-124.07
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CC(=O)[O-])C2=CC=CS2)=N1	REAL300001135761	0	44	-2.0	-129.67	387.26	8.70	-120.97
CC1=C(CC(=O)NC(CC(=O)[O-])C2=CC=CS2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001135819	1	44	-2.0	-120.00	397.06	5.83	-114.17
O=C([O-])CC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=CC=CS1	REAL300001135874	0	31	-2.0	-94.95	314.58	6.07	-88.88
COC1=C(C(=O)NC(CC(=O)[O-])C2=CC=CS2)NC(=O)[N-]C1=O	REAL300001135885	1	34	-2.0	-96.58	320.46	1.25	-95.33
O=C([O-])CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CS1	REAL300001135959	0	34	-2.0	-102.59	311.53	3.85	-98.74
O=C([O-])CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CS1	REAL300001135959	1	34	-2.0	-102.64	311.59	3.87	-98.77
O=C([O-])CC(NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=CC=CS1	REAL300001135989	0	31	-2.0	-96.69	308.29	6.15	-90.54
CCOC1=CC(C(=O)NC(CC(=O)[O-])C2=CC=CS2)=CC(Cl)=C1[O-]	REAL300001135993	1	38	-2.0	-96.85	353.81	6.53	-90.32
COC1=CC=C(N2C=C([O-])C(C(=O)NC(CC(=O)[O-])C3=CC=CS3)=N2)C=C1	REAL300001135999	0	42	-2.0	-126.06	382.62	6.02	-120.04
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CC(=O)[O-])C2=CC=CS2)=CO1	REAL300001136014	1	35	-2.0	-98.87	338.85	0.80	-98.07
O=C([O-])CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CS1	REAL300001136148	0	34	-2.0	-90.91	328.03	4.28	-86.63
O=C([O-])CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CS1	REAL300001136148	1	34	-2.0	-90.90	328.10	4.28	-86.62
COCC1=NC=C(C(=O)NC(CC(=O)[O-])C2=CC=CS2)C(=O)[N-]1	REAL300001136404	1	36	-2.0	-113.56	325.72	3.22	-110.34
O=C([O-])CC(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1=CC=CS1	REAL300001136446	1	39	-2.0	-114.57	339.63	6.09	-108.48
O=C([O-])CC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=CC=CS1	REAL300001136684	0	31	-2.0	-107.73	322.90	8.21	-99.52
CC1=C(CCC(=O)NC(C(=O)[O-])C(C)C)C(=O)[N-]C(N2CCOCC2)=N1	REAL300001137360	1	50	-2.0	-106.39	395.38	5.74	-100.65
CC(C)C(NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1)C(=O)[O-]	REAL300001137778	1	44	-2.0	-108.61	383.31	5.81	-102.80
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300001137836	1	42	-2.0	-111.95	362.64	8.96	-102.99
CC(C)C(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300001137881	1	44	-2.0	-100.97	388.03	6.08	-94.89
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300001137883	1	47	-2.0	-100.51	401.69	6.76	-93.75
CC(C)C(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300001137972	1	44	-2.0	-106.91	376.04	5.85	-101.06
CC(C)C(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300001137973	1	44	-2.0	-112.41	376.20	5.84	-106.57
CC1=CC(C(=O)NC(C(=O)[O-])C(C)C)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300001137983	0	40	-2.0	-91.44	357.46	4.03	-87.41
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NC(C(=O)[O-])C(C)C)C=C2)C=C1	REAL300001138083	1	47	-2.0	-101.42	403.19	6.66	-94.76
CC(C)C(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300001138150	0	41	-2.0	-108.76	373.55	5.01	-103.75
CC(C)C(NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300001138167	1	43	-2.0	-96.67	365.41	2.26	-94.41
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C(C)C)O1	REAL300001138168	1	34	-2.0	-96.78	313.52	-0.19	-96.97
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NC(C(=O)[O-])C(C)C)=C2)C=C1	REAL300001138262	1	47	-2.0	-115.33	397.62	6.50	-108.83
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)NC(C(=O)[O-])C(C)C)=C2)=C1	REAL300001138289	1	47	-2.0	-115.28	401.30	6.69	-108.59
CC(C)C(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C(=O)[O-]	REAL300001138377	0	41	-2.0	-110.72	368.15	4.86	-105.86
CC(C)C(NC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300001138378	0	44	-2.0	-115.19	398.39	5.67	-109.52
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(C(=O)[O-])C(C)C)=CS1	REAL300001138600	1	41	-2.0	-109.97	352.40	4.21	-105.76
CC1=C(CC(=O)NC(C(=O)[O-])C(C)C)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001138746	1	43	-2.0	-127.65	366.11	4.41	-123.24
CC(C)C(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300001138875	1	44	-2.0	-100.27	381.79	6.00	-94.27
CC(C)C(NC(=O)C1=CC(Br)=C([O-])C(Br)=C1)C(=O)[O-]	REAL300001139260	0	30	-2.0	-94.67	297.11	5.08	-89.59
CC(C)C(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300001139297	1	33	-2.0	-118.42	292.88	6.34	-112.08
CC(C)C(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300001139353	0	36	-2.0	-102.89	319.26	2.14	-100.75
CC(C)C(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300001139394	1	43	-2.0	-96.40	371.90	4.00	-92.40
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C(C)C)=N2)=C1	REAL300001139408	0	46	-2.0	-132.19	378.86	7.18	-125.01
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C(C)C)=N2)C=C1	REAL300001139409	0	46	-2.0	-131.45	376.06	7.01	-124.44
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(C(=O)[O-])C(C)C)=N1	REAL300001139445	0	40	-2.0	-127.54	343.28	6.05	-121.49
CC(C)C(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300001139448	0	37	-2.0	-128.03	325.01	5.33	-122.70
CC(C)C(NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300001139469	0	37	-2.0	-96.68	343.34	3.42	-93.26
CC(C)C(NC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300001139495	0	29	-2.0	-99.35	280.67	3.19	-96.16
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C(C)C)=N2)=C1	REAL300001139519	0	40	-2.0	-135.95	340.29	5.68	-130.27
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(C(=O)[O-])C(C)C)=N1	REAL300001139520	0	43	-2.0	-134.05	359.86	6.98	-127.07
CC1=C(CC(=O)NC(C(=O)[O-])C(C)C)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001139534	1	43	-2.0	-126.17	359.80	4.19	-121.98
CCOC1=CC(C(=O)NC(C(=O)[O-])C(C)C)=CC(Cl)=C1[O-]	REAL300001139587	1	37	-2.0	-102.39	327.73	5.59	-96.80
CC(C)C(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300001139590	0	40	-2.0	-136.06	348.50	6.70	-129.36
COC1=CC=C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C(C)C)=N2)C=C1	REAL300001139593	0	41	-2.0	-131.12	345.35	4.39	-126.73
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C(=O)[O-])C(C)C)=CO1	REAL300001139602	1	34	-2.0	-102.70	306.74	-0.45	-103.15
CC(C)C(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300001139951	0	30	-2.0	-113.95	285.35	6.39	-107.56
CC1=C(CCC(=O)NCCCC(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300001140326	1	47	-2.0	-97.58	384.29	5.02	-92.56
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)NCCCC(=O)[O-])=C1	REAL300001140370	1	47	-2.0	-99.25	401.77	6.47	-92.78
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCCC(=O)[O-])C=C2)C=C1C	REAL300001140401	1	47	-2.0	-97.82	404.03	6.24	-91.58
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCCCC(=O)[O-])=C1	REAL300001140598	0	37	-2.0	-97.56	326.44	2.83	-94.73
O=C([O-])CCCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1	REAL300001140814	1	41	-2.0	-94.54	372.22	5.08	-89.46
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NCCCC(=O)[O-])=C2)C=C1F	REAL300001140842	1	44	-2.0	-96.40	392.51	5.73	-90.67
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCCC(=O)[O-]	REAL300001140861	0	37	-2.0	-98.59	326.52	3.05	-95.54
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCCCC(=O)[O-])C=C1	REAL300001140897	1	39	-2.0	-103.43	348.51	7.97	-95.46
O=C([O-])CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300001140943	1	41	-2.0	-90.10	372.00	5.10	-85.00
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCCCC(=O)[O-])C=C1	REAL300001140945	1	44	-2.0	-92.51	385.67	5.80	-86.71
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCCCC(=O)[O-])C=C2)=C1C	REAL300001140949	1	47	-2.0	-93.94	402.68	6.34	-87.60
O=C([O-])CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300001141056	1	41	-2.0	-96.54	365.61	5.04	-91.50
O=C([O-])CCCNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300001141057	1	44	-2.0	-98.31	396.84	5.78	-92.53
O=C([O-])CCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300001141058	1	41	-2.0	-99.09	365.78	5.03	-94.06
CC1=CC(C(=O)NCCCC(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300001141073	0	37	-2.0	-81.66	347.03	3.21	-78.45
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCCCC(=O)[O-])C=C2)C=C1	REAL300001141181	1	44	-2.0	-93.23	387.17	5.71	-87.52
O=C([O-])CCCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2)=C1	REAL300001141257	1	41	-2.0	-95.81	382.53	5.54	-90.27
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)NCCCC(=O)[O-])=C1	REAL300001141258	0	45	-2.0	-104.26	395.03	4.36	-99.90
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NCCCC(=O)[O-])=C2)C=C1	REAL300001141259	1	45	-2.0	-99.29	395.31	4.32	-94.97
O=C([O-])CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300001141264	0	38	-2.0	-95.71	357.53	4.04	-91.67
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCCCC(=O)[O-])O1	REAL300001141277	1	40	-2.0	-90.49	352.95	1.27	-89.22
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NCCCC(=O)[O-])=C2)C=C1	REAL300001141355	1	44	-2.0	-101.08	387.19	5.69	-95.39
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)NCCCC(=O)[O-])=CC=C2C)C=C1	REAL300001141362	1	47	-2.0	-101.07	402.63	6.48	-94.59
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCCC(=O)[O-])C=C2)=CC=C1F	REAL300001141368	1	44	-2.0	-90.59	392.32	5.73	-84.86
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NCCCC(=O)[O-])C=C1	REAL300001141369	1	44	-2.0	-90.69	387.48	5.88	-84.81
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)NCCCC(=O)[O-])=CC=C1F	REAL300001141372	0	44	-2.0	-98.83	390.03	6.01	-92.82
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCCCC(=O)[O-])C=C1	REAL300001141399	0	45	-2.0	-96.32	395.01	4.37	-91.95
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2)C=C1C(=O)NCCCC(=O)[O-]	REAL300001141401	1	44	-2.0	-93.75	388.29	5.76	-87.99
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)NCCCC(=O)[O-])=CC=C2C)=C1	REAL300001141402	1	47	-2.0	-101.51	402.63	6.46	-95.05
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)NCCCC(=O)[O-])=C2)=C1	REAL300001141403	1	44	-2.0	-101.57	387.20	5.70	-95.87
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)NCCCC(=O)[O-])=C2)=C1	REAL300001141404	1	47	-2.0	-100.54	403.29	6.37	-94.17
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NCCCC(=O)[O-])=C2)=C1	REAL300001141409	1	47	-2.0	-99.26	402.68	6.46	-92.80
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCCCC(=O)[O-])=C1	REAL300001141472	0	41	-2.0	-104.01	361.45	1.04	-102.97
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCCC(=O)[O-]	REAL300001141515	0	34	-2.0	-97.23	305.05	2.15	-95.08
O=C([O-])CCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300001141525	0	38	-2.0	-97.51	357.72	4.05	-93.46
O=C([O-])CCCNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300001141526	0	41	-2.0	-103.67	382.37	4.72	-98.95
CC(C)C(=O)[N-]C1=NC(CC(=O)NCCCC(=O)[O-])=CS1	REAL300001141797	1	38	-2.0	-97.59	339.24	3.25	-94.34
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCCCC(=O)[O-])C=C2)C=C1	REAL300001141862	1	45	-2.0	-91.56	395.29	4.32	-87.24
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCCCC(=O)[O-]	REAL300001141940	0	34	-2.0	-91.67	311.46	2.22	-89.45
CC1=C(CC(=O)NCCCC(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001141950	1	40	-2.0	-103.31	350.09	3.46	-99.85
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCCC(=O)[O-]	REAL300001141953	0	40	-2.0	-99.03	348.02	3.84	-95.19
O=C([O-])CCCNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300001142090	1	41	-2.0	-92.58	365.77	5.03	-87.55
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)NCCCC(=O)[O-])=C1	REAL300001142092	0	47	-2.0	-104.57	400.20	6.75	-97.82
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NCCCC(=O)[O-]	REAL300001142407	0	40	-2.0	-101.93	350.94	4.40	-97.53
O=C([O-])CCCNC(=O)C1=CC(Br)=C([O-])C(Br)=C1	REAL300001142476	0	27	-2.0	-83.75	285.44	4.36	-79.39
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCCCC(=O)[O-])C=N1	REAL300001142572	0	33	-2.0	-93.82	306.10	1.18	-92.64
O=C([O-])CCCNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300001142614	1	40	-2.0	-88.95	360.81	3.26	-85.69
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCCCC(=O)[O-])=N2)=C1	REAL300001142627	0	43	-2.0	-110.69	365.70	6.23	-104.46
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCCCC(=O)[O-])=N2)C=C1	REAL300001142628	0	43	-2.0	-109.33	365.63	6.23	-103.10
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCCCC(=O)[O-])=N1	REAL300001142663	0	37	-2.0	-106.19	333.17	5.33	-100.86
O=C([O-])CCCNC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300001142666	0	34	-2.0	-106.98	311.85	4.38	-102.60
O=C([O-])CCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300001142686	0	34	-2.0	-83.85	327.32	2.48	-81.37
O=C([O-])CCCNC(=O)C1=CN=C(I)C([O-])=C1	REAL300001142707	0	26	-2.0	-87.29	266.56	2.20	-85.09
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCCCC(=O)[O-])=N2)=C1	REAL300001142740	0	37	-2.0	-113.31	330.19	4.96	-108.35
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCCCC(=O)[O-])=N1	REAL300001142741	0	40	-2.0	-111.73	346.68	6.04	-105.69
CC1=C(CC(=O)NCCCC(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001142757	1	40	-2.0	-101.89	349.37	3.40	-98.49
CCOC1=CC(C(=O)NCCCC(=O)[O-])=CC(Cl)=C1[O-]	REAL300001142814	1	34	-2.0	-91.71	311.71	4.61	-87.10
O=C([O-])CCCNC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300001142818	0	37	-2.0	-114.39	335.34	5.75	-108.64
COC1=CC=C(N2C=C([O-])C(C(=O)NCCCC(=O)[O-])=N2)C=C1	REAL300001142827	0	38	-2.0	-109.35	334.92	3.61	-105.74
CC1=C(C(=O)NCCCC(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300001143290	0	35	-2.0	-99.25	309.37	2.73	-96.52
CC1=C(CCC(=O)N2CCC(C(=O)[O-])CC2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300001143610	1	51	-2.0	-97.44	398.71	7.20	-90.24
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300001143958	0	41	-2.0	-106.73	344.58	4.56	-102.17
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])CC1	REAL300001144268	0	41	-2.0	-107.32	345.67	4.84	-102.48
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300001144314	1	43	-2.0	-101.91	364.45	10.18	-91.73
O=C([O-])C1CCN(C(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3)C=C2)CC1	REAL300001144496	1	45	-2.0	-102.77	381.45	6.94	-95.83
O=C([O-])C1CCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)CC1	REAL300001144497	1	45	-2.0	-103.74	378.84	6.83	-96.91
CC1=CC(C(=O)N2CCC(C(=O)[O-])CC2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300001144510	0	41	-2.0	-86.59	361.30	5.04	-81.55
O=C([O-])C1CCN(C(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CS3)C=C2)CC1	REAL300001144742	0	42	-2.0	-97.60	373.38	5.95	-91.65
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(C(=O)[O-])CC2)O1	REAL300001144760	1	44	-2.0	-96.04	363.93	3.54	-92.50
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(C(=O)[O-])CC2)O1	REAL300001144761	1	35	-2.0	-95.03	310.35	0.98	-94.05
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300001145001	0	45	-2.0	-114.49	379.26	2.80	-111.69
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])CC1	REAL300001145047	0	38	-2.0	-105.12	320.47	3.91	-101.21
O=C([O-])C1CCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CS3)=C2)CC1	REAL300001145055	0	42	-2.0	-102.85	372.55	5.90	-96.95
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC(C(=O)[O-])CC2)=CS1	REAL300001145407	1	42	-2.0	-100.05	355.15	5.50	-94.55
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCC(C(=O)[O-])CC1	REAL300001145615	0	38	-2.0	-99.46	329.60	3.96	-95.50
CC1=C(CC(=O)N2CCC(C(=O)[O-])CC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001145622	1	44	-2.0	-103.87	366.01	5.73	-98.14
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])CC1	REAL300001145627	0	44	-2.0	-107.93	367.17	5.62	-102.31
CC1=C(C(=O)N2CCC(C(=O)[O-])CC2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300001145689	1	44	-2.0	-110.38	353.72	5.24	-105.14
O=C([O-])C1CCN(C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3)C=C2)CC1	REAL300001145788	1	45	-2.0	-96.45	381.55	6.94	-89.51
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)N1CCC(C(=O)[O-])CC1	REAL300001146337	0	44	-2.0	-110.98	366.95	6.18	-104.80
O=C([O-])C1CCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CC1	REAL300001146506	1	34	-2.0	-106.26	298.71	6.75	-99.51
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC(C(=O)[O-])CC2)C=N1	REAL300001146593	0	37	-2.0	-95.66	319.13	2.89	-92.77
O=C([O-])C1CCN(C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=NC=C3)C=C2)CC1	REAL300001146654	1	44	-2.0	-92.76	376.61	5.16	-87.60
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC(C(=O)[O-])CC3)=N2)=C1	REAL300001146669	0	47	-2.0	-114.15	376.81	8.58	-105.57
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC(C(=O)[O-])CC3)=N2)C=C1	REAL300001146670	0	47	-2.0	-113.58	378.34	8.67	-104.91
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC(C(=O)[O-])CC2)=N1	REAL300001146739	0	41	-2.0	-113.59	349.05	7.14	-106.45
O=C([O-])C1CCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CC1	REAL300001146743	0	38	-2.0	-110.20	323.02	6.74	-103.46
O=C([O-])C1CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)CC1	REAL300001146764	1	36	-2.0	-114.07	297.92	7.91	-106.16
O=C([O-])C1CCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)CC1	REAL300001146782	0	38	-2.0	-88.40	340.38	4.26	-84.14
O=C([O-])C1CCN(C(=O)C2=CN=C(I)C([O-])=C2)CC1	REAL300001146820	0	30	-2.0	-91.40	279.75	3.90	-87.50
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC(C(=O)[O-])CC3)=N2)=C1	REAL300001146869	0	41	-2.0	-116.63	341.36	7.32	-109.31
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC(C(=O)[O-])CC2)=N1	REAL300001146870	0	44	-2.0	-111.62	363.05	7.86	-103.76
CC1=C(CC(=O)N2CCC(C(=O)[O-])CC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001146911	1	44	-2.0	-102.15	366.19	5.72	-96.43
O=C([O-])C1CCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)CC1	REAL300001146943	0	31	-2.0	-90.57	279.98	5.43	-85.14
CCOC1=CC(C(=O)N2CCC(C(=O)[O-])CC2)=CC(Cl)=C1[O-]	REAL300001147027	1	38	-2.0	-94.45	324.82	6.40	-88.05
O=C([O-])C1CCN(C(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])CC1	REAL300001147031	0	41	-2.0	-120.75	351.62	7.57	-113.18
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC(C(=O)[O-])CC3)=N2)C=C1	REAL300001147038	0	42	-2.0	-113.44	347.92	6.08	-107.36
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(C(=O)[O-])CC2)=CO1	REAL300001147055	1	35	-2.0	-91.45	309.07	0.75	-90.70
O=C([O-])C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300001147175	0	34	-2.0	-86.59	293.40	4.44	-82.15
O=C([O-])C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300001147175	1	34	-2.0	-86.59	293.47	4.44	-82.15
O=C([O-])C1CCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)CC1	REAL300001147435	1	39	-2.0	-107.95	321.85	5.01	-102.94
O=C([O-])C1CCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300001147638	0	31	-2.0	-102.40	294.34	6.36	-96.04
CC1=C(C(=O)N2CCC(C(=O)[O-])CC2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300001147861	0	39	-2.0	-113.11	333.42	4.68	-108.43
CC1=C(CCC(=O)NC2(C(=O)[O-])CCCC2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300001148251	1	51	-2.0	-111.84	398.29	6.73	-105.11
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300001148780	1	43	-2.0	-136.92	362.85	9.70	-127.22
O=C([O-])C1(NC(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3)C=C2)CCCC1	REAL300001148927	1	45	-2.0	-111.77	379.60	6.78	-104.99
O=C([O-])C1(NC(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)CCCC1	REAL300001148928	1	45	-2.0	-120.66	379.19	6.75	-113.91
CC1=CC(C(=O)NC2(C(=O)[O-])CCCC2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300001148939	0	41	-2.0	-96.79	360.44	4.94	-91.85
O=C([O-])C1(NC(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CS3)C=C2)CCCC1	REAL300001149123	0	42	-2.0	-110.06	371.52	5.78	-104.28
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(C(=O)[O-])CCCC2)O1	REAL300001149140	1	44	-2.0	-100.88	366.40	2.99	-97.89
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(C(=O)[O-])CCCC2)O1	REAL300001149141	1	35	-2.0	-99.67	310.94	0.58	-99.09
O=C([O-])C1(NC(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CS3)=C2)CCCC1	REAL300001149369	0	42	-2.0	-118.79	371.12	5.75	-113.04
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2(C(=O)[O-])CCCC2)=CS1	REAL300001149623	1	42	-2.0	-124.66	353.23	4.96	-119.70
CC1=C(CC(=O)NC2(C(=O)[O-])CCCC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001149795	1	44	-2.0	-135.85	363.19	5.12	-130.73
O=C([O-])C1(NC(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3)C=C2)CCCC1	REAL300001149924	1	45	-2.0	-105.45	379.76	6.77	-98.68
O=C([O-])C1(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CCCC1	REAL300001150456	1	34	-2.0	-128.56	294.64	6.91	-121.65
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2(C(=O)[O-])CCCC2)C=N1	REAL300001150522	0	37	-2.0	-108.73	319.55	2.91	-105.82
O=C([O-])C1(NC(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=NC=C3)C=C2)CCCC1	REAL300001150567	1	44	-2.0	-101.86	374.81	5.00	-96.86
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CCCC3)=N2)=C1	REAL300001150581	0	47	-2.0	-141.61	379.65	8.01	-133.60
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CCCC3)=N2)C=C1	REAL300001150582	0	47	-2.0	-140.40	379.58	8.02	-132.38
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2(C(=O)[O-])CCCC2)=N1	REAL300001150629	0	41	-2.0	-136.72	347.11	7.11	-129.61
O=C([O-])C1(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CCCC1	REAL300001150633	0	38	-2.0	-138.03	325.80	6.16	-131.87
O=C([O-])C1(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)CCCC1	REAL300001150648	1	36	-2.0	-142.85	298.45	6.53	-136.32
O=C([O-])C1(NC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)CCCC1	REAL300001150664	0	38	-2.0	-104.39	340.73	4.18	-100.21
O=C([O-])C1(NC(=O)C2=CN=C(I)C([O-])=C2)CCCC1	REAL300001150694	0	30	-2.0	-107.03	280.55	3.93	-103.10
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CCCC3)=N2)=C1	REAL300001150726	0	41	-2.0	-145.77	343.64	6.72	-139.05
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2(C(=O)[O-])CCCC2)=N1	REAL300001150727	0	44	-2.0	-144.31	360.15	7.80	-136.51
CC1=C(CC(=O)NC2(C(=O)[O-])CCCC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001150752	1	44	-2.0	-134.39	363.36	5.11	-129.28
O=C([O-])C1(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)CCCC1	REAL300001150777	0	31	-2.0	-103.74	280.27	5.37	-98.37
CCOC1=CC(C(=O)NC2(C(=O)[O-])CCCC2)=CC(Cl)=C1[O-]	REAL300001150835	1	38	-2.0	-108.26	325.12	6.34	-101.92
O=C([O-])C1(NC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])CCCC1	REAL300001150838	0	41	-2.0	-144.61	349.29	7.53	-137.08
COC1=CC=C(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CCCC3)=N2)C=C1	REAL300001150842	0	42	-2.0	-139.92	348.87	5.39	-134.53
C[N-]S(=O)(=O)C1=CC(C(=O)NC2(C(=O)[O-])CCCC2)=CO1	REAL300001150852	1	35	-2.0	-111.06	310.04	0.57	-110.49
O=C([O-])C1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCCC1	REAL300001150946	0	34	-2.0	-94.46	294.35	3.48	-90.98
O=C([O-])C1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCCC1	REAL300001150946	1	34	-2.0	-94.45	294.42	3.49	-90.96
O=C([O-])C1(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)CCCC1	REAL300001151145	1	39	-2.0	-113.00	313.66	4.84	-108.16
O=C([O-])C1(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCCC1	REAL300001151298	0	31	-2.0	-123.57	288.71	6.93	-116.64
CC1=C(CCC(=O)NC2(C(=O)[O-])CCCCC2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300001151862	1	54	-2.0	-111.79	412.81	7.80	-103.99
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2(C(=O)[O-])CCCCC2)C=C1	REAL300001152412	1	46	-2.0	-137.11	376.51	10.77	-126.34
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(C(=O)[O-])CCCCC2)O1	REAL300001152773	1	47	-2.0	-100.00	379.61	4.22	-95.78
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(C(=O)[O-])CCCCC2)O1	REAL300001152774	1	38	-2.0	-98.73	325.99	1.69	-97.04
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2(C(=O)[O-])CCCCC2)=CS1	REAL300001153273	1	45	-2.0	-124.90	367.72	6.03	-118.87
CC1=C(CC(=O)NC2(C(=O)[O-])CCCCC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001153465	1	47	-2.0	-123.23	377.68	6.20	-117.03
O=C([O-])C1(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CCCCC1	REAL300001154239	1	37	-2.0	-128.10	309.68	7.98	-120.12
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2(C(=O)[O-])CCCCC2)C=N1	REAL300001154315	0	40	-2.0	-108.19	334.60	4.01	-104.18
O=C([O-])C1(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)CCCCC1	REAL300001154333	1	39	-2.0	-115.26	312.56	5.36	-109.90
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CCCCC3)=N2)=C1	REAL300001154381	0	50	-2.0	-142.03	394.20	9.07	-132.96
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CCCCC3)=N2)C=C1	REAL300001154382	0	50	-2.0	-140.69	394.13	9.07	-131.62
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2(C(=O)[O-])CCCCC2)=N1	REAL300001154434	0	44	-2.0	-137.04	361.66	8.17	-128.87
O=C([O-])C1(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CCCCC1	REAL300001154439	0	41	-2.0	-138.40	340.34	7.22	-131.18
O=C([O-])C1(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)CCCCC1	REAL300001154457	1	39	-2.0	-142.56	313.50	7.60	-134.96
O=C([O-])C1(NC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)CCCCC1	REAL300001154475	0	41	-2.0	-103.79	355.83	5.27	-98.52
O=C([O-])C1(NC(=O)C2=CN=C(I)C([O-])=C2)CCCCC1	REAL300001154515	0	33	-2.0	-107.16	295.06	5.01	-102.15
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CCCCC3)=N2)=C1	REAL300001154563	0	44	-2.0	-145.80	358.68	7.80	-138.00
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2(C(=O)[O-])CCCCC2)=N1	REAL300001154564	0	47	-2.0	-143.53	368.05	8.96	-134.57
CC1=C(CC(=O)NC2(C(=O)[O-])CCCCC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001154606	1	47	-2.0	-121.01	377.87	6.19	-114.82
O=C([O-])C1(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)CCCCC1	REAL300001154641	0	34	-2.0	-103.15	295.36	6.47	-96.68
COC1=C(C(=O)NC2(C(=O)[O-])CCCCC2)NC(=O)[N-]C1=O	REAL300001154647	1	37	-2.0	-104.11	301.52	1.08	-103.03
CCOC1=CC(C(=O)NC2(C(=O)[O-])CCCCC2)=CC(Cl)=C1[O-]	REAL300001154725	1	41	-2.0	-107.70	340.21	7.44	-100.26
O=C([O-])C1(NC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])CCCCC1	REAL300001154728	0	44	-2.0	-145.18	363.83	8.59	-136.59
COC1=CC=C(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CCCCC3)=N2)C=C1	REAL300001154733	0	45	-2.0	-140.17	363.42	6.44	-133.73
C[N-]S(=O)(=O)C1=CC(C(=O)NC2(C(=O)[O-])CCCCC2)=CO1	REAL300001154744	1	38	-2.0	-110.25	325.12	1.66	-108.59
O=C([O-])C1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCCCC1	REAL300001154850	0	37	-2.0	-94.47	308.90	4.55	-89.92
O=C([O-])C1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCCCC1	REAL300001154850	1	37	-2.0	-94.49	308.97	4.55	-89.94
COCC1=NC=C(C(=O)NC2(C(=O)[O-])CCCCC2)C(=O)[N-]1	REAL300001155061	1	39	-2.0	-114.26	314.42	3.01	-111.25
O=C([O-])C1(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)CCCCC1	REAL300001155095	1	42	-2.0	-113.98	328.22	5.90	-108.08
O=C([O-])C1(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCCCC1	REAL300001155290	0	34	-2.0	-123.11	303.76	8.01	-115.10
CC1=C(CCC(=O)N2CCCCC2C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300001155896	1	51	-2.0	-124.75	394.37	8.33	-116.42
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300001156425	1	43	-2.0	-136.97	358.73	11.12	-125.85
O=C([O-])C1CCCCN1C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300001156572	1	45	-2.0	-116.19	373.24	8.01	-108.18
O=C([O-])C1CCCCN1C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300001156573	1	45	-2.0	-117.83	378.48	8.22	-109.61
CC1=CC(C(=O)N2CCCCC2C(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300001156584	0	41	-2.0	-101.70	360.82	6.38	-95.32
O=C([O-])C1CCCCN1C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300001156768	0	42	-2.0	-114.57	365.15	7.02	-107.55
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCCC2C(=O)[O-])O1	REAL300001156785	1	44	-2.0	-102.75	359.19	4.64	-98.11
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCCC2C(=O)[O-])O1	REAL300001156786	1	35	-2.0	-101.29	304.42	2.20	-99.09
O=C([O-])C1CCCCN1C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300001157014	0	42	-2.0	-116.07	370.24	7.20	-108.87
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCCCC2C(=O)[O-])=CS1	REAL300001157268	1	42	-2.0	-130.72	349.41	6.54	-124.18
CC1=C(CC(=O)N2CCCCC2C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001157440	1	44	-2.0	-138.36	359.20	6.79	-131.57
O=C([O-])C1CCCCN1C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300001157569	1	45	-2.0	-110.33	374.79	8.09	-102.24
O=C([O-])C1CCCCN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300001158101	1	34	-2.0	-139.01	289.16	7.87	-131.14
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCCCC2C(=O)[O-])C=N1	REAL300001158167	0	37	-2.0	-112.43	313.69	4.06	-108.37
O=C([O-])C1CCCCN1C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300001158212	1	44	-2.0	-106.89	369.85	6.32	-100.57
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCCCC3C(=O)[O-])=N2)=C1	REAL300001158226	0	47	-2.0	-150.34	372.59	9.71	-140.63
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCCCC3C(=O)[O-])=N2)C=C1	REAL300001158227	0	47	-2.0	-149.58	372.53	9.78	-139.80
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCCCC2C(=O)[O-])=N1	REAL300001158274	0	41	-2.0	-142.46	340.65	8.11	-134.35
O=C([O-])C1CCCCN1C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300001158278	0	38	-2.0	-148.03	318.80	7.86	-140.17
O=C([O-])C1CCCCN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300001158293	1	36	-2.0	-150.10	294.13	8.06	-142.04
O=C([O-])C1CCCCN1C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300001158309	0	38	-2.0	-101.67	339.84	5.63	-96.04
O=C([O-])C1CCCCN1C(=O)C1=CN=C(I)C([O-])=C1	REAL300001158339	0	30	-2.0	-111.50	275.03	5.09	-106.41
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCCCC3C(=O)[O-])=N2)=C1	REAL300001158371	0	41	-2.0	-154.96	337.14	8.45	-146.51
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCCCC2C(=O)[O-])=N1	REAL300001158372	0	44	-2.0	-147.84	355.90	8.70	-139.14
CC1=C(CC(=O)N2CCCCC2C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001158397	1	44	-2.0	-136.70	359.38	6.80	-129.90
O=C([O-])C1CCCCN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300001158422	0	31	-2.0	-107.63	275.42	6.63	-101.00
CCOC1=CC(C(=O)N2CCCCC2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300001158480	1	38	-2.0	-113.07	324.29	7.79	-105.28
O=C([O-])C1CCCCN1C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300001158483	0	41	-2.0	-152.15	331.44	8.50	-143.65
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCCCC3C(=O)[O-])=N2)C=C1	REAL300001158487	0	42	-2.0	-149.08	341.85	7.07	-142.01
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCCCC2C(=O)[O-])=CO1	REAL300001158497	1	35	-2.0	-115.79	304.41	2.05	-113.74
O=C([O-])C1CCCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300001158591	0	34	-2.0	-98.37	287.72	5.24	-93.13
O=C([O-])C1CCCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300001158591	1	34	-2.0	-98.33	287.79	5.25	-93.08
O=C([O-])C1CCCCN1C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300001158790	1	39	-2.0	-131.56	316.98	5.83	-125.73
O=C([O-])C1CCCCN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300001158943	0	31	-2.0	-133.30	283.28	7.89	-125.41
CC1=C(CCC(=O)N(C)CC(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300001159331	1	44	-2.0	-103.85	359.86	5.96	-97.89
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)N(C)CC(=O)[O-])=C1	REAL300001159366	1	44	-2.0	-99.88	379.09	7.01	-92.87
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)N(C)CC(=O)[O-])C=C2)C=C1C	REAL300001159392	1	44	-2.0	-105.73	376.45	6.81	-98.92
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N(C)CC(=O)[O-])=C1	REAL300001159560	0	34	-2.0	-118.56	303.17	3.29	-115.27
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)N(C)CC(=O)[O-])C=C2)C=C1	REAL300001159634	1	45	-2.0	-102.24	389.38	5.83	-96.41
CN(CC(=O)[O-])C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1	REAL300001159733	1	38	-2.0	-111.28	345.71	5.66	-105.62
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)N(C)CC(=O)[O-])=C2)C=C1F	REAL300001159758	1	41	-2.0	-110.51	366.02	6.30	-104.21
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N(C)CC(=O)[O-]	REAL300001159774	0	34	-2.0	-119.41	302.82	3.52	-115.89
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N(C)CC(=O)[O-])C=C1	REAL300001159801	1	36	-2.0	-110.83	324.11	8.88	-101.95
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)CC(=O)[O-])C=C2)C=C1	REAL300001159835	1	45	-2.0	-98.73	389.53	5.82	-92.91
CN(CC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300001159836	1	38	-2.0	-98.12	344.43	5.67	-92.45
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)CC(=O)[O-])C=C1	REAL300001159838	1	41	-2.0	-99.65	358.05	6.38	-93.27
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)CC(=O)[O-])C=C2)=C1C	REAL300001159842	1	44	-2.0	-101.01	375.06	6.91	-94.10
COC1=CC=C(C(=O)N(C)CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1	REAL300001159848	0	45	-2.0	-124.41	388.87	6.08	-118.33
CN(CC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300001159935	1	38	-2.0	-104.50	338.04	5.60	-98.90
CN(CC(=O)[O-])C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300001159936	1	41	-2.0	-110.92	372.41	6.73	-104.19
CN(CC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300001159937	1	38	-2.0	-113.62	339.29	5.59	-108.03
CC1=CC(C(=O)N(C)CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300001159950	0	34	-2.0	-94.52	320.56	3.79	-90.73
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)CC(=O)[O-])C=C2)C=C1	REAL300001160036	1	41	-2.0	-100.30	359.55	6.29	-94.01
CN(CC(=O)[O-])C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300001160107	0	40	-2.0	-121.36	367.82	6.46	-114.90
CN(CC(=O)[O-])C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2)=C1	REAL300001160108	1	38	-2.0	-112.56	356.01	6.13	-106.43
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)N(C)CC(=O)[O-])=C1	REAL300001160109	0	42	-2.0	-121.96	368.52	4.93	-117.03
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)CC(=O)[O-])=C2)C=C1	REAL300001160110	1	42	-2.0	-116.31	368.81	4.89	-111.42
CN(CC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C=C1	REAL300001160112	0	40	-2.0	-101.77	366.25	6.27	-95.50
CN(CC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300001160116	0	35	-2.0	-108.80	329.99	4.62	-104.18
CN(CC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300001160127	1	37	-2.0	-94.56	325.77	2.28	-92.28
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)CC(=O)[O-])=C2)C=C1	REAL300001160195	1	41	-2.0	-118.60	360.69	6.27	-112.33
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)N(C)CC(=O)[O-])=CC=C2C)C=C1	REAL300001160202	1	44	-2.0	-119.01	376.12	7.05	-111.96
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)N(C)CC(=O)[O-])C=C2)=CC=C1F	REAL300001160207	1	41	-2.0	-98.55	364.75	6.30	-92.25
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)N(C)CC(=O)[O-])C=C1	REAL300001160208	1	41	-2.0	-104.05	359.94	6.45	-97.60
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N(C)CC(=O)[O-])=CC=C1F	REAL300001160212	0	41	-2.0	-120.89	366.33	6.49	-114.40
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)CC(=O)[O-])C=C1	REAL300001160239	0	42	-2.0	-103.45	367.39	4.95	-98.50
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2)C=C1C(=O)N(C)CC(=O)[O-]	REAL300001160241	1	41	-2.0	-94.43	365.61	6.31	-88.12
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)N(C)CC(=O)[O-])=CC=C2C)=C1	REAL300001160242	1	44	-2.0	-118.99	375.01	7.04	-111.95
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)CC(=O)[O-])=C2)=C1	REAL300001160244	1	41	-2.0	-119.09	360.69	6.28	-112.81
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)N(C)CC(=O)[O-])=C2)=C1	REAL300001160245	1	44	-2.0	-101.26	380.61	6.91	-94.35
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)N(C)CC(=O)[O-])=C2)=C1	REAL300001160251	1	44	-2.0	-113.55	376.19	7.03	-106.52
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N(C)CC(=O)[O-])=C1	REAL300001160306	0	38	-2.0	-124.52	336.98	1.53	-122.99
CN(CC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300001160355	0	35	-2.0	-111.78	331.23	4.61	-107.17
CN(CC(=O)[O-])C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300001160356	0	38	-2.0	-116.59	357.94	5.67	-110.92
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)CC(=O)[O-])C=C2)C=C1	REAL300001160617	1	42	-2.0	-98.56	367.68	4.89	-93.67
CN(CC(=O)[O-])C(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O	REAL300001160677	0	31	-2.0	-109.02	287.49	2.68	-106.34
CC1=C(CC(=O)N(C)CC(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001160687	1	37	-2.0	-124.81	325.66	4.41	-120.40
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N(C)CC(=O)[O-]	REAL300001160690	0	37	-2.0	-120.17	324.30	4.31	-115.86
CN(CC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300001160795	1	38	-2.0	-99.55	338.15	5.61	-93.94
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N(C)CC(=O)[O-])=C1	REAL300001160797	0	44	-2.0	-127.09	376.20	7.21	-119.88
CN(CC(=O)[O-])C(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O	REAL300001161030	0	37	-2.0	-123.34	327.33	4.88	-118.46
CN(CC(=O)[O-])C(=O)C1=CC(Br)=C([O-])C(Br)=C1	REAL300001161078	0	24	-2.0	-93.36	257.13	4.90	-88.46
CN(CC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300001161174	1	37	-2.0	-95.75	333.19	3.83	-91.92
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N(C)CC(=O)[O-])=N2)C=C1	REAL300001161183	0	40	-2.0	-128.14	338.45	7.47	-120.67
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(C)CC(=O)[O-])=N1	REAL300001161204	0	34	-2.0	-125.38	306.27	6.53	-118.85
CN(CC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300001161215	0	31	-2.0	-88.08	300.82	3.03	-85.05
CN(CC(=O)[O-])C(=O)C1=CN=C(I)C([O-])=C1	REAL300001161232	0	23	-2.0	-91.91	239.86	2.77	-89.14
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N(C)CC(=O)[O-])=N2)=C1	REAL300001161255	0	34	-2.0	-132.93	303.00	6.18	-126.75
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(C)CC(=O)[O-])=N1	REAL300001161256	0	37	-2.0	-131.54	317.83	7.07	-124.47
CC1=C(CC(=O)N(C)CC(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001161268	1	37	-2.0	-123.53	324.94	4.36	-119.17
CN(CC(=O)[O-])C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300001161309	0	34	-2.0	-135.77	313.37	6.33	-129.44
COC1=CC=C(N2C=C([O-])C(C(=O)N(C)CC(=O)[O-])=N2)C=C1	REAL300001161315	0	35	-2.0	-127.90	307.73	4.83	-123.07
CC1=C(CCC(=O)NCCC(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300001161771	1	44	-2.0	-100.23	362.79	4.22	-96.01
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)NCCC(=O)[O-])=C1	REAL300001161808	1	44	-2.0	-96.58	380.27	5.68	-90.90
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C=C1C	REAL300001161834	1	44	-2.0	-98.30	382.53	5.45	-92.85
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCCC(=O)[O-])=C1	REAL300001162004	0	34	-2.0	-103.19	304.95	2.03	-101.16
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C=C1	REAL300001162080	1	45	-2.0	-94.84	395.45	4.47	-90.37
O=C([O-])CCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1	REAL300001162180	1	38	-2.0	-99.25	350.72	4.29	-94.96
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NCCC(=O)[O-])=C2)C=C1F	REAL300001162205	1	41	-2.0	-99.35	371.02	4.94	-94.41
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCC(=O)[O-]	REAL300001162221	0	34	-2.0	-104.33	305.02	2.26	-102.07
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCCC(=O)[O-])C=C1	REAL300001162248	1	36	-2.0	-109.02	327.01	7.17	-101.85
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C=C1	REAL300001162282	1	45	-2.0	-92.56	395.65	4.45	-88.11
O=C([O-])CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300001162284	1	38	-2.0	-90.80	350.51	4.31	-86.49
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCCC(=O)[O-])C=C1	REAL300001162286	1	41	-2.0	-93.27	364.18	5.01	-88.26
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)=C1C	REAL300001162290	1	44	-2.0	-94.59	381.18	5.54	-89.05
COC1=CC=C(C(=O)NCCC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1	REAL300001162296	0	45	-2.0	-111.54	393.85	4.70	-106.84
O=C([O-])CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300001162385	1	38	-2.0	-97.07	344.11	4.24	-92.83
O=C([O-])CCNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300001162386	1	41	-2.0	-103.39	375.34	4.98	-98.41
O=C([O-])CCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300001162387	1	38	-2.0	-102.00	344.28	4.23	-97.77
CC1=CC(C(=O)NCCC(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300001162401	0	34	-2.0	-82.52	325.53	2.42	-80.10
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C=C1	REAL300001162488	1	41	-2.0	-93.98	365.67	4.92	-89.06
O=C([O-])CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300001162560	0	40	-2.0	-108.01	370.02	5.19	-102.82
O=C([O-])CCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2)=C1	REAL300001162561	1	38	-2.0	-100.56	361.03	4.75	-95.81
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)NCCC(=O)[O-])=C1	REAL300001162562	0	42	-2.0	-109.11	373.53	3.57	-105.54
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NCCC(=O)[O-])=C2)C=C1	REAL300001162563	1	42	-2.0	-103.95	373.82	3.52	-100.43
O=C([O-])CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C=C1	REAL300001162565	0	40	-2.0	-94.85	372.33	4.91	-89.94
O=C([O-])CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300001162569	0	35	-2.0	-98.54	336.03	3.24	-95.30
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCCC(=O)[O-])O1	REAL300001162580	1	37	-2.0	-88.45	331.45	0.47	-87.98
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NCCC(=O)[O-])=C2)C=C1	REAL300001162648	1	41	-2.0	-105.96	365.70	4.90	-101.06
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)NCCC(=O)[O-])=CC=C2C)C=C1	REAL300001162655	1	44	-2.0	-105.91	381.13	5.68	-100.23
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)=CC=C1F	REAL300001162660	1	41	-2.0	-91.24	370.82	4.94	-86.30
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NCCC(=O)[O-])C=C1	REAL300001162661	1	41	-2.0	-93.60	365.98	5.08	-88.52
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)NCCC(=O)[O-])=CC=C1F	REAL300001162665	0	41	-2.0	-105.10	368.53	5.22	-99.88
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCCC(=O)[O-])C=C1	REAL300001162692	0	42	-2.0	-97.08	373.51	3.58	-93.50
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2)C=C1C(=O)NCCC(=O)[O-]	REAL300001162694	1	41	-2.0	-91.29	366.80	4.97	-86.32
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)NCCC(=O)[O-])=CC=C2C)=C1	REAL300001162695	1	44	-2.0	-106.35	381.13	5.67	-100.68
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)NCCC(=O)[O-])=C2)=C1	REAL300001162697	1	41	-2.0	-106.39	365.70	4.91	-101.48
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)NCCC(=O)[O-])=C2)=C1	REAL300001162698	1	44	-2.0	-97.88	381.79	5.58	-92.30
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NCCC(=O)[O-])=C2)=C1	REAL300001162704	1	44	-2.0	-101.98	381.18	5.67	-96.31
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCCC(=O)[O-])=C1	REAL300001162759	0	38	-2.0	-108.43	339.66	0.26	-108.17
O=C([O-])CCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300001162809	0	35	-2.0	-100.48	336.22	3.25	-97.23
O=C([O-])CCNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300001162810	0	38	-2.0	-108.94	360.87	3.93	-105.01
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C=C1	REAL300001163078	1	42	-2.0	-92.36	373.80	3.52	-88.84
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCCC(=O)[O-]	REAL300001163138	0	31	-2.0	-96.01	289.96	1.43	-94.58
CC1=C(CC(=O)NCCC(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001163148	1	37	-2.0	-109.02	328.59	2.66	-106.36
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCC(=O)[O-]	REAL300001163151	0	37	-2.0	-104.85	326.52	3.04	-101.81
O=C([O-])CCNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300001163261	1	38	-2.0	-93.32	344.27	4.24	-89.08
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)NCCC(=O)[O-])=C1	REAL300001163263	0	44	-2.0	-110.94	378.70	5.96	-104.98
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NCCC(=O)[O-]	REAL300001163498	0	37	-2.0	-107.78	329.44	3.61	-104.17
O=C([O-])CCNC(=O)C1=CC(Br)=C([O-])C(Br)=C1	REAL300001163550	0	24	-2.0	-85.26	263.94	3.56	-81.70
O=C([O-])CCNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300001163649	1	37	-2.0	-89.74	339.31	2.46	-87.28
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCCC(=O)[O-])=N2)=C1	REAL300001163658	0	40	-2.0	-115.59	344.20	5.43	-110.16
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCCC(=O)[O-])=N2)C=C1	REAL300001163659	0	40	-2.0	-114.43	344.13	5.43	-109.00
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCCC(=O)[O-])=N1	REAL300001163680	0	34	-2.0	-111.43	311.67	4.53	-106.90
O=C([O-])CCNC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300001163692	0	31	-2.0	-87.02	305.82	1.68	-85.34
O=C([O-])CCNC(=O)C1=CN=C(I)C([O-])=C1	REAL300001163709	0	23	-2.0	-89.73	245.06	1.40	-88.33
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCCC(=O)[O-])=N2)=C1	REAL300001163735	0	34	-2.0	-118.83	308.69	4.16	-114.67
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCCC(=O)[O-])=N1	REAL300001163736	0	37	-2.0	-117.18	325.20	5.25	-111.93
CC1=C(CC(=O)NCCC(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001163748	1	37	-2.0	-107.52	327.87	2.61	-104.91
O=C([O-])CCNC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300001163791	0	34	-2.0	-118.83	313.84	4.95	-113.88
COC1=CC=C(N2C=C([O-])C(C(=O)NCCC(=O)[O-])=N2)C=C1	REAL300001163799	0	35	-2.0	-114.39	313.42	2.81	-111.58
CC1=CC=CC([N-]S(=O)(=O)C2=CC(NC(=O)C3(C(=O)[O-])CC3)=CC=C2C)=C1	REAL300001188111	1	45	-2.0	-111.31	387.41	6.99	-104.32
CC1=CC=CC([N-]S(=O)(=O)C2=CC(NC(=O)C3(C(=O)[O-])CC3)=CC=C2C)=C1	REAL300001188112	1	45	-2.0	-111.31	387.41	6.99	-104.32
CC1=CC=CC([N-]S(=O)(=O)C2=CC(NC(=O)C(C)(C)C(=O)[O-])=CC=C2C)=C1	REAL300001188113	1	47	-2.0	-132.75	394.37	7.59	-125.16
CC1=CC=CC([N-]S(=O)(=O)C2=CC(NC(=O)CCCC(=O)[O-])=CC=C2C)=C1	REAL300001188114	1	47	-2.0	-125.42	401.38	7.07	-118.35
CC1=CC=CC([N-]S(=O)(=O)C2=CC(NC(=O)COCC(=O)[O-])=CC=C2C)=C1	REAL300001188115	1	45	-2.0	-129.90	393.51	6.24	-123.66
CC1=CC=CC([N-]S(=O)(=O)C2=CC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])=CC=C2C)=C1	REAL300001188116	1	45	-2.0	-110.61	386.59	7.85	-102.76
CCC(C(=O)[O-])C(=O)NC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C)=C2)=C1	REAL300001188117	1	47	-2.0	-118.13	399.48	6.90	-111.23
CC1=CC=CC([N-]S(=O)(=O)C2=CC(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])=CC=C2C)=C1	REAL300001188118	1	45	-2.0	-114.04	391.33	7.03	-107.01
COC(C(=O)[O-])C(=O)NC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C)=C2)=C1	REAL300001188119	1	45	-2.0	-108.68	389.73	6.09	-102.59
CC1=CC=CC([N-]S(=O)(=O)C2=CC(NC(=O)C(C)C(=O)[O-])=CC=C2C)=C1	REAL300001188120	1	44	-2.0	-130.23	375.13	7.00	-123.23
CCN(CC1=NC(=O)C2=CC=CC=C2[N-]1)C(=O)C12CC(C(=O)[O-])(C1)C2	REAL300001189248	1	42	-2.0	-103.32	348.97	7.37	-95.95
CCN(CC1=NC(=O)C2=CC=CC=C2[N-]1)C(=O)C12CCC(C(=O)[O-])(CC1)C2	REAL300001189252	1	48	-2.0	-106.14	379.63	7.79	-98.35
CCN(CC1=NC(=O)C2=CC=CC=C2[N-]1)C(=O)C12CCC(C(=O)[O-])(CC1)CC2	REAL300001189253	1	51	-2.0	-101.84	388.47	7.90	-93.94
CCN(CC1=NC(=O)C2=CC=CC=C2[N-]1)C(=O)C12CC(C(=O)[O-])(C1)CO2	REAL300001189322	1	43	-2.0	-103.00	360.44	6.35	-96.65
CCN(CC1=NC(=O)C2=CC=CC=C2[N-]1)C(=O)C12CCC(C(=O)[O-])(CC1)CC2	REAL300001189341	1	51	-2.0	-101.84	388.47	7.90	-93.94
CN(CC1=NC(=O)C2=CC=CC=C2[N-]1)C(=O)C12CC(C(=O)[O-])(C1)C2	REAL300001189376	1	39	-2.0	-104.04	332.93	6.56	-97.48
CN(CC1=NC(=O)C2=CC=CC=C2[N-]1)C(=O)C12CCC(C(=O)[O-])(CC1)C2	REAL300001189380	1	45	-2.0	-112.11	360.19	7.28	-104.83
CN(CC1=NC(=O)C2=CC=CC=C2[N-]1)C(=O)C12CCC(C(=O)[O-])(CC1)CC2	REAL300001189381	1	48	-2.0	-102.66	369.34	7.59	-95.07
CN(CC1=NC(=O)C2=CC=CC=C2[N-]1)C(=O)C12CC(C(=O)[O-])(C1)CO2	REAL300001189455	1	40	-2.0	-102.33	342.72	5.12	-97.21
CN(CC1=NC(=O)C2=CC=CC=C2[N-]1)C(=O)C12CCC(C(=O)[O-])(CC1)CC2	REAL300001189475	1	48	-2.0	-102.66	369.34	7.59	-95.07
CC1=CC=C(NC(=O)C(C)C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1	REAL300001246998	1	41	-2.0	-122.68	370.54	6.87	-115.81
CC1=CC=C(NC(=O)C(C)C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1	REAL300001247024	1	41	-2.0	-123.17	370.45	6.84	-116.33
O=C([O-])CCCC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1	REAL300001249464	1	41	-2.0	-96.46	369.05	5.86	-90.60
CC(CC(=O)[O-])CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1	REAL300001249465	1	44	-2.0	-94.53	381.66	6.30	-88.23
O=C([O-])COCC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1	REAL300001249466	1	39	-2.0	-99.04	361.18	5.01	-94.03
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1	REAL300001249467	1	42	-2.0	-112.67	368.72	7.07	-105.60
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1	REAL300001249468	1	42	-2.0	-112.67	368.72	7.07	-105.60
O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1	REAL300001249469	1	39	-2.0	-114.05	355.22	6.30	-107.75
CCC(C(=O)[O-])C(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1	REAL300001249470	1	41	-2.0	-98.52	361.45	5.82	-92.70
CC(C)C(C(=O)[O-])C(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1	REAL300001249471	1	44	-2.0	-101.35	383.23	6.27	-95.08
O=C([O-])[C@@H]1C[C@H]1C(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1	REAL300001249472	1	39	-2.0	-93.45	360.22	5.78	-87.67
O=C([O-])[C@H]1C[C@@H](C(=O)NC2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(F)C=C2)C1	REAL300001249473	1	42	-2.0	-101.31	374.83	6.24	-95.07
CCCC(C(=O)[O-])C(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1	REAL300001249474	1	44	-2.0	-99.76	383.64	6.50	-93.26
COC(C(=O)[O-])C(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1	REAL300001249475	1	39	-2.0	-105.63	358.62	4.87	-100.76
C[C@]1(C(=O)NC2=CC=CC=C2[N-]S(=O)(=O)C2=CC=C(F)C=C2)C[C@H]1C(=O)[O-]	REAL300001249476	1	42	-2.0	-115.87	376.30	6.76	-109.11
CC(C(=O)[O-])C(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1	REAL300001249477	1	38	-2.0	-100.66	344.27	5.77	-94.89
O=C([O-])C1=CC=C(C(=O)NC2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300001249555	0	42	-2.0	-95.46	375.83	7.19	-88.27
O=C([O-])C1=CC=CC(C(=O)NC2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300001249556	0	42	-2.0	-104.35	376.66	7.17	-97.18
O=C([O-])C1=CC=CC(C(=O)NC2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC=C2)=N1	REAL300001249557	0	41	-2.0	-111.30	373.96	5.46	-105.84
O=C([O-])C1=CC(C(=O)NC2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC=C2)=CC=N1	REAL300001249558	0	41	-2.0	-103.39	372.74	5.39	-98.00
O=C([O-])C1=CC=C(C(=O)NC2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC=C2)O1	REAL300001249559	0	39	-2.0	-99.88	362.27	5.58	-94.30
O=C([O-])C1=CC=C(C(=O)NC2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC=C2)C=N1	REAL300001249560	0	41	-2.0	-96.75	371.72	5.42	-91.33
O=C([O-])C1=CC=C(C(=O)NC2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC=C2)N=C1	REAL300001249561	0	41	-2.0	-94.66	373.23	5.47	-89.19
CC(C)(CC(=O)[O-])CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300001249562	0	47	-2.0	-98.04	385.00	6.62	-91.42
O=C([O-])C1=CN=C(C(=O)NC2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC=C2)C=N1	REAL300001249563	0	40	-2.0	-94.08	369.63	3.59	-90.49
O=C([O-])C1=CC=C(C(=O)NC2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300001249564	0	42	-2.0	-95.46	375.83	7.19	-88.27
O=C([O-])[C@@H]1CC[C@H](C(=O)NC2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC=C2)C1	REAL300001249565	0	45	-2.0	-104.33	384.31	6.75	-97.58
O=C([O-])C1=CC=NC(C(=O)NC2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300001249566	0	41	-2.0	-100.48	373.43	5.47	-95.01
CC(C)(CC(=O)[O-])CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300001249567	0	47	-2.0	-98.04	385.00	6.62	-91.42
O=C([O-])CCCC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300001249568	0	41	-2.0	-102.52	362.65	5.80	-96.72
CC(CC(=O)[O-])CC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300001249569	0	44	-2.0	-100.56	375.25	6.24	-94.32
O=C([O-])C1=CC(C(=O)NC2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC=C2)=NO1	REAL300001249570	0	38	-2.0	-91.58	356.71	4.77	-86.81
O=C([O-])CSCCC(=O)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300001249571	0	42	-2.0	-95.60	385.68	6.39	-89.21
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CC(SC1=CC=CC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C(=O)[O-]	REAL300001254191	0	39	-2.0	-108.59	347.72	7.21	-101.38
CC(SC1=CC=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C(=O)[O-]	REAL300001254191	1	39	-2.0	-108.62	347.76	7.21	-101.41
CCOC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1OCC(=O)[O-]	REAL300001254192	0	43	-2.0	-95.18	377.01	6.41	-88.77
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CC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC(C)=C1OCC(=O)[O-]	REAL300001254201	0	42	-2.0	-91.88	370.03	7.29	-84.59
CC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC(C)=C1OCC(=O)[O-]	REAL300001254201	1	42	-2.0	-91.86	370.08	7.29	-84.57
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O=C([O-])C1CCCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300001254203	0	38	-2.0	-107.74	314.32	5.53	-102.21
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O=C([O-])C1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=C1	REAL300001254205	1	31	-2.0	-83.81	292.33	3.74	-80.07
CC(C)(CC(=O)[O-])CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300001254206	0	37	-2.0	-95.38	304.11	4.89	-90.49
CC(C)(CC(=O)[O-])CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300001254206	1	37	-2.0	-95.36	304.15	4.88	-90.48
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O=C([O-])C1=CN=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300001254208	1	30	-2.0	-84.58	287.64	1.89	-82.69
O=C([O-])[C@H]1CC[C@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300001254209	0	38	-2.0	-92.84	321.36	5.69	-87.15
O=C([O-])[C@H]1CC[C@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300001254209	1	38	-2.0	-92.81	321.40	5.70	-87.11
O=C([O-])C1CCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300001254210	0	38	-2.0	-92.69	320.85	5.69	-87.00
O=C([O-])C1CCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300001254210	1	38	-2.0	-92.69	320.63	5.70	-86.99
O=C([O-])C1=CC=C(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300001254211	0	35	-2.0	-106.15	319.62	6.14	-100.01
O=C([O-])C1=CC=C(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300001254211	1	35	-2.0	-106.10	319.67	6.14	-99.96
O=C([O-])C1=CN(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=N1	REAL300001254212	0	31	-2.0	-109.45	296.82	2.12	-107.33
O=C([O-])C1=CN(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=N1	REAL300001254212	1	31	-2.0	-109.47	296.77	2.13	-107.34
CC1=NC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1C(=O)[O-]	REAL300001254213	0	34	-2.0	-83.16	308.45	4.27	-78.89
CC1=NC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1C(=O)[O-]	REAL300001254213	1	34	-2.0	-83.11	308.49	4.27	-78.84
O=C([O-])C1=CC(Br)=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300001254214	0	32	-2.0	-94.76	316.25	6.06	-88.70
O=C([O-])C1=CC(Br)=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300001254214	1	32	-2.0	-94.75	316.29	6.07	-88.68
O=C([O-])C1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300001254215	0	32	-2.0	-90.65	294.95	5.47	-85.18
O=C([O-])C1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300001254215	1	32	-2.0	-90.67	294.99	5.46	-85.21
O=C([O-])[C@@H]1CC[C@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300001254216	0	35	-2.0	-102.91	302.58	5.05	-97.86
O=C([O-])[C@@H]1CC[C@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300001254216	1	35	-2.0	-102.90	302.62	5.04	-97.86
O=C([O-])CC1=CC=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300001254217	0	35	-2.0	-98.41	317.13	6.22	-92.19
O=C([O-])CC1=CC=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300001254217	1	35	-2.0	-98.40	317.17	6.22	-92.18
O=C([O-])C1=CC=CC=C1C1=CC=CC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300001254218	0	42	-2.0	-114.30	361.01	8.81	-105.49
O=C([O-])C1=CC=CC=C1C1=CC=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300001254218	1	42	-2.0	-114.28	361.07	8.80	-105.48
O=C([O-])CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=CO1	REAL300001254219	0	32	-2.0	-105.47	297.41	4.38	-101.09
O=C([O-])CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=CO1	REAL300001254219	1	32	-2.0	-105.44	297.46	4.38	-101.06
CC1=COC(CC(=O)[O-])=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300001254220	0	35	-2.0	-102.51	324.23	5.00	-97.51
CC1=COC(CC(=O)[O-])=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300001254220	1	35	-2.0	-102.52	324.28	4.99	-97.53
O=C([O-])C1=CC=NC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300001254221	0	31	-2.0	-93.11	292.59	3.74	-89.37
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CC1=C(C(=O)[O-])C=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300001254293	1	35	-2.0	-98.63	305.09	6.02	-92.61
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O=C([O-])C1=CC=CC2=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=CC=C12	REAL300001254297	1	38	-2.0	-94.64	330.76	7.55	-87.09
CC(C)[C@]1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C[C@H]1C(=O)[O-]	REAL300001254298	0	38	-2.0	-109.76	324.11	5.61	-104.15
CC(C)[C@]1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C[C@H]1C(=O)[O-]	REAL300001254298	1	38	-2.0	-109.72	324.14	5.61	-104.11
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CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300001254302	0	35	-2.0	-101.91	301.63	5.01	-96.90
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300001254302	1	35	-2.0	-101.92	301.66	5.00	-96.92
O=C([O-])C1=C2CCCCC2=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)S1	REAL300001254303	0	39	-2.0	-87.40	343.95	7.01	-80.39
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O=C([O-])C12CCC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)(CC1)CC2	REAL300001254304	0	42	-2.0	-92.03	338.55	6.35	-85.68
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O=C([O-])C1(C(=O)NCC2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC=C2)CC1	REAL300001276365	1	42	-2.0	-106.87	374.93	5.73	-101.14
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CC(C)(C(=O)[O-])C(=O)NCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300001276367	1	44	-2.0	-109.01	382.08	6.43	-102.58
O=C([O-])CCCC(=O)NCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300001276368	1	44	-2.0	-103.25	389.12	5.78	-97.47
CC(CC(=O)[O-])CC(=O)NCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300001276369	1	47	-2.0	-101.09	401.73	6.22	-94.87
O=C([O-])COCC(=O)NCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300001276370	1	42	-2.0	-105.98	381.25	5.03	-100.95
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300001276371	1	45	-2.0	-123.87	389.73	6.03	-117.84
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300001276372	1	45	-2.0	-123.87	389.73	6.03	-117.84
O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300001276373	1	42	-2.0	-113.22	376.25	5.68	-107.54
CCC(C(=O)[O-])C(=O)NCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300001276374	1	44	-2.0	-116.88	387.11	5.61	-111.27
CC(C)C(C(=O)[O-])C(=O)NCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300001276375	1	47	-2.0	-118.02	403.18	6.18	-111.84
O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300001276376	1	42	-2.0	-100.16	378.69	5.71	-94.45
O=C([O-])[C@H]1C[C@@H](C(=O)NCC2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC=C2)C1	REAL300001276377	1	45	-2.0	-103.16	394.10	6.18	-96.98
CCCC(C(=O)[O-])C(=O)NCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300001276378	1	47	-2.0	-115.13	403.43	6.46	-108.67
COC(C(=O)[O-])C(=O)NCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300001276379	1	42	-2.0	-105.62	378.36	4.89	-100.73
C[C@]1(C(=O)NCC2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300001276380	1	45	-2.0	-126.53	396.70	6.19	-120.34
CC(C(=O)[O-])C(=O)NCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300001276381	1	41	-2.0	-108.75	363.41	5.86	-102.89
CC1CC1(C(=O)[O-])C(=O)NCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300001276382	1	45	-2.0	-108.69	391.45	6.27	-102.42
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O=C([O-])C1=CC=C(C(=O)NCCNC(=O)C2=NC=CC=C2[O-])O1	REAL300001290925	1	34	-2.0	-101.24	320.48	1.89	-99.35
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CC1=CC(C(=O)NCCNC(=O)C2=NC=CC=C2[O-])=CC(C)=C1OCC(=O)[O-]	REAL300001290927	1	47	-2.0	-101.74	409.14	5.31	-96.43
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O=C([O-])C1=CC=C(C(=O)NCCNC(=O)C2=NC=CC=C2[O-])C=N1	REAL300001290930	1	36	-2.0	-103.04	329.92	1.71	-101.33
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CC(C)(CC(=O)[O-])CC(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300001290932	1	42	-2.0	-102.34	343.20	2.92	-99.42
O=C([O-])C1=CC=C(C(=O)NCCNC(=O)C2=NC=CC=C2[O-])C(F)=C1	REAL300001290933	1	37	-2.0	-100.30	338.56	3.57	-96.73
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CC1=NC(C(=O)NCCNC(=O)C2=NC=CC=C2[O-])=CC=C1C(=O)[O-]	REAL300001290939	1	39	-2.0	-96.40	347.71	2.28	-94.12
O=C([O-])C1=CC=C(C(=O)NCCNC(=O)C2=NC=CC=C2[O-])C=C1	REAL300001290940	1	37	-2.0	-101.46	334.03	3.51	-97.95
O=C([O-])[C@@H]1CC[C@H](C(=O)NCCNC(=O)C2=NC=CC=C2[O-])C1	REAL300001290941	1	40	-2.0	-108.36	341.42	3.09	-105.27
O=C([O-])CC1=CC=CC(C(=O)NCCNC(=O)C2=NC=CC=C2[O-])=C1	REAL300001290942	1	40	-2.0	-105.87	356.23	4.25	-101.62
O=C([O-])CC1=C(C(=O)NCCNC(=O)C2=NC=CC=C2[O-])C=CO1	REAL300001290943	1	37	-2.0	-110.80	336.50	2.41	-108.39
CC1=COC(CC(=O)[O-])=C1C(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300001290944	1	40	-2.0	-110.28	363.34	3.03	-107.25
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O=C([O-])C12CC(C(=O)NCCNC(=O)C3=NC=CC=C3[O-])(C1)C2	REAL300001290946	1	38	-2.0	-101.43	337.28	3.07	-98.36
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CC(C)(CC(=O)[O-])CC(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300001290951	1	42	-2.0	-102.34	343.20	2.92	-99.42
CC(CC(=O)[O-])CC(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300001290952	1	39	-2.0	-104.99	333.45	2.54	-102.45
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O=C([O-])C1=CC(C(=O)NCCNC(=O)C2=NC=CC=C2[O-])=NO1	REAL300001290955	1	33	-2.0	-94.35	314.91	1.05	-93.30
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O=C([O-])C1=CC=C2CCCC(CC(=O)NCCNC(=O)C3=NC=CC=C3[O-])C2=C1	REAL300001290957	1	50	-2.0	-108.92	412.95	6.39	-102.53
CC1=C(C(=O)NCCNC(=O)C2=NC=CC=C2[O-])C=C(C(=O)[O-])O1	REAL300001290958	1	37	-2.0	-103.18	337.18	2.64	-100.54
CC1=C(C(=O)[O-])OC(C(=O)NCCNC(=O)C2=NC=CC=C2[O-])=C1	REAL300001290959	1	37	-2.0	-102.26	338.39	2.47	-99.79
O=C([O-])C1=CN(CC(=O)NCCNC(=O)C2=NC=CC=C2[O-])N=C1	REAL300001290960	1	37	-2.0	-110.35	340.79	1.64	-108.71
O=C([O-])C=CC1=CC=C(C(=O)NCCNC(=O)C2=NC=CC=C2[O-])O1	REAL300001290961	1	38	-2.0	-105.87	353.59	3.08	-102.79
O=C([O-])C1(C(=O)NCCNC(=O)C2=NC=CC=C2[O-])CC2(CCC2)C1	REAL300001290962	1	44	-2.0	-103.87	365.17	4.20	-99.67
O=C([O-])COC1=CC=C(C(=O)NCCNC(=O)C2=NC=CC=C2[O-])C=C1	REAL300001290963	1	41	-2.0	-100.80	365.04	3.77	-97.03
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)NCCNC(=O)C2=NC=CC=C2[O-])C1	REAL300001290964	1	46	-2.0	-111.18	402.16	4.04	-107.14
O=C([O-])CSCCC(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300001290965	1	37	-2.0	-100.41	343.87	2.68	-97.73
O=C([O-])C1=CC=C(C(=O)NCCNC(=O)C2=NC=CC=C2[O-])N=C1	REAL300001290966	1	36	-2.0	-97.30	331.45	1.76	-95.54
CN1N=C(C(=O)[O-])C=C1C(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300001290967	1	37	-2.0	-105.89	336.48	1.15	-104.74
C[C@@H]1C[C@H](C(=O)NCCNC(=O)C2=NC=CC=C2[O-])O[C@H]1C(=O)[O-]	REAL300001290968	1	41	-2.0	-108.48	356.41	3.00	-105.48
CC(C)(CCC(=O)[O-])C(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300001290969	1	42	-2.0	-106.56	352.01	3.05	-103.51
O=C([O-])CC1=CC=C(C(=O)NCCNC(=O)C2=NC=CC=C2[O-])C=C1	REAL300001290970	1	40	-2.0	-101.36	356.22	4.26	-97.10
O=C([O-])C=CC1=CC=C(C(=O)NCCNC(=O)C2=NC=CC=C2[O-])C=C1	REAL300001290971	1	41	-2.0	-102.60	366.12	4.78	-97.82
O=C([O-])C1=COC(C=CC(=O)NCCNC(=O)C2=NC=CC=C2[O-])=C1	REAL300001290972	1	38	-2.0	-101.58	353.11	2.93	-98.65
O=C([O-])CCC1=CC=CC=C1C(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300001290973	1	43	-2.0	-114.40	369.40	5.02	-109.38
O=C([O-])C1=C(COCC(=O)NCCNC(=O)C2=NC=CC=C2[O-])OC=N1	REAL300001290974	1	40	-2.0	-116.51	366.82	-0.76	-117.27
O=C([O-])C1=CC=C(C=CC(=O)NCCNC(=O)C2=NC=CC=C2[O-])O1	REAL300001290975	1	38	-2.0	-104.01	354.64	3.31	-100.70
O=C([O-])[C@@H]1CC[C@H](C(=O)NCCNC(=O)C2=NC=CC=C2[O-])C1	REAL300001290976	1	40	-2.0	-108.36	341.42	3.09	-105.27
CC1=CC=C(C(=O)NCCNC(=O)C2=NC=CC=C2[O-])C=C1C(=O)[O-]	REAL300001290977	1	40	-2.0	-108.52	350.02	4.02	-104.50
O=C([O-])C1=CN=CC(C(=O)NCCNC(=O)C2=NC=CC=C2[O-])=C1	REAL300001290978	1	36	-2.0	-101.78	329.20	1.69	-100.09
CC1=NC=C(C(=O)[O-])C=C1C(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300001290979	1	39	-2.0	-100.95	345.48	2.35	-98.60
O=C([O-])C1=NN(CC(=O)NCCNC(=O)C2=NC=CC=C2[O-])C=C1	REAL300001290980	1	37	-2.0	-122.86	340.11	1.66	-121.20
O=C([O-])C1=NN(CCCC(=O)NCCNC(=O)C2=NC=CC=C2[O-])C=C1	REAL300001290981	1	43	-2.0	-121.38	383.72	3.03	-118.35
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300001290982	1	37	-2.0	-112.69	321.41	2.34	-110.35
O=C([O-])CC[C@@H]1CC[C@H](C(=O)NCCNC(=O)C2=NC=CC=C2[O-])O1	REAL300001290983	1	44	-2.0	-110.28	377.59	3.43	-106.85
O=C([O-])[C@@H]1CO[C@H](CCC(=O)NCCNC(=O)C2=NC=CC=C2[O-])C1	REAL300001290984	1	44	-2.0	-103.46	376.84	2.29	-101.17
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300001290985	1	37	-2.0	-112.69	321.41	2.34	-110.35
CC1=C(C(=O)NCCNC(=O)C2=NC=CC=C2[O-])OC(C(=O)[O-])=C1	REAL300001290986	1	37	-2.0	-101.99	338.28	2.57	-99.42
O=C([O-])[C@H]1C2C=CC(CC2)[C@H]1C(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300001290987	1	45	-2.0	-113.92	365.51	4.67	-109.25
CC(C)C(C(=O)[O-])C(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300001290988	1	39	-2.0	-104.30	334.90	2.50	-101.80
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300001290989	1	43	-2.0	-112.17	347.42	4.26	-107.91
O=C([O-])C1(C(=O)NCCNC(=O)C2=NC=CC=C2[O-])CC1C1=CC=CC=C1	REAL300001290991	1	44	-2.0	-102.64	373.96	5.32	-97.32
O=C([O-])CC1=C(C(=O)NCCNC(=O)C2=NC=CC=C2[O-])NC2=CC=CC=C21	REAL300001290992	1	44	-2.0	-115.60	386.19	4.20	-111.40
O=C([O-])C1=CN(CC(=O)NCCNC(=O)C2=NC=CC=C2[O-])C2=CC=CC=C12	REAL300001290993	1	44	-2.0	-118.81	392.06	5.61	-113.20
O=C([O-])C1CC12CC(C(=O)NCCNC(=O)C1=NC=CC=C1[O-])C2	REAL300001290994	1	41	-2.0	-104.33	355.11	3.81	-100.52
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CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300001290996	1	43	-2.0	-118.21	365.79	4.26	-113.95
CC1=CC=C(C(=O)[O-])C=C1C(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300001290997	1	40	-2.0	-106.89	350.06	4.17	-102.72
CC1(C(=O)[O-])CC(C(=O)NCCNC(=O)C2=NC=CC=C2[O-])C1	REAL300001290998	1	40	-2.0	-100.66	343.21	2.90	-97.76
O=C([O-])C1=C(C(=O)NCCNC(=O)C2=NC=CC=C2[O-])C=CS1	REAL300001290999	1	34	-2.0	-115.24	321.83	3.43	-111.81
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CC1=C(C(=O)[O-])C=NC=C1C(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300001291001	1	39	-2.0	-99.65	339.71	2.26	-97.39
CCCC(C(=O)[O-])C(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300001291002	1	39	-2.0	-104.35	340.32	2.71	-101.64
CC1=CC(C(=O)[O-])=CC=C1C(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300001291003	1	40	-2.0	-101.52	350.07	4.17	-97.35
O=C([O-])C1=CC=C(C(=O)NCCNC(=O)C2=NC=CC=C2[O-])C(Cl)=C1	REAL300001291004	1	37	-2.0	-99.58	346.52	4.00	-95.58
O=C([O-])C1CC2(C1)CC(C(=O)NCCNC(=O)C1=NC=CC=C1[O-])C2	REAL300001291005	1	44	-2.0	-103.44	374.97	4.34	-99.10
COC1=CC(C(=O)[O-])=NC(C(=O)NCCNC(=O)C2=NC=CC=C2[O-])=C1	REAL300001291006	1	40	-2.0	-106.39	361.89	1.08	-105.31
CN1C(C(=O)[O-])=CC=C1C(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300001291007	1	38	-2.0	-101.08	336.66	2.71	-98.37
O=C([O-])C1(C(=O)NCCNC(=O)C2=NC=CC=C2[O-])CC=CC1	REAL300001291008	1	38	-2.0	-104.46	330.51	3.03	-101.43
O=C([O-])CCC1=CC=C(C(=O)NCCNC(=O)C2=NC=CC=C2[O-])C=C1	REAL300001291009	1	43	-2.0	-100.37	377.62	5.07	-95.30
CC1=NNC(C(=O)NCCNC(=O)C2=NC=CC=C2[O-])=C1C(=O)[O-]	REAL300001291010	1	37	-2.0	-108.78	329.59	1.31	-107.47
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O=C([O-])C1=NC(C(=O)NCCNC(=O)C2=NC=CC=C2[O-])=CS1	REAL300001291013	1	33	-2.0	-103.49	323.71	0.64	-102.85
C[C@]1(C(=O)NCCNC(=O)C2=NC=CC=C2[O-])C[C@H]1C(=O)[O-]	REAL300001291014	1	37	-2.0	-115.65	329.40	2.44	-113.21
CC1=C(C(=O)NCCNC(=O)C2=NC=CC=C2[O-])C=C(C(=O)[O-])S1	REAL300001291015	1	37	-2.0	-104.28	343.30	3.33	-100.95
O=C([O-])C1=CC2=C(S1)SC(C(=O)NCCNC(=O)C1=NC=CC=C1[O-])=C2	REAL300001291016	1	37	-2.0	-99.38	363.85	4.07	-95.31
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)NCCNC(=O)C2=NC=CC=C2[O-])=C1	REAL300001291017	1	41	-2.0	-103.85	371.75	3.17	-100.68
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300001291018	1	40	-2.0	-101.65	361.83	3.90	-97.75
O=C([O-])C1=C2C=C(C(=O)NCCNC(=O)C3=NC=CC=C3[O-])SC2=CC=C1	REAL300001291019	1	40	-2.0	-111.08	369.21	4.77	-106.31
O=C([O-])C1=NC=CC=C1CCC(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300001291020	1	42	-2.0	-114.39	367.60	2.95	-111.44
O=C([O-])C12CC(C(=O)NCCNC(=O)C3=NC=CC=C3[O-])(C1)OC2	REAL300001291021	1	39	-2.0	-98.34	343.90	1.09	-97.25
O=C([O-])C1=CC=C(/C=C/C(=O)NCCNC(=O)C2=NC=CC=C2[O-])C=C1	REAL300001291022	1	41	-2.0	-104.22	368.56	4.69	-99.53
CC1CC1(C(=O)[O-])C(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300001291023	1	37	-2.0	-103.18	324.80	2.66	-100.52
O=C([O-])C1(C(=O)NCCNC(=O)C2=NC=CC=C2[O-])CC2(CCC2)C1	REAL300001291024	1	44	-2.0	-103.87	365.17	4.20	-99.67
CN1N=CC(C(=O)[O-])=C1C(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300001291025	1	37	-2.0	-110.01	340.01	0.91	-109.10
O=C([O-])C1=CSC2=C1NC(C(=O)NCCNC(=O)C1=NC=CC=C1[O-])=C2	REAL300001291026	1	38	-2.0	-106.00	359.21	2.51	-103.49
O=C([O-])C1=CC2=C(C=C(C(=O)NCCNC(=O)C3=NC=CC=C3[O-])N2)S1	REAL300001291027	1	38	-2.0	-101.15	359.40	2.64	-98.51
O=C([O-])C1=COC2=C1NC(C(=O)NCCNC(=O)C1=NC=CC=C1[O-])=C2	REAL300001291028	1	38	-2.0	-104.60	350.56	1.65	-102.95
CC1=C(C(=O)[O-])C=CC=C1C(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300001291029	1	40	-2.0	-105.63	344.20	4.05	-101.58
O=C([O-])C1=CC=C(C=CC(=O)NCCNC(=O)C2=NC=CC=C2[O-])C=N1	REAL300001291030	1	40	-2.0	-106.73	364.33	2.91	-103.82
C=C1CCC1(C(=O)[O-])C(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300001291031	1	38	-2.0	-103.68	334.23	2.97	-100.71
O=C([O-])C1=CSC(C(=O)NCCNC(=O)C2=NC=CC=C2[O-])=C1	REAL300001291032	1	34	-2.0	-104.52	327.26	2.50	-102.02
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300001291033	1	42	-2.0	-118.77	354.44	1.75	-117.02
O=C([O-])C1=C2C=CC=C(C(=O)NCCNC(=O)C3=NC=CC=C3[O-])C2=CC=C1	REAL300001291034	1	43	-2.0	-103.59	370.04	5.56	-98.03
CC(C)[C@]1(C(=O)NCCNC(=O)C2=NC=CC=C2[O-])C[C@H]1C(=O)[O-]	REAL300001291035	1	43	-2.0	-113.40	363.45	3.60	-109.80
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300001291036	1	43	-2.0	-110.92	375.42	4.64	-106.28
O=C([O-])C1=CSC(CC(=O)NCCNC(=O)C2=NC=CC=C2[O-])=C1	REAL300001291037	1	37	-2.0	-110.45	350.25	3.31	-107.14
O=C([O-])C1=CC=C(CC(=O)NCCNC(=O)C2=NC=CC=C2[O-])C=C1F	REAL300001291038	1	40	-2.0	-112.56	363.25	4.19	-108.37
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300001291039	1	40	-2.0	-110.32	339.80	3.28	-107.04
O=C([O-])C1=C2CCCCC2=C(C(=O)NCCNC(=O)C2=NC=CC=C2[O-])S1	REAL300001291040	1	44	-2.0	-102.51	383.04	5.03	-97.48
O=C([O-])C12CCC(C(=O)NCCNC(=O)C3=NC=CC=C3[O-])(CC1)CC2	REAL300001291041	1	47	-2.0	-102.45	377.60	4.40	-98.05
O=C([O-])C1(C(=O)NC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3)=C2)CC1	REAL300001320451	1	39	-2.0	-90.78	367.30	6.06	-84.72
O=C([O-])C1(C(=O)NC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3)=C2)CC1	REAL300001320452	1	39	-2.0	-90.78	367.30	6.06	-84.72
CC(C)(C(=O)[O-])C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2)=C1	REAL300001320453	1	41	-2.0	-124.58	374.24	6.67	-117.91
O=C([O-])CCCC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2)=C1	REAL300001320454	1	41	-2.0	-118.02	380.98	6.15	-111.87
O=C([O-])COCC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2)=C1	REAL300001320455	1	39	-2.0	-122.31	373.11	5.31	-117.00
O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2)=C1	REAL300001320456	1	39	-2.0	-139.09	366.22	6.90	-132.19
CCC(C(=O)[O-])C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2)=C1	REAL300001320457	1	41	-2.0	-99.77	379.12	5.96	-93.81
O=C([O-])[C@@H]1C[C@H]1C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2)=C1	REAL300001320458	1	39	-2.0	-106.43	370.85	6.06	-100.37
COC(C(=O)[O-])C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2)=C1	REAL300001320459	1	39	-2.0	-101.09	369.60	5.17	-95.92
CC(C(=O)[O-])C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2)=C1	REAL300001320460	1	38	-2.0	-122.32	355.32	6.09	-116.23
CN(CC1=NC(=O)C2=C(C=CS2)[N-]1)C(=O)C12CC(C(=O)[O-])(C1)C2	REAL300001327018	0	36	-2.0	-104.83	323.70	5.53	-99.30
CN(CC1=NC(=O)C2=C(C=CS2)[N-]1)C(=O)C12CCC(C(=O)[O-])(CC1)C2	REAL300001327022	0	42	-2.0	-111.03	350.77	6.24	-104.79
CN(CC1=NC(=O)C2=C(C=CS2)[N-]1)C(=O)C12CCC(C(=O)[O-])(CC1)CC2	REAL300001327023	0	45	-2.0	-103.89	359.84	6.55	-97.34
CN(CC1=NC(=O)C2=C(C=CS2)[N-]1)C(=O)C12CC(C(=O)[O-])(C1)CO2	REAL300001327096	0	37	-2.0	-103.02	332.46	3.63	-99.39
CN(CC1=NC(=O)C2=C(C=CS2)[N-]1)C(=O)C12CCC(C(=O)[O-])(CC1)CC2	REAL300001327115	0	45	-2.0	-103.89	359.84	6.55	-97.34
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300001385250	1	38	-2.0	-100.00	350.70	5.21	-94.79
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300001385528	1	38	-2.0	-101.14	350.47	5.43	-95.71
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)O1	REAL300001385963	1	32	-2.0	-86.43	321.74	1.23	-85.20
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300001386211	0	35	-2.0	-99.78	329.01	4.53	-95.25
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)=CS1	REAL300001386545	1	39	-2.0	-106.75	363.58	5.65	-101.10
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300001386764	0	35	-2.0	-93.42	335.72	4.60	-88.82
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300001386769	1	41	-2.0	-101.61	371.97	6.22	-95.39
COC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C([O-])=C1	REAL300001387330	1	32	-2.0	-109.25	296.18	6.23	-103.02
O=C([O-])C1=CC=C(NC(=O)C2=CC=C([O-])C(F)=C2)C=C1Cl	REAL300001387859	1	28	-2.0	-90.36	274.80	5.49	-84.87
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C=C1Cl	REAL300001387871	1	31	-2.0	-100.67	305.14	7.90	-92.77
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C=N1	REAL300001387978	0	34	-2.0	-92.47	330.03	3.57	-88.90
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(C(=O)[O-])C(Cl)=C3)=N2)C=C1	REAL300001388070	0	44	-2.0	-109.05	389.88	8.59	-100.46
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)=N1	REAL300001388162	0	38	-2.0	-106.23	357.10	7.71	-98.52
O=C([O-])C1=CC=C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C=C1Cl	REAL300001388204	0	33	-2.0	-108.90	309.27	7.54	-101.36
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC=C(C(=O)[O-])C(Cl)=C3)=N2)=C1	REAL300001388361	0	38	-2.0	-113.47	354.14	7.34	-106.13
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)=N1	REAL300001388362	0	41	-2.0	-111.59	370.76	8.43	-103.16
O=C([O-])C1=CC=C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C=C1Cl	REAL300001388497	0	28	-2.0	-87.98	290.80	6.04	-81.94
O=C([O-])C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1Cl	REAL300001388608	0	31	-2.0	-101.66	294.14	4.32	-97.34
O=C([O-])C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1Cl	REAL300001388608	1	31	-2.0	-101.70	294.20	4.33	-97.37
O=C([O-])C1=CC=C(NC(=O)C2=CC=C([O-])C(Cl)=C2)C=C1Cl	REAL300001388643	0	28	-2.0	-87.37	284.59	5.98	-81.39
CCOC1=CC(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)=CC(Cl)=C1[O-]	REAL300001388647	1	35	-2.0	-91.38	335.64	7.02	-84.36
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(C(=O)[O-])C(Cl)=C3)=N2)C=C1	REAL300001388656	0	39	-2.0	-109.10	359.16	5.97	-103.13
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)=CO1	REAL300001388680	1	32	-2.0	-96.47	320.89	1.21	-95.26
O=C([O-])C1=CC=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)C=C1Cl	REAL300001388770	0	36	-2.0	-94.81	333.38	9.90	-84.91
O=C([O-])C1=CC=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)C=C1Cl	REAL300001388770	1	36	-2.0	-94.84	333.33	9.92	-84.92
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1Cl	REAL300001388840	0	31	-2.0	-83.48	304.74	4.12	-79.36
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1Cl	REAL300001388840	1	31	-2.0	-83.53	304.67	4.11	-79.42
COCC1=NC=C(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C(=O)[N-]1	REAL300001389168	1	33	-2.0	-87.88	310.91	2.70	-85.18
O=C([O-])C1=CC=C(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C=C1Cl	REAL300001389524	0	28	-2.0	-96.53	299.22	7.94	-88.59
CC1=C(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C(=O)NC(C2=CC=CO2)=N1	REAL300001389827	0	36	-2.0	-93.11	332.49	5.14	-87.97
CC1=C(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300001389827	1	36	-2.0	-93.11	332.49	5.14	-87.97
CC1=C(CCC(=O)NCCC(=O)[O-])C(=O)NC(N2CCOCC2)=N1	REAL300001390240	0	44	-2.0	-100.23	362.79	4.22	-96.01
CC1=C(CCC(=O)NCCC(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300001390240	1	44	-2.0	-100.23	362.79	4.22	-96.01
CC1=CC=CC=C1NS(=O)(=O)C1=CC=C(C)C(C(=O)NCCC(=O)[O-])=C1	REAL300001390277	0	44	-2.0	-96.58	380.27	5.68	-90.90
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)NCCC(=O)[O-])=C1	REAL300001390277	1	44	-2.0	-96.58	380.27	5.68	-90.90
CC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C=C1C	REAL300001390303	0	44	-2.0	-98.30	382.53	5.45	-92.85
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C=C1C	REAL300001390303	1	44	-2.0	-98.30	382.53	5.45	-92.85
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCCC(=O)[O-])=C1	REAL300001390473	0	34	-2.0	-103.19	304.95	2.03	-101.16
CCOC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C=C1	REAL300001390549	0	45	-2.0	-94.84	395.45	4.47	-90.37
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C=C1	REAL300001390549	1	45	-2.0	-94.84	395.45	4.47	-90.37
O=C([O-])CCNC(=O)C1=CC=CC(S(=O)(=O)NC2=CC=C(F)C=C2)=C1	REAL300001390649	0	38	-2.0	-99.25	350.72	4.29	-94.96
O=C([O-])CCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1	REAL300001390649	1	38	-2.0	-99.25	350.72	4.29	-94.96
CC1=CC=C(S(=O)(=O)NC2=CC=CC(C(=O)NCCC(=O)[O-])=C2)C=C1F	REAL300001390674	0	41	-2.0	-99.35	371.02	4.94	-94.41
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NCCC(=O)[O-])=C2)C=C1F	REAL300001390674	1	41	-2.0	-99.35	371.02	4.94	-94.41
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCC(=O)[O-]	REAL300001390690	0	34	-2.0	-104.33	305.02	2.26	-102.07
CC1=CC=C(C2=NNC(=S)N2CC(=O)NCCC(=O)[O-])C=C1	REAL300001390717	0	36	-2.0	-109.02	327.01	7.17	-101.85
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCCC(=O)[O-])C=C1	REAL300001390717	1	36	-2.0	-109.02	327.01	7.17	-101.85
CCOC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C=C1	REAL300001390751	0	45	-2.0	-92.56	395.65	4.45	-88.11
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C=C1	REAL300001390751	1	45	-2.0	-92.56	395.65	4.45	-88.11
O=C([O-])CCNC(=O)C1=CC=C(NS(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300001390753	0	38	-2.0	-90.80	350.51	4.31	-86.49
O=C([O-])CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300001390753	1	38	-2.0	-90.80	350.51	4.31	-86.49
CC1=CC=CC=C1NS(=O)(=O)C1=CC=C(C(=O)NCCC(=O)[O-])C=C1	REAL300001390755	0	41	-2.0	-93.27	364.18	5.01	-88.26
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCCC(=O)[O-])C=C1	REAL300001390755	1	41	-2.0	-93.27	364.18	5.01	-88.26
CC1=CC=CC(NS(=O)(=O)C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)=C1C	REAL300001390759	0	44	-2.0	-94.59	381.18	5.54	-89.05
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)=C1C	REAL300001390759	1	44	-2.0	-94.59	381.18	5.54	-89.05
O=C([O-])CCNC(=O)C1=CC=C(NS(=O)(=O)C2=CC=CC=C2)C=C1	REAL300001390854	0	38	-2.0	-97.07	344.11	4.24	-92.83
O=C([O-])CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300001390854	1	38	-2.0	-97.07	344.11	4.24	-92.83
O=C([O-])CCNC(=O)CC1=CC=C(NS(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300001390855	0	41	-2.0	-103.39	375.34	4.98	-98.41
O=C([O-])CCNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300001390855	1	41	-2.0	-103.39	375.34	4.98	-98.41
O=C([O-])CCNC(=O)C1=CC=CC(NS(=O)(=O)C2=CC=CC=C2)=C1	REAL300001390856	0	38	-2.0	-102.00	344.28	4.23	-97.77
O=C([O-])CCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300001390856	1	38	-2.0	-102.00	344.28	4.23	-97.77
CC1=CC(C(=O)NCCC(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300001390870	0	34	-2.0	-82.52	325.53	2.42	-80.10
CC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C=C1	REAL300001390957	0	41	-2.0	-93.98	365.67	4.92	-89.06
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C=C1	REAL300001390957	1	41	-2.0	-93.98	365.67	4.92	-89.06
O=C([O-])CCNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300001391029	0	40	-2.0	-108.01	370.02	5.19	-102.82
O=C([O-])CCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2)=C1	REAL300001391030	1	38	-2.0	-100.56	361.03	4.75	-95.81
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)NCCC(=O)[O-])=C1	REAL300001391031	0	42	-2.0	-109.11	373.53	3.57	-105.54
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NCCC(=O)[O-])=C2)C=C1	REAL300001391032	1	42	-2.0	-103.95	373.82	3.52	-100.43
O=C([O-])CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C=C1	REAL300001391034	0	40	-2.0	-94.85	372.33	4.91	-89.94
O=C([O-])CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300001391038	0	35	-2.0	-98.54	336.03	3.24	-95.30
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCCC(=O)[O-])O1	REAL300001391049	1	37	-2.0	-88.45	331.45	0.47	-87.98
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NCCC(=O)[O-])=C2)C=C1	REAL300001391117	1	41	-2.0	-105.96	365.70	4.90	-101.06
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)NCCC(=O)[O-])=CC=C2C)C=C1	REAL300001391124	1	44	-2.0	-105.91	381.13	5.68	-100.23
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)=CC=C1F	REAL300001391129	1	41	-2.0	-91.24	370.82	4.94	-86.30
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NCCC(=O)[O-])C=C1	REAL300001391130	1	41	-2.0	-93.60	365.98	5.08	-88.52
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)NCCC(=O)[O-])=CC=C1F	REAL300001391134	0	41	-2.0	-105.10	368.53	5.22	-99.88
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCCC(=O)[O-])C=C1	REAL300001391161	0	42	-2.0	-97.08	373.51	3.58	-93.50
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2)C=C1C(=O)NCCC(=O)[O-]	REAL300001391163	1	41	-2.0	-91.29	366.80	4.97	-86.32
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)NCCC(=O)[O-])=CC=C2C)=C1	REAL300001391164	1	44	-2.0	-106.35	381.13	5.67	-100.68
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)NCCC(=O)[O-])=C2)=C1	REAL300001391166	1	41	-2.0	-106.39	365.70	4.91	-101.48
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)NCCC(=O)[O-])=C2)=C1	REAL300001391167	1	44	-2.0	-97.88	381.79	5.58	-92.30
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NCCC(=O)[O-])=C2)=C1	REAL300001391173	1	44	-2.0	-101.98	381.18	5.67	-96.31
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCCC(=O)[O-])=C1	REAL300001391228	0	38	-2.0	-108.43	339.66	0.26	-108.17
O=C([O-])CCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300001391278	0	35	-2.0	-100.48	336.22	3.25	-97.23
O=C([O-])CCNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300001391279	0	38	-2.0	-108.94	360.87	3.93	-105.01
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C=C1	REAL300001391547	1	42	-2.0	-92.36	373.80	3.52	-88.84
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCCC(=O)[O-]	REAL300001391607	0	31	-2.0	-96.01	289.96	1.43	-94.58
CC1=C(CC(=O)NCCC(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001391617	1	37	-2.0	-109.02	328.59	2.66	-106.36
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCC(=O)[O-]	REAL300001391620	0	37	-2.0	-104.85	326.52	3.04	-101.81
O=C([O-])CCNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300001391730	1	38	-2.0	-93.32	344.27	4.24	-89.08
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)NCCC(=O)[O-])=C1	REAL300001391732	0	44	-2.0	-110.94	378.70	5.96	-104.98
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NCCC(=O)[O-]	REAL300001391967	0	37	-2.0	-107.78	329.44	3.61	-104.17
O=C([O-])CCNC(=O)C1=CC(Br)=C([O-])C(Br)=C1	REAL300001392019	0	24	-2.0	-85.26	263.94	3.56	-81.70
O=C([O-])CCNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300001392118	1	37	-2.0	-89.74	339.31	2.46	-87.28
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCCC(=O)[O-])=N2)=C1	REAL300001392127	0	40	-2.0	-115.59	344.20	5.43	-110.16
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCCC(=O)[O-])=N2)C=C1	REAL300001392128	0	40	-2.0	-114.43	344.13	5.43	-109.00
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCCC(=O)[O-])=N1	REAL300001392149	0	34	-2.0	-111.43	311.67	4.53	-106.90
O=C([O-])CCNC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300001392161	0	31	-2.0	-87.02	305.82	1.68	-85.34
O=C([O-])CCNC(=O)C1=CN=C(I)C([O-])=C1	REAL300001392178	0	23	-2.0	-89.73	245.06	1.40	-88.33
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCCC(=O)[O-])=N2)=C1	REAL300001392204	0	34	-2.0	-118.83	308.69	4.16	-114.67
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCCC(=O)[O-])=N1	REAL300001392205	0	37	-2.0	-117.18	325.20	5.25	-111.93
CC1=C(CC(=O)NCCC(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001392217	1	37	-2.0	-107.52	327.87	2.61	-104.91
O=C([O-])CCNC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300001392260	0	34	-2.0	-118.83	313.84	4.95	-113.88
COC1=CC=C(N2C=C([O-])C(C(=O)NCCC(=O)[O-])=N2)C=C1	REAL300001392268	0	35	-2.0	-114.39	313.42	2.81	-111.58
CC1=C(CCC(=O)NC2=CC=C(C(=O)[O-])C=C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300001392909	1	48	-2.0	-101.14	396.03	6.98	-94.16
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300001393259	1	38	-2.0	-103.48	338.19	4.79	-98.69
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300001393567	1	38	-2.0	-104.74	338.27	5.02	-99.72
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300001393614	1	40	-2.0	-111.83	360.06	9.94	-101.89
O=C([O-])C1=CC=C(NC(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3)C=C2)C=C1	REAL300001393797	1	42	-2.0	-97.82	377.07	7.02	-90.80
O=C([O-])C1=CC=C(NC(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)C=C1	REAL300001393798	1	42	-2.0	-104.51	377.53	7.00	-97.51
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2)O1	REAL300001394063	1	41	-2.0	-88.81	362.85	3.36	-85.45
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2)O1	REAL300001394064	1	32	-2.0	-88.77	309.23	0.83	-87.94
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300001394298	0	42	-2.0	-107.17	372.95	3.04	-104.13
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300001394343	0	35	-2.0	-103.28	316.80	4.12	-99.16
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=CC=C(C(=O)[O-])C=C2)=CS1	REAL300001394710	1	39	-2.0	-106.77	351.00	5.23	-101.54
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300001394934	0	35	-2.0	-96.75	323.21	4.19	-92.56
CC1=C(CC(=O)NC2=CC=C(C(=O)[O-])C=C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001394941	1	41	-2.0	-111.17	360.92	5.37	-105.80
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300001394946	1	41	-2.0	-105.14	359.77	5.80	-99.34
CC1=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300001395012	1	41	-2.0	-91.59	340.43	5.71	-85.88
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3)C=C2)C=C1	REAL300001395110	1	42	-2.0	-97.33	377.26	7.01	-90.32
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300001395695	0	41	-2.0	-109.01	362.68	6.38	-102.63
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C=C1	REAL300001395879	1	31	-2.0	-104.53	292.93	7.49	-97.04
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300001395974	0	34	-2.0	-95.31	317.85	3.15	-92.16
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=NC=C3)C=C2)C=C1	REAL300001396040	0	41	-2.0	-93.97	372.30	5.24	-88.73
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3=CC=C(C(=O)[O-])C=C3)=N2)=C1	REAL300001396055	0	44	-2.0	-113.86	377.43	8.17	-105.69
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(C(=O)[O-])C=C3)=N2)C=C1	REAL300001396056	0	44	-2.0	-112.96	377.37	8.17	-104.79
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300001396126	0	38	-2.0	-110.40	344.84	7.27	-103.13
O=C([O-])C1=CC=C(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C=C1	REAL300001396130	0	35	-2.0	-111.81	323.59	6.32	-105.49
O=C([O-])C1=CC=C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C=C1	REAL300001396154	0	33	-2.0	-112.91	296.74	7.13	-105.78
O=C([O-])C1=CC=C(NC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)C=C1	REAL300001396173	0	35	-2.0	-90.26	339.07	4.43	-85.83
O=C([O-])C1=CC=C(NC(=O)C2=CN=C(I)C([O-])=C2)C=C1	REAL300001396217	0	27	-2.0	-92.24	278.33	4.16	-88.08
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC=C(C(=O)[O-])C=C3)=N2)=C1	REAL300001396274	0	38	-2.0	-117.58	341.93	6.90	-110.68
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300001396275	0	41	-2.0	-115.51	358.29	8.01	-107.50
CC1=C(CC(=O)NC2=CC=C(C(=O)[O-])C=C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001396324	1	41	-2.0	-107.59	361.13	5.37	-102.22
O=C([O-])C1=CC=C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C=C1	REAL300001396360	0	28	-2.0	-90.77	278.61	5.60	-85.17
CCOC1=CC(C(=O)NC2=CC=C(C(=O)[O-])C=C2)=CC(Cl)=C1[O-]	REAL300001396458	1	35	-2.0	-94.29	323.46	6.58	-87.71
O=C([O-])C1=CC=C(NC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])C=C1	REAL300001396462	0	38	-2.0	-116.27	347.07	7.68	-108.59
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(C(=O)[O-])C=C3)=N2)C=C1	REAL300001396469	0	39	-2.0	-112.98	346.65	5.55	-107.43
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=C(C(=O)[O-])C=C2)=CO1	REAL300001396488	1	32	-2.0	-99.49	308.38	0.80	-98.69
O=C([O-])C1=CC=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)C=C1	REAL300001396556	0	36	-2.0	-98.45	321.08	9.49	-88.96
O=C([O-])C1=CC=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)C=C1	REAL300001396556	1	36	-2.0	-98.39	321.13	9.48	-88.91
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300001396611	0	31	-2.0	-85.89	292.21	3.70	-82.19
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300001396611	1	31	-2.0	-85.89	292.14	3.70	-82.19
COCC1=NC=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2)C(=O)[N-]1	REAL300001396864	1	33	-2.0	-90.42	297.90	2.28	-88.14
O=C([O-])C1=CC=C(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C=C1	REAL300001396897	1	36	-2.0	-90.76	311.80	5.17	-85.59
O=C([O-])C1=CC=C(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C=C1	REAL300001397141	0	28	-2.0	-100.18	286.69	7.53	-92.65
CC1=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300001397382	0	36	-2.0	-95.15	320.51	4.73	-90.42
CC1=C(C(=O)[O-])SC(NC(=O)C2=CC(C)=CC=C2[N-]S(C)(=O)=O)=C1	REAL300001398203	1	38	-2.0	-108.14	345.32	4.58	-103.56
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC(C)=C(C(=O)[O-])S1	REAL300001398513	1	38	-2.0	-109.42	345.38	4.79	-104.63
CC1=C(C(=O)[O-])SC(NC(=O)CN2C(=S)[N-]N=C2C2=CC=C(C)C=C2)=C1	REAL300001398561	1	40	-2.0	-116.96	367.78	9.72	-107.24
CC1=C(C(=O)[O-])SC(NC(=O)C2=CC=C(S(=O)(=O)[N-]C(C)(C)C)O2)=C1	REAL300001399002	1	41	-2.0	-91.21	371.11	3.04	-88.17
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC(C)=C(C(=O)[O-])S2)O1	REAL300001399003	1	32	-2.0	-90.71	316.34	0.59	-90.12
CC1=C(C(=O)[O-])SC(NC(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)=C1	REAL300001399275	0	35	-2.0	-107.97	323.92	3.89	-104.08
CC1=C(C(=O)[O-])SC(NC(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)=C1	REAL300001399633	1	39	-2.0	-112.82	358.16	5.01	-107.81
CC1=C(C(=O)[O-])SC(NC(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)=C1	REAL300001399873	0	35	-2.0	-100.94	330.34	3.97	-96.97
CC1=C(C(=O)[O-])SC(NC(=O)CC2=C(C)N=C(C3=CC=CN=C3)[N-]C2=O)=C1	REAL300001399876	1	41	-2.0	-115.18	368.07	5.15	-110.03
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC(C)=C(C(=O)[O-])S1	REAL300001399879	1	41	-2.0	-109.87	366.88	5.58	-104.29
CC1=C(C(=O)[O-])SC(NC(=O)C2=C(C)N=C(C(C)(C)C)[N-]C2=O)=C1	REAL300001399960	1	41	-2.0	-94.75	348.63	5.46	-89.29
COC1=CC=C(C(=O)NC2=CC(C)=C(C(=O)[O-])S2)C([O-])=C1	REAL300001400449	1	32	-2.0	-118.65	290.76	5.58	-113.07
CC1=C(C(=O)[O-])SC(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])=C1	REAL300001401001	1	31	-2.0	-109.76	300.05	7.26	-102.50
CC1=C(C(=O)[O-])SC(NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)=C1	REAL300001401108	0	34	-2.0	-98.05	324.98	2.93	-95.12
CC1=C(C(=O)[O-])SC(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)=C1	REAL300001401141	1	33	-2.0	-94.42	303.14	4.44	-89.98
CC1=C(C(=O)[O-])SC(NC(=O)C2=NN(C3=CC=CC(C(C)C)=C3)C=C2[O-])=C1	REAL300001401200	0	44	-2.0	-118.98	384.56	7.96	-111.02
CC1=C(C(=O)[O-])SC(NC(=O)C2=NN(C3=CC=C(C(C)C)C=C3)C=C2[O-])=C1	REAL300001401201	0	44	-2.0	-117.96	384.49	7.96	-110.00
CC1=C(C(=O)[O-])SC(NC(=O)C2=NN(C3=CC=C(F)C=C3C)C=C2[O-])=C1	REAL300001401291	0	38	-2.0	-115.39	352.06	7.07	-108.32
CC1=C(C(=O)[O-])SC(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])=C1	REAL300001401296	0	35	-2.0	-116.88	330.71	6.11	-110.77
CC1=C(C(=O)[O-])SC(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)=C1	REAL300001401327	0	33	-2.0	-118.36	303.86	6.89	-111.47
CC1=C(C(=O)[O-])SC(NC(=O)C2=NN(C3=CC(C)=CC=C3F)C=C2[O-])=C1	REAL300001401482	0	38	-2.0	-122.79	349.05	6.69	-116.10
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC(C)=C(C(=O)[O-])S2)=N1	REAL300001401483	0	41	-2.0	-120.75	365.55	7.78	-112.97
CC1=C(C(=O)[O-])SC(NC(=O)CC2=C(C)N=C(C3=CC=NC=C3)[N-]C2=O)=C1	REAL300001401553	1	41	-2.0	-113.90	368.26	5.14	-108.76
CC1=C(C(=O)[O-])SC(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)=C1	REAL300001401604	0	28	-2.0	-93.58	285.74	5.38	-88.20
CC1=C(C(=O)[O-])SC(NC(=O)C2=CC=C([O-])C(Cl)=C2)=C1	REAL300001401744	0	28	-2.0	-95.30	279.54	5.31	-89.99
CCOC1=CC(C(=O)NC2=CC(C)=C(C(=O)[O-])S2)=CC(Cl)=C1[O-]	REAL300001401747	1	35	-2.0	-97.06	330.58	6.37	-90.69
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC(C)=C(C(=O)[O-])S3)=N2)C=C1	REAL300001401759	0	39	-2.0	-117.98	353.78	5.34	-112.64
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC(C)=C(C(=O)[O-])S2)=CO1	REAL300001401782	1	32	-2.0	-103.39	315.51	0.58	-102.81
CC1=C(C(=O)[O-])SC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)=C1	REAL300001401870	0	36	-2.0	-102.86	327.98	9.27	-93.59
CC1=C(C(=O)[O-])SC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)=C1	REAL300001401870	1	36	-2.0	-102.86	327.93	9.27	-93.59
CC1=C(C(=O)[O-])SC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300001401938	0	31	-2.0	-88.27	299.33	3.48	-84.79
CC1=C(C(=O)[O-])SC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300001401938	1	31	-2.0	-88.32	299.26	3.47	-84.85
COCC1=NC=C(C(=O)NC2=CC(C)=C(C(=O)[O-])S2)C(=O)[N-]1	REAL300001402259	1	33	-2.0	-93.81	305.26	2.05	-91.76
CC1=C(C(=O)[O-])SC(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)=C1	REAL300001402303	1	36	-2.0	-94.06	319.17	4.94	-89.12
CC1=C(C(=O)[O-])SC(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=C1	REAL300001402602	0	28	-2.0	-105.40	294.12	7.30	-98.10
CC1=C(C(=O)[O-])SC(NC(=O)C2=C(C)N=C(C3=CC=CO3)[N-]C2=O)=C1	REAL300001402905	0	36	-2.0	-98.29	328.28	4.48	-93.81
CC1=C(CCC(=O)NC2=CC=C(C(=O)[O-])C=C2)C(=O)NC(N2CCOCC2)=N1	REAL300001403493	0	48	-2.0	-101.14	396.03	6.98	-94.16
CC1=C(CCC(=O)NC2=CC=C(C(=O)[O-])C=C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300001403493	1	48	-2.0	-101.14	396.03	6.98	-94.16
CC1=CC=C(NS(C)(=O)=O)C(C(=O)NC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300001403843	0	38	-2.0	-103.48	338.19	4.79	-98.69
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300001403843	1	38	-2.0	-103.48	338.19	4.79	-98.69
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300001404151	1	38	-2.0	-104.74	338.27	5.02	-99.72
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300001404198	1	40	-2.0	-111.83	360.06	9.94	-101.89
O=C([O-])C1=CC=C(NC(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3)C=C2)C=C1	REAL300001404381	1	42	-2.0	-97.82	377.07	7.02	-90.80
O=C([O-])C1=CC=C(NC(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)C=C1	REAL300001404382	1	42	-2.0	-104.51	377.53	7.00	-97.51
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2)O1	REAL300001404647	1	41	-2.0	-88.81	362.85	3.36	-85.45
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2)O1	REAL300001404648	1	32	-2.0	-88.77	309.23	0.83	-87.94
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300001404882	0	42	-2.0	-107.17	372.95	3.04	-104.13
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300001404927	0	35	-2.0	-103.28	316.80	4.12	-99.16
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=CC=C(C(=O)[O-])C=C2)=CS1	REAL300001405294	1	39	-2.0	-106.77	351.00	5.23	-101.54
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300001405518	0	35	-2.0	-96.75	323.21	4.19	-92.56
CC1=C(CC(=O)NC2=CC=C(C(=O)[O-])C=C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001405525	1	41	-2.0	-111.17	360.92	5.37	-105.80
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300001405530	1	41	-2.0	-105.14	359.77	5.80	-99.34
CC1=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300001405596	1	41	-2.0	-91.59	340.43	5.71	-85.88
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3)C=C2)C=C1	REAL300001405694	1	42	-2.0	-97.33	377.26	7.01	-90.32
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300001406279	0	41	-2.0	-109.01	362.68	6.38	-102.63
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C=C1	REAL300001406463	1	31	-2.0	-104.53	292.93	7.49	-97.04
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300001406558	0	34	-2.0	-95.31	317.85	3.15	-92.16
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=NC=C3)C=C2)C=C1	REAL300001406624	0	41	-2.0	-93.97	372.30	5.24	-88.73
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3=CC=C(C(=O)[O-])C=C3)=N2)=C1	REAL300001406639	0	44	-2.0	-113.86	377.43	8.17	-105.69
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(C(=O)[O-])C=C3)=N2)C=C1	REAL300001406640	0	44	-2.0	-112.96	377.37	8.17	-104.79
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300001406710	0	38	-2.0	-110.40	344.84	7.27	-103.13
O=C([O-])C1=CC=C(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C=C1	REAL300001406714	0	35	-2.0	-111.81	323.59	6.32	-105.49
O=C([O-])C1=CC=C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C=C1	REAL300001406738	0	33	-2.0	-112.91	296.74	7.13	-105.78
O=C([O-])C1=CC=C(NC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)C=C1	REAL300001406757	0	35	-2.0	-90.26	339.07	4.43	-85.83
O=C([O-])C1=CC=C(NC(=O)C2=CN=C(I)C([O-])=C2)C=C1	REAL300001406801	0	27	-2.0	-92.24	278.33	4.16	-88.08
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC=C(C(=O)[O-])C=C3)=N2)=C1	REAL300001406858	0	38	-2.0	-117.58	341.93	6.90	-110.68
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300001406859	0	41	-2.0	-115.51	358.29	8.01	-107.50
CC1=C(CC(=O)NC2=CC=C(C(=O)[O-])C=C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001406908	1	41	-2.0	-107.59	361.13	5.37	-102.22
O=C([O-])C1=CC=C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C=C1	REAL300001406944	0	28	-2.0	-90.77	278.61	5.60	-85.17
CCOC1=CC(C(=O)NC2=CC=C(C(=O)[O-])C=C2)=CC(Cl)=C1[O-]	REAL300001407042	1	35	-2.0	-94.29	323.46	6.58	-87.71
O=C([O-])C1=CC=C(NC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])C=C1	REAL300001407046	0	38	-2.0	-116.27	347.07	7.68	-108.59
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(C(=O)[O-])C=C3)=N2)C=C1	REAL300001407053	0	39	-2.0	-112.98	346.65	5.55	-107.43
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=C(C(=O)[O-])C=C2)=CO1	REAL300001407072	1	32	-2.0	-99.49	308.38	0.80	-98.69
O=C([O-])C1=CC=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)C=C1	REAL300001407140	0	36	-2.0	-98.45	321.08	9.49	-88.96
O=C([O-])C1=CC=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)C=C1	REAL300001407140	1	36	-2.0	-98.39	321.13	9.48	-88.91
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300001407195	0	31	-2.0	-85.89	292.21	3.70	-82.19
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300001407195	1	31	-2.0	-85.89	292.14	3.70	-82.19
COCC1=NC=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2)C(=O)[N-]1	REAL300001407448	1	33	-2.0	-90.42	297.90	2.28	-88.14
O=C([O-])C1=CC=C(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C=C1	REAL300001407481	1	36	-2.0	-90.76	311.80	5.17	-85.59
O=C([O-])C1=CC=C(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C=C1	REAL300001407725	0	28	-2.0	-100.18	286.69	7.53	-92.65
CC1=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300001407966	0	36	-2.0	-95.15	320.51	4.73	-90.42
CC1=C(CCC(=O)N2CCCCC2C(=O)[O-])C(=O)NC(N2CCOCC2)=N1	REAL300001408363	0	51	-2.0	-124.75	394.37	8.33	-116.42
CC1=C(CCC(=O)N2CCCCC2C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300001408363	1	51	-2.0	-124.75	394.37	8.33	-116.42
CC1=CC=C(C2=NNC(=S)N2CC(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300001408892	0	43	-2.0	-136.97	358.73	11.12	-125.85
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300001408892	1	43	-2.0	-136.97	358.73	11.12	-125.85
O=C([O-])C1CCCCN1C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300001409039	1	45	-2.0	-116.19	373.24	8.01	-108.18
O=C([O-])C1CCCCN1C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300001409040	1	45	-2.0	-117.83	378.48	8.22	-109.61
CC1=CC(C(=O)N2CCCCC2C(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300001409051	0	41	-2.0	-101.70	360.82	6.38	-95.32
O=C([O-])C1CCCCN1C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300001409235	0	42	-2.0	-114.57	365.15	7.02	-107.55
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCCC2C(=O)[O-])O1	REAL300001409252	1	44	-2.0	-102.75	359.19	4.64	-98.11
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCCC2C(=O)[O-])O1	REAL300001409253	1	35	-2.0	-101.29	304.42	2.20	-99.09
O=C([O-])C1CCCCN1C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300001409481	0	42	-2.0	-116.07	370.24	7.20	-108.87
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCCCC2C(=O)[O-])=CS1	REAL300001409735	1	42	-2.0	-130.72	349.41	6.54	-124.18
CC1=C(CC(=O)N2CCCCC2C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001409907	1	44	-2.0	-138.36	359.20	6.79	-131.57
O=C([O-])C1CCCCN1C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300001410036	1	45	-2.0	-110.33	374.79	8.09	-102.24
O=C([O-])C1CCCCN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300001410568	1	34	-2.0	-139.01	289.16	7.87	-131.14
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCCCC2C(=O)[O-])C=N1	REAL300001410634	0	37	-2.0	-112.43	313.69	4.06	-108.37
O=C([O-])C1CCCCN1C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300001410679	1	44	-2.0	-106.89	369.85	6.32	-100.57
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCCCC3C(=O)[O-])=N2)=C1	REAL300001410693	0	47	-2.0	-150.34	372.59	9.71	-140.63
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCCCC3C(=O)[O-])=N2)C=C1	REAL300001410694	0	47	-2.0	-149.58	372.53	9.78	-139.80
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCCCC2C(=O)[O-])=N1	REAL300001410741	0	41	-2.0	-142.46	340.65	8.11	-134.35
O=C([O-])C1CCCCN1C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300001410745	0	38	-2.0	-148.03	318.80	7.86	-140.17
O=C([O-])C1CCCCN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300001410760	1	36	-2.0	-150.10	294.13	8.06	-142.04
O=C([O-])C1CCCCN1C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300001410776	0	38	-2.0	-101.67	339.84	5.63	-96.04
O=C([O-])C1CCCCN1C(=O)C1=CN=C(I)C([O-])=C1	REAL300001410806	0	30	-2.0	-111.50	275.03	5.09	-106.41
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCCCC3C(=O)[O-])=N2)=C1	REAL300001410838	0	41	-2.0	-154.96	337.14	8.45	-146.51
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCCCC2C(=O)[O-])=N1	REAL300001410839	0	44	-2.0	-147.84	355.90	8.70	-139.14
CC1=C(CC(=O)N2CCCCC2C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001410864	1	44	-2.0	-136.70	359.38	6.80	-129.90
O=C([O-])C1CCCCN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300001410889	0	31	-2.0	-107.63	275.42	6.63	-101.00
CCOC1=CC(C(=O)N2CCCCC2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300001410947	1	38	-2.0	-113.07	324.29	7.79	-105.28
O=C([O-])C1CCCCN1C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300001410950	0	41	-2.0	-152.15	331.44	8.50	-143.65
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCCCC3C(=O)[O-])=N2)C=C1	REAL300001410954	0	42	-2.0	-149.08	341.85	7.07	-142.01
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCCCC2C(=O)[O-])=CO1	REAL300001410964	1	35	-2.0	-115.79	304.41	2.05	-113.74
O=C([O-])C1CCCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300001411058	0	34	-2.0	-98.37	287.72	5.24	-93.13
O=C([O-])C1CCCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300001411058	1	34	-2.0	-98.33	287.79	5.25	-93.08
O=C([O-])C1CCCCN1C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300001411257	1	39	-2.0	-131.56	316.98	5.83	-125.73
O=C([O-])C1CCCCN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300001411410	0	31	-2.0	-133.30	283.28	7.89	-125.41
CC1=C(CCC(=O)N2CCCCC2C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300001435612	1	51	-2.0	-124.75	394.37	8.33	-116.42
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300001436141	1	43	-2.0	-136.97	358.73	11.12	-125.85
O=C([O-])C1CCCCN1C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300001436288	1	45	-2.0	-116.19	373.24	8.01	-108.18
O=C([O-])C1CCCCN1C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300001436289	1	45	-2.0	-117.83	378.48	8.22	-109.61
CC1=CC(C(=O)N2CCCCC2C(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300001436300	0	41	-2.0	-101.70	360.82	6.38	-95.32
O=C([O-])C1CCCCN1C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300001436484	0	42	-2.0	-114.57	365.15	7.02	-107.55
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCCC2C(=O)[O-])O1	REAL300001436501	1	44	-2.0	-102.75	359.19	4.64	-98.11
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCCC2C(=O)[O-])O1	REAL300001436502	1	35	-2.0	-101.29	304.42	2.20	-99.09
O=C([O-])C1CCCCN1C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300001436730	0	42	-2.0	-116.07	370.24	7.20	-108.87
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCCCC2C(=O)[O-])=CS1	REAL300001436984	1	42	-2.0	-130.72	349.41	6.54	-124.18
CC1=C(CC(=O)N2CCCCC2C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001437156	1	44	-2.0	-138.36	359.20	6.79	-131.57
O=C([O-])C1CCCCN1C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300001437285	1	45	-2.0	-110.33	374.79	8.09	-102.24
O=C([O-])C1CCCCN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300001437817	1	34	-2.0	-139.01	289.16	7.87	-131.14
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCCCC2C(=O)[O-])C=N1	REAL300001437883	0	37	-2.0	-112.43	313.69	4.06	-108.37
O=C([O-])C1CCCCN1C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300001437928	1	44	-2.0	-106.89	369.85	6.32	-100.57
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCCCC3C(=O)[O-])=N2)=C1	REAL300001437942	0	47	-2.0	-150.34	372.59	9.71	-140.63
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCCCC3C(=O)[O-])=N2)C=C1	REAL300001437943	0	47	-2.0	-149.58	372.53	9.78	-139.80
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCCCC2C(=O)[O-])=N1	REAL300001437990	0	41	-2.0	-142.46	340.65	8.11	-134.35
O=C([O-])C1CCCCN1C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300001437994	0	38	-2.0	-148.03	318.80	7.86	-140.17
O=C([O-])C1CCCCN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300001438009	1	36	-2.0	-150.10	294.13	8.06	-142.04
O=C([O-])C1CCCCN1C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300001438025	0	38	-2.0	-101.67	339.84	5.63	-96.04
O=C([O-])C1CCCCN1C(=O)C1=CN=C(I)C([O-])=C1	REAL300001438055	0	30	-2.0	-111.50	275.03	5.09	-106.41
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCCCC3C(=O)[O-])=N2)=C1	REAL300001438087	0	41	-2.0	-154.96	337.14	8.45	-146.51
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCCCC2C(=O)[O-])=N1	REAL300001438088	0	44	-2.0	-147.84	355.90	8.70	-139.14
CC1=C(CC(=O)N2CCCCC2C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001438113	1	44	-2.0	-136.70	359.38	6.80	-129.90
O=C([O-])C1CCCCN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300001438138	0	31	-2.0	-107.63	275.42	6.63	-101.00
CCOC1=CC(C(=O)N2CCCCC2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300001438196	1	38	-2.0	-113.07	324.29	7.79	-105.28
O=C([O-])C1CCCCN1C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300001438199	0	41	-2.0	-152.15	331.44	8.50	-143.65
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCCCC3C(=O)[O-])=N2)C=C1	REAL300001438203	0	42	-2.0	-149.08	341.85	7.07	-142.01
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCCCC2C(=O)[O-])=CO1	REAL300001438213	1	35	-2.0	-115.79	304.41	2.05	-113.74
O=C([O-])C1CCCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300001438307	0	34	-2.0	-98.37	287.72	5.24	-93.13
O=C([O-])C1CCCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300001438307	1	34	-2.0	-98.33	287.79	5.25	-93.08
O=C([O-])C1CCCCN1C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300001438506	1	39	-2.0	-131.56	316.98	5.83	-125.73
O=C([O-])C1CCCCN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300001438659	0	31	-2.0	-133.30	283.28	7.89	-125.41
CC1=C(CCC(=O)NC(C)(C)C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300001439097	1	47	-2.0	-96.29	374.03	4.89	-91.40
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC(C)(C)C(=O)[O-])C=C2)C=C1C	REAL300001439144	1	47	-2.0	-98.40	393.76	6.11	-92.29
CC(C)(NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1)C(=O)[O-]	REAL300001439442	1	41	-2.0	-88.59	361.95	4.94	-83.65
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NC(C)(C)C(=O)[O-])=C2)C=C1F	REAL300001439459	1	44	-2.0	-93.02	382.25	5.59	-87.43
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300001439501	1	39	-2.0	-100.07	338.23	7.83	-92.24
CC(C)(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300001439542	1	41	-2.0	-90.37	361.73	4.97	-85.40
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300001439544	1	44	-2.0	-88.50	375.40	5.66	-82.84
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NC(C)(C)C(=O)[O-])C=C2)=C1C	REAL300001439547	1	47	-2.0	-89.85	392.42	6.19	-83.66
CC(C)(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300001439632	1	41	-2.0	-97.11	355.34	4.90	-92.21
CC(C)(NC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300001439633	1	44	-2.0	-93.23	386.59	5.63	-87.60
CC(C)(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300001439634	1	41	-2.0	-95.81	355.51	4.89	-90.92
CC1=CC(C(=O)NC(C)(C)C(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300001439645	0	37	-2.0	-81.09	336.76	3.08	-78.01
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NC(C)(C)C(=O)[O-])C=C2)C=C1	REAL300001439727	1	44	-2.0	-89.23	376.90	5.57	-83.66
CC(C)(NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2)=C1)C(=O)[O-]	REAL300001439788	1	41	-2.0	-90.03	372.25	5.39	-84.64
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)NC(C)(C)C(=O)[O-])=C1	REAL300001439789	0	45	-2.0	-98.53	384.76	4.22	-94.31
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NC(C)(C)C(=O)[O-])=C2)C=C1	REAL300001439790	1	45	-2.0	-93.30	385.05	4.17	-89.13
CC(C)(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300001439795	0	38	-2.0	-92.84	347.26	3.90	-88.94
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C)(C)C(=O)[O-])O1	REAL300001439808	1	40	-2.0	-91.71	340.84	1.24	-90.47
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NC(C)(C)C(=O)[O-])=C2)C=C1	REAL300001439873	1	44	-2.0	-95.28	376.93	5.55	-89.73
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)NC(C)(C)C(=O)[O-])=CC=C2C)C=C1	REAL300001439878	1	47	-2.0	-95.39	392.36	6.32	-89.07
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NC(C)(C)C(=O)[O-])C=C2)=CC=C1F	REAL300001439882	1	44	-2.0	-90.73	382.05	5.60	-85.13
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300001439883	1	44	-2.0	-87.82	377.21	5.74	-82.08
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300001439901	0	45	-2.0	-92.47	384.74	4.23	-88.24
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2)C=C1C(=O)NC(C)(C)C(=O)[O-]	REAL300001439902	1	44	-2.0	-97.28	378.03	5.63	-91.65
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)NC(C)(C)C(=O)[O-])=CC=C2C)=C1	REAL300001439903	1	47	-2.0	-95.80	392.36	6.32	-89.48
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)NC(C)(C)C(=O)[O-])=C2)=C1	REAL300001439904	1	44	-2.0	-95.71	376.92	5.56	-90.15
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)NC(C)(C)C(=O)[O-])=C2)=C1	REAL300001439905	1	47	-2.0	-105.06	392.98	6.25	-98.81
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NC(C)(C)C(=O)[O-])=C2)=C1	REAL300001439908	1	47	-2.0	-95.93	392.41	6.32	-89.61
CC(C)(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C(=O)[O-]	REAL300001439986	0	38	-2.0	-94.04	347.45	3.89	-90.15
CC(C)(NC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300001439987	0	41	-2.0	-98.71	372.11	4.58	-94.13
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(C)(C)C(=O)[O-])=CS1	REAL300001440173	1	38	-2.0	-93.32	328.98	3.12	-90.20
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NC(C)(C)C(=O)[O-])C=C2)C=C1	REAL300001440228	1	45	-2.0	-87.52	385.02	4.17	-83.35
CC1=C(CC(=O)NC(C)(C)C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001440296	1	40	-2.0	-101.40	339.84	3.32	-98.08
CC(C)(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300001440408	1	41	-2.0	-88.53	355.50	4.89	-83.64
CC(C)(NC(=O)C1=CC(Br)=C([O-])C(Br)=C1)C(=O)[O-]	REAL300001440694	0	27	-2.0	-82.00	275.17	4.21	-77.79
CC(C)(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300001440764	0	33	-2.0	-94.08	295.83	1.05	-93.03
CC(C)(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300001440798	1	40	-2.0	-84.71	350.54	3.11	-81.60
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC(C)(C)C(=O)[O-])=N2)=C1	REAL300001440810	0	43	-2.0	-113.73	355.43	6.08	-107.65
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(C)(C)C(=O)[O-])=N2)C=C1	REAL300001440811	0	43	-2.0	-111.53	355.36	6.08	-105.45
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(C)(C)C(=O)[O-])=N1	REAL300001440833	0	37	-2.0	-107.66	322.89	5.18	-102.48
CC(C)(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300001440836	0	34	-2.0	-108.00	301.58	4.23	-103.77
CC(C)(NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300001440852	0	34	-2.0	-79.88	317.06	2.31	-77.57
CC(C)(NC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300001440869	0	26	-2.0	-84.07	256.30	2.06	-82.01
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(C)(C)C(=O)[O-])=N2)=C1	REAL300001440889	0	37	-2.0	-115.45	319.91	4.82	-110.63
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(C)(C)C(=O)[O-])=N1	REAL300001440890	0	40	-2.0	-114.13	336.43	5.90	-108.23
CC1=C(CC(=O)NC(C)(C)C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001440898	1	40	-2.0	-99.85	339.11	3.27	-96.58
CCOC1=CC(C(=O)NC(C)(C)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300001440939	1	34	-2.0	-90.10	301.44	4.47	-85.63
CC(C)(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300001440942	0	37	-2.0	-118.81	325.06	5.60	-113.21
COC1=CC=C(N2C=C([O-])C(C(=O)NC(C)(C)C(=O)[O-])=N2)C=C1	REAL300001440947	0	38	-2.0	-111.36	324.65	3.47	-107.89
O=C([O-])CC(NC(=O)C1=CC=C([O-])C(F)=C1)C1=CC=C(OC(F)(F)F)C=C1	REAL300001442074	1	38	-2.0	-91.98	346.56	5.70	-86.28
O=C([O-])CC(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(OC(F)(F)F)C=C1	REAL300001442113	0	38	-2.0	-89.90	343.99	3.75	-86.15
O=C([O-])CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(OC(F)(F)F)C=C1	REAL300001442113	1	38	-2.0	-89.87	344.04	3.76	-86.11
O=C([O-])CC(NC(=O)C1=CN=CC([O-])=C1)C1=CC=C(OC(F)(F)F)C=C1	REAL300001442163	1	37	-2.0	-96.01	335.39	3.81	-92.20
O=C([O-])CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(OC(F)(F)F)C=C1	REAL300001442341	0	41	-2.0	-100.05	365.48	4.53	-95.52
O=C([O-])CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(OC(F)(F)F)C=C1	REAL300001442341	1	41	-2.0	-100.08	365.54	4.54	-95.54
O=C([O-])CC(NC(=O)C1=C[N-]N=CC1=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300001442491	0	36	-2.0	-97.72	334.53	5.07	-92.65
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC(=O)[O-])C2=CC=CC(OC)=C2)O1	REAL300001443718	1	42	-2.0	-101.05	383.50	1.77	-99.28
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C2=CC=C([O-])C(F)=C2)=C1	REAL300001445106	1	38	-2.0	-103.48	337.15	5.92	-97.56
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])=C1	REAL300001445118	1	41	-2.0	-120.10	360.34	7.73	-112.37
COC1=CC=CC(C(CC(=O)[O-])NC(=O)CCC2=N[N-]N=N2)=C1	REAL300001445159	0	38	-2.0	-99.72	327.44	3.26	-96.46
COC1=CC=CC(C(CC(=O)[O-])NC(=O)CCC2=NN=N[N-]2)=C1	REAL300001445159	1	38	-2.0	-99.71	327.50	3.28	-96.43
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)=C1	REAL300001445221	0	44	-2.0	-104.22	385.31	3.30	-100.92
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C2=CN=C(C3CC3)[N-]C2=O)=C1	REAL300001445243	1	43	-2.0	-106.25	363.08	4.75	-101.50
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C2=CN=CC([O-])=C2)=C1	REAL300001445275	1	37	-2.0	-106.50	318.95	3.33	-103.17
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])=C1	REAL300001445357	0	45	-2.0	-129.50	398.14	7.20	-122.30
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)=C1	REAL300001445388	1	43	-2.0	-132.27	364.14	7.36	-124.91
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)=C1	REAL300001445625	0	38	-2.0	-99.49	353.00	6.59	-92.90
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C2=C(OC)C(=O)[N-]C(=O)N2)=C1	REAL300001445638	1	41	-2.0	-101.50	359.22	1.54	-99.96
COC1=CC=CC(C(CC(=O)[O-])NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300001445713	0	41	-2.0	-110.74	348.94	4.04	-106.70
COC1=CC=CC(C(CC(=O)[O-])NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300001445713	1	41	-2.0	-110.76	349.00	4.06	-106.70
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C2=CC=C([O-])C(Cl)=C2)=C1	REAL300001445743	0	38	-2.0	-100.98	346.95	6.41	-94.57
CCOC1=CC(C(=O)NC(CC(=O)[O-])C2=CC=CC(OC)=C2)=CC(Cl)=C1[O-]	REAL300001445747	1	45	-2.0	-105.08	397.85	7.56	-97.52
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CC(=O)[O-])C2=CC=CC(OC)=C2)=CO1	REAL300001445768	1	42	-2.0	-107.23	375.97	0.99	-106.24
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300001445902	0	41	-2.0	-92.64	359.54	3.84	-88.80
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300001445902	1	41	-2.0	-92.64	359.61	3.84	-88.80
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C2=C[N-]N=CC2=O)=C1	REAL300001446121	0	36	-2.0	-97.70	311.26	3.79	-93.91
COCC1=NC=C(C(=O)NC(CC(=O)[O-])C2=CC=CC(OC)=C2)C(=O)[N-]1	REAL300001446144	1	43	-2.0	-116.88	364.18	3.54	-113.34
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)=C1	REAL300001446186	1	46	-2.0	-106.43	378.84	5.30	-101.13
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=C1	REAL300001446413	0	38	-2.0	-115.38	354.60	7.80	-107.58
CC1=C(CCC(=O)N(CCC(=O)[O-])CC(C)C)C(=O)[N-]C(N2CCOCC2)=N1	REAL300001447155	1	56	-2.0	-102.30	435.39	8.48	-93.82
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N(CCC(=O)[O-])CC(C)C)C=C1	REAL300001447706	1	48	-2.0	-113.24	398.34	11.36	-101.88
CC(C)CN(CCC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300001448068	1	49	-2.0	-114.94	403.85	4.95	-109.99
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(CCC(=O)[O-])CC(C)C)O1	REAL300001448069	1	40	-2.0	-88.03	345.02	2.47	-85.56
CC(C)CN(CCC(=O)[O-])C(=O)CC1=CSC([N-]C(=O)C(C)C)=N1	REAL300001448567	1	47	-2.0	-108.68	392.09	6.78	-101.90
CC1=C(CC(=O)N(CCC(=O)[O-])CC(C)C)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001448759	1	49	-2.0	-115.44	400.69	6.90	-108.54
CC(C)CN(CCC(=O)[O-])C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300001449548	1	39	-2.0	-97.16	329.31	8.35	-88.81
CC(C)CN(CCC(=O)[O-])C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300001449625	0	42	-2.0	-111.23	355.28	4.22	-107.01
CC(C)CN(CCC(=O)[O-])C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300001449643	1	41	-2.0	-105.43	342.48	5.65	-99.78
CC(C)CN(CCC(=O)[O-])C(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-]	REAL300001449691	0	52	-2.0	-123.26	413.57	10.10	-113.16
CC(C)CN(CCC(=O)[O-])C(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-]	REAL300001449692	0	52	-2.0	-118.61	414.00	10.10	-108.51
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(CCC(=O)[O-])CC(C)C)=N1	REAL300001449745	0	46	-2.0	-118.52	379.99	8.83	-109.69
CC(C)CN(CCC(=O)[O-])C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300001449750	0	43	-2.0	-111.28	360.05	8.23	-103.05
CC(C)CN(CCC(=O)[O-])C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300001449770	1	41	-2.0	-113.61	334.74	9.75	-103.86
CC(C)CN(CCC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300001449788	0	43	-2.0	-85.20	374.46	5.54	-79.66
CC(C)CN(CCC(=O)[O-])C(=O)C1=CN=C(I)C([O-])=C1	REAL300001449828	0	35	-2.0	-93.17	315.74	5.22	-87.95
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N(CCC(=O)[O-])CC(C)C)=N2)=C1	REAL300001449878	0	46	-2.0	-120.80	375.89	8.80	-112.00
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(CCC(=O)[O-])CC(C)C)=N1	REAL300001449879	0	49	-2.0	-122.49	397.39	9.47	-113.02
CC1=C(CC(=O)N(CCC(=O)[O-])CC(C)C)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001449921	1	49	-2.0	-103.64	402.44	6.99	-96.65
CC(C)CN(CCC(=O)[O-])C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300001449958	0	36	-2.0	-95.26	316.04	6.76	-88.50
COC1=C(C(=O)N(CCC(=O)[O-])CC(C)C)NC(=O)[N-]C1=O	REAL300001449964	1	39	-2.0	-91.48	330.57	1.10	-90.38
CCOC1=CC(C(=O)N(CCC(=O)[O-])CC(C)C)=CC(Cl)=C1[O-]	REAL300001450041	1	43	-2.0	-102.04	360.89	7.72	-94.32
CC(C)CN(CCC(=O)[O-])C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300001450044	0	46	-2.0	-122.79	388.45	8.98	-113.81
COC1=CC=C(N2C=C([O-])C(C(=O)N(CCC(=O)[O-])CC(C)C)=N2)C=C1	REAL300001450049	0	47	-2.0	-121.42	381.09	7.42	-114.00
C[N-]S(=O)(=O)C1=CC(C(=O)N(CCC(=O)[O-])CC(C)C)=CO1	REAL300001450060	1	40	-2.0	-90.05	340.60	1.91	-88.14
CC(C)CN(CCC(=O)[O-])C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300001450165	0	39	-2.0	-85.26	325.35	6.09	-79.17
CC(C)CN(CCC(=O)[O-])C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300001450165	1	39	-2.0	-85.21	325.42	6.09	-79.12
COCC1=NC=C(C(=O)N(CCC(=O)[O-])CC(C)C)C(=O)[N-]1	REAL300001450381	1	41	-2.0	-104.30	344.38	3.30	-101.00
CC(C)CN(CCC(=O)[O-])C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300001450417	1	44	-2.0	-105.56	358.24	6.19	-99.37
CC(C)CN(CCC(=O)[O-])C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300001450612	0	36	-2.0	-95.79	322.17	8.51	-87.28
CCN(CCC(=O)[O-])C(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O	REAL300001451194	1	50	-2.0	-102.21	400.85	7.24	-94.97
CCN(CCC(=O)[O-])C(=O)C1=CC(C)=CC=C1[N-]S(C)(=O)=O	REAL300001451513	0	40	-2.0	-107.46	343.68	4.50	-102.96
CCN(CCC(=O)[O-])C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1	REAL300001451764	1	44	-2.0	-104.27	382.36	6.82	-97.45
CCN(CCC(=O)[O-])C(=O)C1=CC=CC=C1[N-]S(=O)(=O)CC	REAL300001451805	0	40	-2.0	-106.05	347.30	4.88	-101.17
CCN(CCC(=O)[O-])C(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1	REAL300001451843	1	42	-2.0	-112.35	365.08	10.15	-102.20
CCN(CCC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300001451893	1	44	-2.0	-92.86	383.56	6.91	-85.95
CCN(CCC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C)C=C1	REAL300001451895	1	47	-2.0	-95.55	397.22	7.61	-87.94
CCN(CCC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300001452010	1	44	-2.0	-99.03	377.17	6.85	-92.18
CCN(CCC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300001452011	1	44	-2.0	-106.43	375.93	6.77	-99.66
CCN(CCC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C(F)(F)F)C(C)=C1	REAL300001452023	0	40	-2.0	-84.31	360.30	5.05	-79.26
CCN(CCC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2)C=C1	REAL300001452149	1	47	-2.0	-96.26	398.72	7.52	-88.74
CCN(CCC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300001452233	0	41	-2.0	-102.64	369.11	5.85	-96.79
CCN(CCC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300001452250	1	43	-2.0	-88.69	365.25	3.64	-85.05
CCN(CCC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C)O1	REAL300001452251	1	34	-2.0	-87.86	310.49	1.20	-86.66
CCN(CCC(=O)[O-])C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2)=C1	REAL300001452363	1	47	-2.0	-111.07	397.33	7.43	-103.64
CCN(CCC(=O)[O-])C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2)=C1	REAL300001452402	1	47	-2.0	-111.51	397.34	7.44	-104.07
CCN(CCC(=O)[O-])C(=O)C1=CC(NC(C)=O)=CC=C1[N-]S(C)(=O)=O	REAL300001452474	0	44	-2.0	-113.46	378.36	2.74	-110.72
CCN(CCC(=O)[O-])C(=O)C1=CC=CC=C1[N-]S(C)(=O)=O	REAL300001452522	0	37	-2.0	-104.59	325.85	3.98	-100.61
CCN(CCC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300001452530	0	41	-2.0	-104.80	367.87	5.78	-99.02
CCN(CCC(=O)[O-])C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300001452531	0	44	-2.0	-112.97	398.93	6.95	-106.02
CCN(CCC(=O)[O-])C(=O)CC1=CSC([N-]C(=O)C(C)C)=N1	REAL300001452845	1	41	-2.0	-108.53	355.82	5.50	-103.03
CCN(CCC(=O)[O-])C(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O	REAL300001453019	0	37	-2.0	-99.71	328.70	3.90	-95.81
CCN(CCC(=O)[O-])C(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O	REAL300001453028	1	43	-2.0	-114.93	366.66	5.70	-109.23
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N(CC)CCC(=O)[O-]	REAL300001453033	0	43	-2.0	-106.52	368.81	5.67	-100.85
CCN(CCC(=O)[O-])C(=O)C1=C(C)N=C(C(C)(C)C)[N-]C1=O	REAL300001453084	1	43	-2.0	-106.54	354.29	5.30	-101.24
CCN(CCC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300001453191	1	44	-2.0	-95.55	377.32	6.84	-88.71
CCN(CCC(=O)[O-])C(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O	REAL300001453615	0	43	-2.0	-108.88	371.81	6.23	-102.65
CCN(CCC(=O)[O-])C(=O)C1=CC(Br)=C([O-])C(Br)=C1	REAL300001453698	0	30	-2.0	-88.33	295.58	6.09	-82.24
CCN(CCC(=O)[O-])C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300001453752	1	33	-2.0	-111.15	292.88	7.13	-104.02
CCN(CCC(=O)[O-])C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300001453828	0	36	-2.0	-95.49	319.26	2.91	-92.58
CCN(CCC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300001453882	1	43	-2.0	-91.90	372.36	5.09	-86.81
CCN(CCC(=O)[O-])C(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-]	REAL300001453897	0	46	-2.0	-121.10	378.33	8.88	-112.22
CCN(CCC(=O)[O-])C(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-]	REAL300001453898	0	46	-2.0	-120.36	378.24	8.86	-111.50
CCN(CCC(=O)[O-])C(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-]	REAL300001453952	0	40	-2.0	-117.29	343.77	7.56	-109.73
CCN(CCC(=O)[O-])C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300001453955	0	37	-2.0	-119.11	324.46	7.01	-112.10
CCN(CCC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300001453983	0	37	-2.0	-91.41	337.48	4.21	-87.20
CCN(CCC(=O)[O-])C(=O)C1=CN=C(I)C([O-])=C1	REAL300001454014	0	29	-2.0	-87.18	279.70	4.03	-83.15
CCN(CCC(=O)[O-])C(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-]	REAL300001454052	0	40	-2.0	-125.38	342.83	7.61	-117.77
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(CC)CCC(=O)[O-])=N1	REAL300001454053	0	43	-2.0	-123.22	357.04	8.52	-114.70
CCN(CCC(=O)[O-])C(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O	REAL300001454077	1	43	-2.0	-113.49	365.93	5.65	-107.84
CCOC1=CC(C(=O)N(CC)CCC(=O)[O-])=CC(Cl)=C1[O-]	REAL300001454150	1	37	-2.0	-95.24	325.00	6.43	-88.81
CCN(CCC(=O)[O-])C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300001454154	0	40	-2.0	-121.54	355.04	7.77	-113.77
CCN(CCC(=O)[O-])C(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-]	REAL300001454160	0	41	-2.0	-120.27	347.53	6.26	-114.01
CCN(CCC(=O)[O-])C(=O)C1=COC(S(=O)(=O)[N-]C)=C1	REAL300001454175	1	34	-2.0	-90.57	303.35	0.60	-89.97
CCN(CCC(=O)[O-])C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300001454637	0	30	-2.0	-106.43	285.77	7.24	-99.19
CCN(CCC(=O)[O-])C(=O)C1=C(C)N=C(C2=CC=CO2)[N-]C1=O	REAL300001454814	0	38	-2.0	-105.69	330.39	3.99	-101.70
CCCC(C)(NC(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O)C(=O)[O-]	REAL300001455168	1	53	-2.0	-108.82	408.91	6.73	-102.09
CCCC(C)(NC(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1)C(=O)[O-]	REAL300001455697	1	45	-2.0	-116.10	373.19	9.72	-106.38
CCCC(C)(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300001455843	1	47	-2.0	-109.04	390.22	6.78	-102.26
CCCC(C)(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300001455844	1	47	-2.0	-117.04	390.40	6.78	-110.26
CCCC(C)(NC(=O)C1=CC=C([N-]S(=O)(=O)C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300001455855	0	43	-2.0	-93.44	371.65	4.96	-88.48
CCCC(C)(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300001456038	0	44	-2.0	-112.82	382.15	5.78	-107.04
CCCC(C)(NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300001456056	1	46	-2.0	-97.78	377.58	3.02	-94.76
CCCC(C)(NC(=O)C1=CC=C(S(=O)(=O)[N-]C)O1)C(=O)[O-]	REAL300001456057	1	37	-2.0	-96.27	322.12	0.61	-95.66
CCCC(C)(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C(=O)[O-]	REAL300001456282	0	44	-2.0	-115.24	382.34	5.79	-109.45
CCCC(C)(NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1)C(=O)[O-]	REAL300001456534	1	44	-2.0	-115.19	363.87	4.96	-110.23
CCCC(C)(NC(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O)C(=O)[O-]	REAL300001456710	1	46	-2.0	-132.21	374.73	5.18	-127.03
CCCC(C)(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300001456840	1	47	-2.0	-102.85	390.39	6.78	-96.07
CCCC(C)(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300001457374	1	36	-2.0	-123.85	305.82	6.91	-116.94
CCCC(C)(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300001457442	0	39	-2.0	-105.46	330.72	2.94	-102.52
CCCC(C)(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300001457488	1	46	-2.0	-98.89	385.43	5.00	-93.89
CCCC(C)(NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-])C(=O)[O-]	REAL300001457502	0	49	-2.0	-137.72	390.32	7.99	-129.73
CCCC(C)(NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])C(=O)[O-]	REAL300001457503	0	49	-2.0	-136.36	390.26	7.99	-128.37
CCCC(C)(NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-])C(=O)[O-]	REAL300001457549	0	43	-2.0	-132.91	357.79	7.09	-125.82
CCCC(C)(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300001457553	0	40	-2.0	-133.95	336.47	6.14	-127.81
CCCC(C)(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(=O)[O-]	REAL300001457569	1	38	-2.0	-138.11	309.62	6.53	-131.58
CCCC(C)(NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300001457585	0	40	-2.0	-100.58	351.94	4.20	-96.38
CCCC(C)(NC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300001457617	0	32	-2.0	-103.90	291.18	3.94	-99.96
CCCC(C)(NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-])C(=O)[O-]	REAL300001457650	0	43	-2.0	-141.32	354.81	6.73	-134.59
CCCC(C)(NC(=O)C1=NN(C2=CC=CC=C2CC)C=C1[O-])C(=O)[O-]	REAL300001457651	0	46	-2.0	-139.80	371.32	7.81	-131.99
CCCC(C)(NC(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O)C(=O)[O-]	REAL300001457679	1	46	-2.0	-130.83	374.00	5.13	-125.70
CCCC(C)(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300001457706	0	33	-2.0	-100.21	291.49	5.39	-94.82
CCCC(C)(NC(=O)C1=CC(Cl)=C([O-])C(OCC)=C1)C(=O)[O-]	REAL300001457766	1	40	-2.0	-104.78	336.33	6.35	-98.43
CCCC(C)(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300001457769	0	43	-2.0	-140.90	359.96	7.50	-133.40
CCCC(C)(NC(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-])C(=O)[O-]	REAL300001457773	0	44	-2.0	-135.85	359.55	5.37	-130.48
CCCC(C)(NC(=O)C1=COC(S(=O)(=O)[N-]C)=C1)C(=O)[O-]	REAL300001457783	1	37	-2.0	-107.14	321.25	0.58	-106.56
CCCC(C)(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300001457878	0	36	-2.0	-91.77	305.03	3.47	-88.30
CCCC(C)(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300001457878	1	36	-2.0	-91.71	305.09	3.48	-88.23
CCCC(C)(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(=O)[O-]	REAL300001458081	1	41	-2.0	-110.72	324.24	4.92	-105.80
CCCC(C)(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300001458244	0	33	-2.0	-118.94	299.88	6.95	-111.99
O=C([O-])CC(NC(=O)C1=CC=C([O-])C(F)=C1)C1=CC=CC(Br)=C1	REAL300001459408	1	34	-2.0	-99.44	328.95	7.24	-92.20
O=C([O-])CC(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC(Br)=C1	REAL300001459448	0	34	-2.0	-94.53	319.24	4.59	-89.94
O=C([O-])CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC(Br)=C1	REAL300001459448	1	34	-2.0	-94.53	319.30	4.60	-89.93
O=C([O-])CC(NC(=O)C1=CN=CC([O-])=C1)C1=CC=CC(Br)=C1	REAL300001459499	1	33	-2.0	-101.20	310.75	4.66	-96.54
O=C([O-])CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC(Br)=C1	REAL300001459702	0	37	-2.0	-101.15	347.62	6.17	-94.98
O=C([O-])CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC(Br)=C1	REAL300001459702	1	37	-2.0	-101.17	347.67	6.19	-94.98
O=C([O-])CC(NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=CC=CC(Br)=C1	REAL300001459716	0	34	-2.0	-96.73	338.75	7.74	-88.99
O=C([O-])CC(NC(=O)C1=C[N-]N=CC1=O)C1=CC=CC(Br)=C1	REAL300001459879	0	32	-2.0	-91.34	303.06	5.12	-86.22
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300001461017	1	46	-2.0	-129.98	405.37	11.41	-118.57
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])O1	REAL300001461370	1	47	-2.0	-98.35	408.47	4.80	-93.55
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])O1	REAL300001461371	1	38	-2.0	-97.00	354.02	2.30	-94.70
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=CS1	REAL300001461855	1	45	-2.0	-112.36	396.60	6.66	-105.70
CC1=C(CC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001462049	1	47	-2.0	-116.33	406.62	6.88	-109.45
O=C([O-])C(CC1=CC=CC=C1)NC(=O)C1=CC=C([O-])C(F)=C1	REAL300001462945	1	34	-2.0	-102.33	308.28	6.49	-95.84
O=C([O-])C(CC1=CC=CC=C1)NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300001462954	1	37	-2.0	-119.38	337.72	9.06	-110.32
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=N1	REAL300001463039	0	40	-2.0	-104.41	363.51	4.58	-99.83
O=C([O-])C(CC1=CC=CC=C1)NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300001463064	1	39	-2.0	-112.40	340.11	6.07	-106.33
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC(CC3=CC=CC=C3)C(=O)[O-])=N2)=C1	REAL300001463114	0	50	-2.0	-133.79	423.10	9.62	-124.17
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(CC3=CC=CC=C3)C(=O)[O-])=N2)C=C1	REAL300001463115	0	50	-2.0	-132.29	423.04	9.63	-122.66
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300001463180	0	44	-2.0	-129.26	390.34	8.78	-120.48
O=C([O-])C(CC1=CC=CC=C1)NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300001463185	0	41	-2.0	-129.66	369.26	7.77	-121.89
O=C([O-])C(CC1=CC=CC=C1)NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300001463212	1	39	-2.0	-134.92	341.53	8.67	-126.25
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(CC3=CC=CC=C3)C(=O)[O-])=N2)=C1	REAL300001463348	0	44	-2.0	-136.78	387.61	8.36	-128.42
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300001463349	0	47	-2.0	-135.59	403.87	9.49	-126.10
CC1=C(CC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001463406	1	47	-2.0	-114.81	406.69	6.79	-108.02
O=C([O-])C(CC1=CC=CC=C1)NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300001463459	0	34	-2.0	-97.87	324.23	7.06	-90.81
COC1=C(C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])NC(=O)[N-]C1=O	REAL300001463469	1	37	-2.0	-98.09	330.37	2.11	-95.98
O=C([O-])C(CC1=CC=CC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300001463543	0	37	-2.0	-105.72	326.98	5.39	-100.33
O=C([O-])C(CC1=CC=CC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300001463543	1	37	-2.0	-105.72	327.04	5.41	-100.31
O=C([O-])C(CC1=CC=CC=C1)NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300001463572	0	34	-2.0	-99.65	318.07	6.97	-92.68
CCOC1=CC(C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300001463575	1	41	-2.0	-102.88	369.13	8.02	-94.86
COC1=CC=C(N2C=C([O-])C(C(=O)NC(CC3=CC=CC=C3)C(=O)[O-])=N2)C=C1	REAL300001463581	0	45	-2.0	-131.97	392.33	7.01	-124.96
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=CO1	REAL300001463596	1	38	-2.0	-102.85	353.81	2.30	-100.55
O=C([O-])C(CC1=CC=CC=C1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300001463732	0	37	-2.0	-91.05	336.93	5.16	-85.89
O=C([O-])C(CC1=CC=CC=C1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300001463732	1	37	-2.0	-91.07	336.99	5.16	-85.91
COCC1=NC=C(C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C(=O)[N-]1	REAL300001463987	1	39	-2.0	-111.30	343.05	3.64	-107.66
O=C([O-])C(CC1=CC=CC=C1)NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300001464029	1	42	-2.0	-112.66	356.26	6.58	-106.08
O=C([O-])C(CC1=CC=CC=C1)NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300001464270	0	34	-2.0	-115.25	331.78	9.09	-106.16
CC1=C(CCC(=O)N(CCC(=O)[O-])C2CC2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300001464988	1	51	-2.0	-102.56	406.56	7.68	-94.88
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N(CCC(=O)[O-])C2CC2)C=C1	REAL300001465517	1	43	-2.0	-113.98	371.60	10.59	-103.39
O=C([O-])CCN(C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C1CC1	REAL300001465664	1	45	-2.0	-113.75	381.75	7.41	-106.34
O=C([O-])CCN(C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C1CC1	REAL300001465665	1	45	-2.0	-102.84	380.08	7.30	-95.54
CC1=CC(C(=O)N(CCC(=O)[O-])C2CC2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300001465676	0	41	-2.0	-94.93	362.46	5.61	-89.32
O=C([O-])CCN(C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C1CC1	REAL300001465860	0	42	-2.0	-111.24	371.89	6.31	-104.93
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N(CCC(=O)[O-])C2CC2)O1	REAL300001465877	1	44	-2.0	-115.56	368.99	4.21	-111.35
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(CCC(=O)[O-])C2CC2)O1	REAL300001465878	1	35	-2.0	-113.18	314.22	1.76	-111.42
O=C([O-])CCN(C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C1CC1	REAL300001466106	0	42	-2.0	-100.76	373.17	6.41	-94.35
CC(C)C(=O)[N-]C1=NC(CC(=O)N(CCC(=O)[O-])C2CC2)=CS1	REAL300001466360	1	42	-2.0	-94.58	360.30	6.08	-88.50
CC1=C(CC(=O)N(CCC(=O)[O-])C2CC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001466532	1	44	-2.0	-116.15	371.46	6.08	-110.07
O=C([O-])CCN(C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C1CC1	REAL300001466661	1	45	-2.0	-99.40	381.89	7.42	-91.98
O=C([O-])CCN(C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1CC1	REAL300001467193	1	34	-2.0	-96.63	297.29	7.62	-89.01
CS(=O)(=O)[N-]C1=CC=C(C(=O)N(CCC(=O)[O-])C2CC2)C=N1	REAL300001467259	0	37	-2.0	-111.21	321.56	3.48	-107.73
O=C([O-])CCN(C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C1CC1	REAL300001467304	1	44	-2.0	-94.86	376.92	5.64	-89.22
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N(CCC(=O)[O-])C3CC3)=N2)=C1	REAL300001467318	0	47	-2.0	-122.57	381.01	9.33	-113.24
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N(CCC(=O)[O-])C3CC3)=N2)C=C1	REAL300001467319	0	47	-2.0	-118.63	379.46	9.29	-109.34
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(CCC(=O)[O-])C2CC2)=N1	REAL300001467366	0	41	-2.0	-113.87	347.64	8.07	-105.80
O=C([O-])CCN(C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1CC1	REAL300001467370	0	38	-2.0	-111.23	326.56	7.46	-103.77
O=C([O-])CCN(C(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1CC1	REAL300001467385	1	36	-2.0	-112.54	300.72	8.74	-103.80
O=C([O-])CCN(C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C1CC1	REAL300001467401	0	38	-2.0	-84.76	342.76	4.85	-79.91
O=C([O-])CCN(C(=O)C1=CN=C(I)C([O-])=C1)C1CC1	REAL300001467431	0	30	-2.0	-92.83	281.99	4.50	-88.33
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N(CCC(=O)[O-])C3CC3)=N2)=C1	REAL300001467463	0	41	-2.0	-120.17	341.58	8.04	-112.13
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(CCC(=O)[O-])C2CC2)=N1	REAL300001467464	0	44	-2.0	-118.17	360.97	8.99	-109.18
CC1=C(CC(=O)N(CCC(=O)[O-])C2CC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001467489	1	44	-2.0	-112.99	369.89	6.03	-106.96
O=C([O-])CCN(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1CC1	REAL300001467514	0	31	-2.0	-95.04	282.31	6.03	-89.01
CCOC1=CC(C(=O)N(CCC(=O)[O-])C2CC2)=CC(Cl)=C1[O-]	REAL300001467572	1	38	-2.0	-101.90	327.15	7.00	-94.90
O=C([O-])CCN(C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C1CC1	REAL300001467575	0	41	-2.0	-128.60	358.84	8.30	-120.30
COC1=CC=C(N2C=C([O-])C(C(=O)N(CCC(=O)[O-])C3CC3)=N2)C=C1	REAL300001467579	0	42	-2.0	-118.43	348.72	6.67	-111.76
C[N-]S(=O)(=O)C1=CC(C(=O)N(CCC(=O)[O-])C2CC2)=CO1	REAL300001467589	1	35	-2.0	-91.94	308.83	1.18	-90.76
O=C([O-])CCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL300001467683	0	34	-2.0	-94.75	296.21	5.39	-89.36
O=C([O-])CCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL300001467683	1	34	-2.0	-94.74	296.28	5.40	-89.34
O=C([O-])CCN(C(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1CC1	REAL300001467882	1	39	-2.0	-109.91	317.84	5.04	-104.87
O=C([O-])CCN(C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CC1	REAL300001468035	0	31	-2.0	-95.44	291.28	7.67	-87.77
CC1=C(CCC(=O)N(CCC(=O)[O-])CC2CC2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300001468599	1	54	-2.0	-102.35	431.86	8.78	-93.57
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N(CCC(=O)[O-])CC2CC2)C=C1	REAL300001469149	1	46	-2.0	-113.43	396.47	11.69	-101.74
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N(CCC(=O)[O-])CC2CC2)O1	REAL300001469510	1	47	-2.0	-87.58	396.74	5.26	-82.32
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(CCC(=O)[O-])CC2CC2)O1	REAL300001469511	1	38	-2.0	-87.41	343.12	2.71	-84.70
CC(C)C(=O)[N-]C1=NC(CC(=O)N(CCC(=O)[O-])CC2CC2)=CS1	REAL300001470010	1	45	-2.0	-107.98	386.82	7.03	-100.95
CC1=C(CC(=O)N(CCC(=O)[O-])CC2CC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001470202	1	47	-2.0	-117.18	397.60	7.20	-109.98
O=C([O-])CCN(CC1CC1)C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300001470976	1	37	-2.0	-97.42	323.78	8.62	-88.80
CS(=O)(=O)[N-]C1=CC=C(C(=O)N(CCC(=O)[O-])CC2CC2)C=N1	REAL300001471052	0	40	-2.0	-95.75	349.64	4.40	-91.35
O=C([O-])CCN(CC1CC1)C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300001471070	1	39	-2.0	-109.73	329.41	5.43	-104.30
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N(CCC(=O)[O-])CC3CC3)=N2)=C1	REAL300001471118	0	50	-2.0	-122.30	406.98	10.17	-112.13
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N(CCC(=O)[O-])CC3CC3)=N2)C=C1	REAL300001471119	0	50	-2.0	-118.68	408.70	10.27	-108.41
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(CCC(=O)[O-])CC2CC2)=N1	REAL300001471171	0	44	-2.0	-117.69	369.32	9.43	-108.26
O=C([O-])CCN(CC1CC1)C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300001471176	0	41	-2.0	-120.57	353.28	8.32	-112.25
O=C([O-])CCN(CC1CC1)C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300001471194	1	39	-2.0	-113.18	328.82	9.93	-103.25
O=C([O-])CCN(CC1CC1)C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300001471212	0	41	-2.0	-84.99	369.44	5.73	-79.26
O=C([O-])CCN(CC1CC1)C(=O)C1=CN=C(I)C([O-])=C1	REAL300001471252	0	33	-2.0	-93.11	308.70	5.38	-87.73
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N(CCC(=O)[O-])CC3CC3)=N2)=C1	REAL300001471300	0	44	-2.0	-127.32	376.28	9.07	-118.25
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(CCC(=O)[O-])CC2CC2)=N1	REAL300001471301	0	47	-2.0	-123.67	384.76	10.09	-113.58
CC1=C(CC(=O)N(CCC(=O)[O-])CC2CC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001471343	1	47	-2.0	-111.91	399.29	7.26	-104.65
O=C([O-])CCN(CC1CC1)C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300001471378	0	34	-2.0	-91.74	310.49	6.95	-84.79
COC1=C(C(=O)N(CCC(=O)[O-])CC2CC2)NC(=O)[N-]C1=O	REAL300001471384	1	37	-2.0	-91.77	327.96	1.16	-90.61
CCOC1=CC(C(=O)N(CCC(=O)[O-])CC2CC2)=CC(Cl)=C1[O-]	REAL300001471462	1	41	-2.0	-101.95	354.43	7.95	-94.00
O=C([O-])CCN(CC1CC1)C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300001471465	0	44	-2.0	-121.63	386.55	9.34	-112.29
COC1=CC=C(N2C=C([O-])C(C(=O)N(CCC(=O)[O-])CC3CC3)=N2)C=C1	REAL300001471470	0	45	-2.0	-118.34	377.96	7.65	-110.69
C[N-]S(=O)(=O)C1=CC(C(=O)N(CCC(=O)[O-])CC2CC2)=CO1	REAL300001471481	1	38	-2.0	-91.47	337.98	2.31	-89.16
O=C([O-])CCN(CC1CC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300001471587	0	37	-2.0	-94.89	324.40	6.44	-88.45
O=C([O-])CCN(CC1CC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300001471587	1	37	-2.0	-94.93	324.46	6.44	-88.49
COCC1=NC=C(C(=O)N(CCC(=O)[O-])CC2CC2)C(=O)[N-]1	REAL300001471798	1	39	-2.0	-107.89	331.25	3.08	-104.81
O=C([O-])CCN(CC1CC1)C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300001471832	1	42	-2.0	-109.99	345.17	5.98	-104.01
O=C([O-])CCN(CC1CC1)C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300001472027	0	34	-2.0	-95.98	318.77	8.69	-87.29
CC1=C(CCC(=O)N(CC(=O)[O-])CC(C)C)C(=O)[N-]C(N2CCOCC2)=N1	REAL300001472638	1	53	-2.0	-117.77	417.62	8.21	-109.56
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N(CC(=O)[O-])CC(C)C)C=C1	REAL300001473167	1	45	-2.0	-122.65	381.84	11.12	-111.53
CC(C)CN(CC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300001473313	1	47	-2.0	-113.84	393.04	7.79	-106.05
CC(C)CN(CC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300001473314	1	47	-2.0	-105.08	392.46	7.74	-97.34
CC1=CC(C(=O)N(CC(=O)[O-])CC(C)C)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300001473325	0	43	-2.0	-87.73	377.13	6.03	-81.70
CC(C)CN(CC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300001473508	0	44	-2.0	-102.88	384.98	6.80	-96.08
CC(C)CN(CC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300001473526	1	46	-2.0	-111.88	382.29	4.50	-107.38
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(CC(=O)[O-])CC(C)C)O1	REAL300001473527	1	37	-2.0	-110.16	326.93	2.08	-108.08
CC(C)CN(CC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300001473752	0	44	-2.0	-102.79	384.34	6.76	-96.03
CC(C)CN(CC(=O)[O-])C(=O)CC1=CSC([N-]C(=O)C(C)C)=N1	REAL300001474004	1	44	-2.0	-99.50	372.34	6.49	-93.01
CC1=C(CC(=O)N(CC(=O)[O-])CC(C)C)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001474180	1	46	-2.0	-108.35	383.42	6.64	-101.71
CC(C)CN(CC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300001474310	1	47	-2.0	-98.70	393.20	7.79	-90.91
CC(C)CN(CC(=O)[O-])C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300001474844	1	36	-2.0	-103.47	308.77	8.03	-95.44
CC(C)CN(CC(=O)[O-])C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300001474912	0	39	-2.0	-112.58	335.60	3.89	-108.69
CC(C)CN(CC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300001474958	1	46	-2.0	-94.13	388.91	6.01	-88.12
CC(C)CN(CC(=O)[O-])C(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-]	REAL300001474972	0	49	-2.0	-134.36	395.20	9.68	-124.68
CC(C)CN(CC(=O)[O-])C(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-]	REAL300001474973	0	49	-2.0	-130.73	395.15	9.68	-121.05
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(CC(=O)[O-])CC(C)C)=N1	REAL300001475019	0	43	-2.0	-125.00	359.29	8.48	-116.52
CC(C)CN(CC(=O)[O-])C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300001475023	0	40	-2.0	-125.06	341.35	7.82	-117.24
CC(C)CN(CC(=O)[O-])C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300001475039	1	38	-2.0	-126.79	313.57	9.10	-117.69
CC(C)CN(CC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300001475055	0	40	-2.0	-86.98	353.95	5.19	-81.79
CC(C)CN(CC(=O)[O-])C(=O)C1=CN=C(I)C([O-])=C1	REAL300001475087	0	32	-2.0	-94.66	296.52	4.93	-89.73
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N(CC(=O)[O-])CC(C)C)=N2)=C1	REAL300001475120	0	43	-2.0	-133.76	357.55	8.41	-125.35
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(CC(=O)[O-])CC(C)C)=N1	REAL300001475121	0	46	-2.0	-132.70	373.64	9.40	-123.30
CC1=C(CC(=O)N(CC(=O)[O-])CC(C)C)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001475149	1	46	-2.0	-106.34	382.69	6.59	-99.75
CC(C)CN(CC(=O)[O-])C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300001475176	0	33	-2.0	-98.50	296.98	6.45	-92.05
CCOC1=CC(C(=O)N(CC(=O)[O-])CC(C)C)=CC(Cl)=C1[O-]	REAL300001475236	1	40	-2.0	-104.08	341.31	7.40	-96.68
CC(C)CN(CC(=O)[O-])C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300001475239	0	43	-2.0	-141.50	369.80	8.69	-132.81
COC1=CC=C(N2C=C([O-])C(C(=O)N(CC(=O)[O-])CC(C)C)=N2)C=C1	REAL300001475243	0	44	-2.0	-129.42	364.41	7.08	-122.34
C[N-]S(=O)(=O)C1=CC(C(=O)N(CC(=O)[O-])CC(C)C)=CO1	REAL300001475253	1	37	-2.0	-93.60	322.38	1.71	-91.89
CC(C)CN(CC(=O)[O-])C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300001475348	0	36	-2.0	-95.40	309.15	5.67	-89.73
CC(C)CN(CC(=O)[O-])C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300001475348	1	36	-2.0	-95.40	309.22	5.67	-89.73
CC(C)CN(CC(=O)[O-])C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300001475551	1	41	-2.0	-124.84	338.53	5.86	-118.98
CC(C)CN(CC(=O)[O-])C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300001475714	0	33	-2.0	-100.38	301.42	8.05	-92.33
CC1=C(CCC(=O)NC2CCC(C(=O)[O-])CC2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300001476307	1	54	-2.0	-106.29	418.94	7.16	-99.13
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2CCC(C(=O)[O-])CC2)=C1	REAL300001476660	0	44	-2.0	-102.93	366.83	4.62	-98.31
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1CCC(C(=O)[O-])CC1	REAL300001476972	0	44	-2.0	-104.00	366.91	4.84	-99.16
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2CCC(C(=O)[O-])CC2)C=C1	REAL300001477022	1	46	-2.0	-111.99	383.52	10.13	-101.86
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2CCC(C(=O)[O-])CC2)O1	REAL300001477474	1	47	-2.0	-89.05	393.33	3.05	-86.00
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2CCC(C(=O)[O-])CC2)O1	REAL300001477475	1	38	-2.0	-88.65	337.88	0.64	-88.01
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2CCC(C(=O)[O-])CC2)=C1	REAL300001477706	0	48	-2.0	-107.74	397.11	3.26	-104.48
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1CCC(C(=O)[O-])CC1	REAL300001477752	0	41	-2.0	-102.58	345.44	3.95	-98.63
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2CCC(C(=O)[O-])CC2)=CS1	REAL300001478126	1	45	-2.0	-105.00	379.64	5.04	-99.96
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1CCC(C(=O)[O-])CC1	REAL300001478361	0	41	-2.0	-96.38	347.42	4.43	-91.95
CC1=C(CC(=O)NC2CCC(C(=O)[O-])CC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001478366	1	47	-2.0	-102.91	384.74	5.61	-97.30
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1CCC(C(=O)[O-])CC1	REAL300001478370	0	47	-2.0	-104.47	388.41	5.64	-98.83
CC1=C(C(=O)NC2CCC(C(=O)[O-])CC2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300001478441	1	47	-2.0	-92.05	369.78	5.43	-86.62
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NC1CCC(C(=O)[O-])CC1	REAL300001479191	0	47	-2.0	-104.82	386.90	6.61	-98.21
O=C([O-])C1CCC(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CC1	REAL300001479386	1	37	-2.0	-104.33	321.60	7.40	-96.93
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2CCC(C(=O)[O-])CC2)C=N1	REAL300001479485	0	40	-2.0	-94.77	346.50	2.97	-91.80
O=C([O-])C1CCC(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)CC1	REAL300001479516	1	39	-2.0	-91.31	324.29	4.38	-86.93
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3CCC(C(=O)[O-])CC3)=N2)=C1	REAL300001479570	0	50	-2.0	-114.46	406.09	8.01	-106.45
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3CCC(C(=O)[O-])CC3)=N2)C=C1	REAL300001479571	0	50	-2.0	-113.21	406.02	8.01	-105.20
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2CCC(C(=O)[O-])CC2)=N1	REAL300001479647	0	44	-2.0	-110.84	373.56	7.12	-103.72
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C[N-]S(=O)(=O)C1=CC(C(=O)NC2CCC(C(=O)[O-])CC2)=CO1	REAL300001480059	1	38	-2.0	-98.48	337.02	0.61	-97.87
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CC1=CC=C(NS(C)(=O)=O)C(C(=O)NC2=NN(CC(=O)[O-])C=C2)=C1	REAL300001481873	0	38	-2.0	-102.48	340.12	3.96	-98.52
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CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=NN(CC(=O)[O-])C=C1	REAL300001482186	1	38	-2.0	-103.32	340.20	4.18	-99.14
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2=NN(CC(=O)[O-])C=C2)C=C1	REAL300001482235	1	40	-2.0	-105.25	362.57	9.11	-96.14
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=NN(CC(=O)[O-])C=C2)O1	REAL300001482685	1	41	-2.0	-97.00	365.94	2.44	-94.56
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=NN(CC(=O)[O-])C=C2)O1	REAL300001482686	1	32	-2.0	-96.30	311.17	-0.00	-96.30
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=NN(CC(=O)[O-])C=C2)=C1	REAL300001482919	0	42	-2.0	-110.85	375.13	2.17	-108.68
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=NN(CC(=O)[O-])C=C1	REAL300001482964	0	35	-2.0	-102.06	318.74	3.29	-98.77
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=NN(CC(=O)[O-])C=C2)=CS1	REAL300001483339	1	39	-2.0	-102.42	352.95	4.40	-98.02
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1=NN(CC(=O)[O-])C=C1	REAL300001483573	0	35	-2.0	-96.69	325.14	3.35	-93.34
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CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=NN(CC(=O)[O-])C=C1	REAL300001483584	1	41	-2.0	-103.81	361.70	4.97	-98.84
CC1=C(C(=O)NC2=NN(CC(=O)[O-])C=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300001483654	1	41	-2.0	-105.32	342.86	4.80	-100.52
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NC1=NN(CC(=O)[O-])C=C1	REAL300001484383	0	41	-2.0	-106.26	364.62	5.55	-100.71
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CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3=NN(CC(=O)[O-])C=C3)=N2)=C1	REAL300001484758	0	44	-2.0	-116.31	379.37	7.35	-108.96
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=NN(CC(=O)[O-])C=C3)=N2)C=C1	REAL300001484759	0	44	-2.0	-114.65	379.31	7.36	-107.29
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CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=NN(CC(=O)[O-])C=C3)=N2)=C1	REAL300001484991	0	38	-2.0	-118.44	343.87	6.08	-112.36
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=NN(CC(=O)[O-])C=C2)=N1	REAL300001484992	0	41	-2.0	-115.95	353.40	7.22	-108.73
CC1=C(CC(=O)NC2=NN(CC(=O)[O-])C=C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001485049	1	41	-2.0	-107.88	363.05	4.53	-103.35
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CCOC1=CC(C(=O)NC2=NN(CC(=O)[O-])C=C2)=CC(Cl)=C1[O-]	REAL300001485201	1	35	-2.0	-96.76	325.38	5.77	-90.99
O=C([O-])CN1C=CC(NC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])=N1	REAL300001485205	0	38	-2.0	-120.84	349.02	6.86	-113.98
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=NN(CC(=O)[O-])C=C3)=N2)C=C1	REAL300001485213	0	39	-2.0	-114.71	348.60	4.73	-109.98
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=NN(CC(=O)[O-])C=C2)=CO1	REAL300001485234	1	32	-2.0	-95.99	310.32	-0.03	-96.02
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COCC1=NC=C(C(=O)NC2=NN(CC(=O)[O-])C=C2)C(=O)[N-]1	REAL300001485626	1	33	-2.0	-102.68	299.46	1.39	-101.29
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CC1=C(C(=O)NC2=NN(CC(=O)[O-])C=C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300001486176	0	36	-2.0	-108.07	323.35	3.86	-104.21
CC1=CC=C(NS(C)(=O)=O)C(C(=O)NC2=CC=C(OCC(=O)[O-])C=C2C)=C1	REAL300001486988	0	45	-2.0	-101.67	386.98	5.94	-95.73
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC=C(OCC(=O)[O-])C=C2C)=C1	REAL300001486988	1	45	-2.0	-101.67	386.98	5.94	-95.73
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(OCC(=O)[O-])C=C1C	REAL300001487252	1	45	-2.0	-102.69	387.07	6.17	-96.52
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(OCC(=O)[O-])C=C2C)O1	REAL300001487663	1	39	-2.0	-87.11	358.02	1.99	-85.12
CC1=CC(OCC(=O)[O-])=CC=C1NC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O	REAL300001487898	0	42	-2.0	-101.35	365.60	5.27	-96.08
CC1=CC(OCC(=O)[O-])=CC=C1NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1	REAL300001488227	1	46	-2.0	-103.97	399.79	6.38	-97.59
CC1=CC(OCC(=O)[O-])=CC=C1NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O	REAL300001488441	0	42	-2.0	-94.76	372.00	5.34	-89.42
CC1=CC(OCC(=O)[O-])=CC=C1NC(=O)C1=C(C)N=C(C(C)(C)C)[N-]C1=O	REAL300001488530	1	48	-2.0	-89.70	390.05	6.80	-82.90
COC1=CC=C(C(=O)NC2=CC=C(OCC(=O)[O-])C=C2C)C([O-])=C1	REAL300001489022	1	39	-2.0	-108.21	332.45	6.92	-101.29
CC1=CC(OCC(=O)[O-])=CC=C1NC(=O)C1=CC=C([O-])C(F)=C1	REAL300001489584	1	35	-2.0	-91.72	311.38	6.21	-85.51
CC1=CC(OCC(=O)[O-])=CC=C1NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300001489597	1	38	-2.0	-102.59	341.75	8.62	-93.97
CC1=CC(OCC(=O)[O-])=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL300001489638	0	35	-2.0	-90.05	308.85	4.27	-85.78
CC1=CC(OCC(=O)[O-])=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300001489638	1	35	-2.0	-90.06	308.92	4.28	-85.78
CC1=CC(OCC(=O)[O-])=CC=C1NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300001489726	0	41	-2.0	-93.01	366.65	4.30	-88.71
CC1=CC(OCC(=O)[O-])=CC=C1NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300001489762	1	40	-2.0	-89.28	343.67	5.67	-83.61
CC1=CC(OCC(=O)[O-])=CC=C1NC(=O)C1=CN=CC([O-])=C1	REAL300001489806	1	34	-2.0	-95.19	300.26	4.32	-90.87
CC1=CC(OCC(=O)[O-])=CC=C1NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-]	REAL300001489918	0	45	-2.0	-108.03	389.06	8.44	-99.59
CC1=CC(OCC(=O)[O-])=CC=C1NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300001489923	0	42	-2.0	-109.88	372.66	7.46	-102.42
CC1=CC(OCC(=O)[O-])=CC=C1NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300001489969	0	40	-2.0	-110.36	345.54	8.26	-102.10
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC=C(OCC(=O)[O-])C=C3C)=N2)=C1	REAL300001490138	0	45	-2.0	-115.66	391.00	8.05	-107.61
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(OCC(=O)[O-])C=C2C)=N1	REAL300001490139	0	48	-2.0	-113.08	400.64	9.18	-103.90
CC1=CC(OCC(=O)[O-])=CC=C1NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300001490275	0	35	-2.0	-89.20	327.42	6.75	-82.45
CC1=CC(OCC(=O)[O-])=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL300001490393	0	38	-2.0	-100.19	330.33	5.05	-95.14
CC1=CC(OCC(=O)[O-])=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL300001490393	1	38	-2.0	-100.19	330.39	5.06	-95.13
CC1=CC(OCC(=O)[O-])=CC=C1NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300001490433	0	35	-2.0	-88.78	321.18	6.71	-82.07
CCOC1=CC(C(=O)NC2=CC=C(OCC(=O)[O-])C=C2C)=CC(Cl)=C1[O-]	REAL300001490437	1	42	-2.0	-92.77	372.26	7.74	-85.03
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(OCC(=O)[O-])C=C3C)=N2)C=C1	REAL300001490446	0	46	-2.0	-110.92	396.43	6.75	-104.17
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=C(OCC(=O)[O-])C=C2C)=CO1	REAL300001490470	1	39	-2.0	-97.87	357.16	1.95	-95.92
CC1=CC(OCC(=O)[O-])=CC=C1NC(=O)C1=C(C(=O)C2=CC=CC=C2)[N-]C=N1	REAL300001490563	0	43	-2.0	-95.81	370.56	10.68	-85.13
CC1=CC(OCC(=O)[O-])=CC=C1NC(=O)C1=C(C(=O)C2=CC=CC=C2)N=C[N-]1	REAL300001490563	1	43	-2.0	-95.75	370.61	10.66	-85.09
CC1=CC(OCC(=O)[O-])=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300001490638	0	38	-2.0	-84.33	340.94	4.84	-79.49
CC1=CC(OCC(=O)[O-])=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300001490638	1	38	-2.0	-84.30	341.00	4.85	-79.45
CC1=CC(OCC(=O)[O-])=CC=C1NC(=O)C1=C[N-]N=CC1=O	REAL300001490937	0	33	-2.0	-81.65	293.42	4.79	-76.86
COCC1=NC=C(C(=O)NC2=CC=C(OCC(=O)[O-])C=C2C)C(=O)[N-]1	REAL300001490973	1	40	-2.0	-88.97	345.51	3.34	-85.63
CC1=CC(OCC(=O)[O-])=CC=C1NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300001491023	1	43	-2.0	-89.19	359.42	6.23	-82.96
CC1=CC(OCC(=O)[O-])=CC=C1NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300001491349	0	35	-2.0	-98.21	335.81	8.66	-89.55
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300001492587	0	41	-2.0	-97.82	364.20	4.95	-92.87
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300001492902	0	41	-2.0	-98.81	364.28	5.17	-93.64
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300001492952	1	43	-2.0	-104.70	386.64	10.09	-94.61
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)O1	REAL300001493401	1	44	-2.0	-94.79	390.02	3.40	-91.39
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)O1	REAL300001493402	1	35	-2.0	-94.35	335.26	0.95	-93.40
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300001493677	0	38	-2.0	-97.53	342.81	4.27	-93.26
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC2=CC=C(C(=O)[O-])C=C2)=CS1	REAL300001494048	1	42	-2.0	-98.17	376.99	5.37	-92.80
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300001494284	0	38	-2.0	-92.90	349.22	4.34	-88.56
CC1=C(CC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001494287	1	44	-2.0	-103.37	386.94	5.53	-97.84
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300001494290	0	44	-2.0	-99.14	385.77	5.95	-93.19
CC1=C(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300001494369	1	44	-2.0	-95.28	366.90	5.76	-89.52
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300001495179	0	44	-2.0	-102.26	388.70	6.52	-95.74
O=C([O-])C1=CC=C(CNC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C=C1	REAL300001495381	1	34	-2.0	-96.73	318.94	7.75	-88.98
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300001495489	0	37	-2.0	-97.01	343.86	3.29	-93.72
O=C([O-])C1=CC=C(CNC(=O)C2=CN=C(C3CC3)[N-]C2=O)C=C1	REAL300001495522	1	36	-2.0	-94.08	321.68	4.70	-89.38
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCC3=CC=C(C(=O)[O-])C=C3)=N2)=C1	REAL300001495578	0	47	-2.0	-109.33	403.46	8.33	-101.00
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC3=CC=C(C(=O)[O-])C=C3)=N2)C=C1	REAL300001495579	0	47	-2.0	-108.02	403.39	8.33	-99.69
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300001495664	0	41	-2.0	-105.04	370.94	7.43	-97.61
O=C([O-])C1=CC=C(CNC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C=C1	REAL300001495669	0	38	-2.0	-105.75	349.61	6.48	-99.27
O=C([O-])C1=CC=C(CNC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C=C1	REAL300001495697	1	36	-2.0	-106.23	322.76	7.36	-98.87
O=C([O-])C1=CC=C(CNC(=O)C2=CN=C(I)C([O-])=C2)C=C1	REAL300001495771	0	30	-2.0	-89.79	304.32	4.32	-85.47
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC3=CC=C(C(=O)[O-])C=C3)=N2)=C1	REAL300001495837	0	41	-2.0	-111.88	367.95	7.06	-104.82
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300001495838	0	44	-2.0	-110.01	384.44	8.15	-101.86
CC1=C(CC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001495906	1	44	-2.0	-102.08	387.12	5.52	-96.56
O=C([O-])C1=CC=C(CNC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C=C1	REAL300001495955	0	31	-2.0	-91.03	304.63	5.74	-85.29
COC1=C(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)NC(=O)[N-]C1=O	REAL300001495965	1	34	-2.0	-94.64	310.78	0.84	-93.80
O=C([O-])C1=CC=C(CNC(=O)C2=CC=C([O-])C(Cl)=C2)C=C1	REAL300001496082	0	31	-2.0	-90.44	298.42	5.70	-84.74
CCOC1=CC(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)=CC(Cl)=C1[O-]	REAL300001496086	1	38	-2.0	-94.96	349.47	6.72	-88.24
COC1=CC=C(N2C=C([O-])C(C(=O)NCC3=CC=C(C(=O)[O-])C=C3)=N2)C=C1	REAL300001496098	0	42	-2.0	-108.23	372.68	5.71	-102.52
C[N-]S(=O)(=O)C1=CC(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)=CO1	REAL300001496119	1	35	-2.0	-95.36	334.39	0.94	-94.42
O=C([O-])C1=CC=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300001496263	0	34	-2.0	-88.12	318.16	3.83	-84.29
O=C([O-])C1=CC=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300001496263	1	34	-2.0	-88.06	318.23	3.84	-84.22
COCC1=NC=C(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)C(=O)[N-]1	REAL300001496566	1	36	-2.0	-93.34	323.52	2.35	-90.99
O=C([O-])C1=CC=C(CNC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C=C1	REAL300001496609	1	39	-2.0	-94.15	337.43	5.25	-88.90
O=C([O-])C1=CC=C(CNC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C=C1	REAL300001496897	0	31	-2.0	-93.60	313.02	7.78	-85.82
CC1=C(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300001497178	0	39	-2.0	-98.59	347.13	4.85	-93.74
CC1=C(CCC(=O)NC(C)C(=O)[O-])C(=O)NC(N2CCOCC2)=N1	REAL300001497517	0	44	-2.0	-96.29	361.44	4.38	-91.91
CC1=C(CCC(=O)NC(C)C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300001497517	1	44	-2.0	-96.29	361.44	4.38	-91.91
CC1=CC=CC=C1NS(=O)(=O)C1=CC=C(C)C(C(=O)NC(C)C(=O)[O-])=C1	REAL300001497554	0	44	-2.0	-102.79	379.24	5.82	-96.97
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)NC(C)C(=O)[O-])=C1	REAL300001497554	1	44	-2.0	-102.79	379.24	5.82	-96.97
CC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)C=C1C	REAL300001497580	0	44	-2.0	-98.94	381.18	5.63	-93.31
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)C=C1C	REAL300001497580	1	44	-2.0	-98.94	381.18	5.63	-93.31
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC(C)C(=O)[O-])=C1	REAL300001497750	0	34	-2.0	-99.50	303.60	2.21	-97.29
CCOC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)C=C1	REAL300001497826	0	45	-2.0	-95.35	394.11	4.65	-90.70
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)C=C1	REAL300001497826	1	45	-2.0	-95.35	394.11	4.65	-90.70
CC(NC(=O)C1=CC=CC(S(=O)(=O)NC2=CC=C(F)C=C2)=C1)C(=O)[O-]	REAL300001497926	0	38	-2.0	-91.16	349.21	4.49	-86.67
CC(NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1)C(=O)[O-]	REAL300001497926	1	38	-2.0	-91.16	349.21	4.49	-86.67
CC1=CC=C(S(=O)(=O)NC2=CC=CC(C(=O)NC(C)C(=O)[O-])=C2)C=C1F	REAL300001497951	0	41	-2.0	-94.97	369.67	5.12	-89.85
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NC(C)C(=O)[O-])=C2)C=C1F	REAL300001497951	1	41	-2.0	-94.97	369.67	5.12	-89.85
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(C)C(=O)[O-]	REAL300001497967	0	34	-2.0	-100.18	303.67	2.43	-97.75
CC1=CC=C(C2=NNC(=S)N2CC(=O)NC(C)C(=O)[O-])C=C1	REAL300001497994	0	36	-2.0	-105.60	325.64	7.34	-98.26
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC(C)C(=O)[O-])C=C1	REAL300001497994	1	36	-2.0	-105.60	325.64	7.34	-98.26
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)C=C1	REAL300001498028	1	45	-2.0	-88.55	394.30	4.62	-83.93
CC(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300001498030	1	38	-2.0	-91.00	349.16	4.49	-86.51
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300001498032	1	41	-2.0	-89.54	362.83	5.19	-84.35
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)=C1C	REAL300001498036	1	44	-2.0	-90.85	379.84	5.73	-85.12
COC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1	REAL300001498042	0	45	-2.0	-103.35	392.50	4.89	-98.46
CC(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300001498131	1	38	-2.0	-97.74	342.76	4.42	-93.32
CC(NC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300001498132	1	41	-2.0	-95.18	374.00	5.14	-90.04
CC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300001498133	1	38	-2.0	-97.63	342.94	4.42	-93.21
CC1=CC(C(=O)NC(C)C(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300001498147	0	34	-2.0	-81.89	324.18	2.60	-79.29
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)C=C1	REAL300001498234	1	41	-2.0	-90.49	364.64	5.05	-85.44
CC(NC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300001498306	0	40	-2.0	-103.23	368.68	5.36	-97.87
CC(NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2)=C1)C(=O)[O-]	REAL300001498307	1	38	-2.0	-92.67	359.51	4.94	-87.73
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)NC(C)C(=O)[O-])=C1	REAL300001498308	0	42	-2.0	-101.22	372.18	3.74	-97.48
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NC(C)C(=O)[O-])=C2)C=C1	REAL300001498309	1	42	-2.0	-95.94	372.30	3.72	-92.22
CC(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300001498311	0	40	-2.0	-95.24	370.82	5.12	-90.12
CC(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300001498315	0	35	-2.0	-94.50	334.68	3.43	-91.07
CC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300001498326	1	37	-2.0	-91.64	328.27	0.76	-90.88
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NC(C)C(=O)[O-])=C2)C=C1	REAL300001498394	1	41	-2.0	-97.91	364.18	5.09	-92.82
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)NC(C)C(=O)[O-])=CC=C2C)C=C1	REAL300001498401	1	44	-2.0	-98.04	379.62	5.87	-92.17
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)=CC=C1F	REAL300001498406	1	41	-2.0	-91.33	369.31	5.15	-86.18
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300001498407	1	41	-2.0	-89.51	364.64	5.26	-84.25
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)NC(C)C(=O)[O-])=CC=C1F	REAL300001498411	0	41	-2.0	-100.98	367.49	5.36	-95.62
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300001498438	0	42	-2.0	-93.42	372.00	3.78	-89.64
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2)C=C1C(=O)NC(C)C(=O)[O-]	REAL300001498440	1	41	-2.0	-96.57	365.76	5.12	-91.45
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)NC(C)C(=O)[O-])=CC=C2C)=C1	REAL300001498441	1	44	-2.0	-98.40	379.62	5.87	-92.53
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)NC(C)C(=O)[O-])=C2)=C1	REAL300001498443	1	41	-2.0	-98.36	364.35	5.08	-93.28
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)NC(C)C(=O)[O-])=C2)=C1	REAL300001498444	1	44	-2.0	-104.57	380.40	5.77	-98.80
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NC(C)C(=O)[O-])=C2)=C1	REAL300001498450	1	44	-2.0	-97.87	379.84	5.85	-92.02
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC(C)C(=O)[O-])=C1	REAL300001498505	0	38	-2.0	-104.69	338.00	0.43	-104.26
CC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C(=O)[O-]	REAL300001498555	0	35	-2.0	-95.82	334.87	3.43	-92.39
CC(NC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300001498556	0	38	-2.0	-100.62	359.52	4.09	-96.53
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)C=C1	REAL300001498824	1	42	-2.0	-88.45	372.45	3.69	-84.76
CC(NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300001498884	0	31	-2.0	-93.35	288.93	1.56	-91.79
CC1=C(CC(=O)NC(C)C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001498894	1	37	-2.0	-102.26	327.08	2.85	-99.41
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(C)C(=O)[O-]	REAL300001498897	0	37	-2.0	-100.66	325.17	3.22	-97.44
CC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300001499007	1	38	-2.0	-89.74	343.24	4.37	-85.37
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)NC(C)C(=O)[O-])=C1	REAL300001499009	0	44	-2.0	-106.79	377.36	6.13	-100.66
CC(NC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300001499244	0	37	-2.0	-103.01	328.09	3.79	-99.22
CC(NC(=O)C1=CC(Br)=C([O-])C(Br)=C1)C(=O)[O-]	REAL300001499296	0	24	-2.0	-83.01	262.59	3.73	-79.28
CC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300001499395	1	37	-2.0	-85.92	338.28	2.60	-83.32
CC(C)C1=CC(N2C=C([O-])C(C(=O)NC(C)C(=O)[O-])=N2)=CC=C1	REAL300001499404	0	40	-2.0	-116.19	342.85	5.59	-110.60
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(C)C(=O)[O-])=N2)C=C1	REAL300001499405	0	40	-2.0	-114.15	342.78	5.59	-108.56
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(C)C(=O)[O-])=N1	REAL300001499426	0	34	-2.0	-110.17	310.15	4.72	-105.45
CC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300001499438	0	31	-2.0	-81.70	304.31	1.86	-79.84
CC(NC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300001499455	0	23	-2.0	-85.64	243.72	1.57	-84.07
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(C)C(=O)[O-])=N2)=C1	REAL300001499481	0	34	-2.0	-118.03	307.34	4.32	-113.71
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(C)C(=O)[O-])=N1	REAL300001499482	0	37	-2.0	-116.83	323.85	5.40	-111.43
CC1=C(CC(=O)NC(C)C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001499494	1	37	-2.0	-100.60	326.36	2.80	-97.80
CC(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300001499537	0	34	-2.0	-121.09	312.32	5.14	-115.95
COC1=CC=C(N2C=C([O-])C(C(=O)NC(C)C(=O)[O-])=N2)C=C1	REAL300001499545	0	35	-2.0	-113.96	312.07	2.97	-110.99
CCOC1=CC=C(CC(CNC(=O)C2=CC=C([O-])C(F)=C2)C(=O)[O-])C=C1	REAL300001501683	1	44	-2.0	-100.60	380.72	6.94	-93.66
CCOC1=CC=C(CC(CNC(=O)CCC2=N[N-]N=N2)C(=O)[O-])C=C1	REAL300001501752	0	44	-2.0	-94.45	378.16	5.01	-89.44
CCOC1=CC=C(CC(CNC(=O)CCC2=NN=N[N-]2)C(=O)[O-])C=C1	REAL300001501752	1	44	-2.0	-94.46	378.22	5.03	-89.43
CCOC1=CC=C(CC(CNC(=O)C2=CN=C(C3CC3)[N-]C2=O)C(=O)[O-])C=C1	REAL300001501827	1	49	-2.0	-111.24	403.87	6.52	-104.72
CCOC1=CC=C(CC(CNC(=O)C2=CN=CC([O-])=C2)C(=O)[O-])C=C1	REAL300001501843	1	43	-2.0	-99.68	369.56	5.07	-94.61
CCOC1=CC=C(CC(CNC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C(=O)[O-])C=C1	REAL300001501946	1	49	-2.0	-125.13	414.86	9.11	-116.02
CCOC1=CC=C(CC(CNC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C(=O)[O-])C=C1	REAL300001502173	0	44	-2.0	-91.67	391.51	7.58	-84.09
CCOC1=CC=C(CC(CNC(=O)C2=C(OC)C(=O)[N-]C(=O)N2)C(=O)[O-])C=C1	REAL300001502191	1	47	-2.0	-94.91	392.96	2.67	-92.24
CCOC1=CC=C(CC(CNC(=O)CCCC2=N[N-]N=N2)C(=O)[O-])C=C1	REAL300001502264	0	47	-2.0	-98.82	399.66	5.79	-93.03
CCOC1=CC=C(CC(CNC(=O)CCCC2=NN=N[N-]2)C(=O)[O-])C=C1	REAL300001502264	1	47	-2.0	-98.83	399.72	5.81	-93.02
CCOC1=CC=C(CC(CNC(=O)C2=CC=C([O-])C(Cl)=C2)C(=O)[O-])C=C1	REAL300001502291	0	44	-2.0	-92.58	385.30	7.53	-85.05
CCOC1=CC=C(CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(=O)[O-])C=C1	REAL300001502415	0	47	-2.0	-92.56	410.30	5.58	-86.98
CCOC1=CC=C(CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(=O)[O-])C=C1	REAL300001502415	1	47	-2.0	-92.51	410.37	5.59	-86.92
CCOC1=CC=C(CC(CNC(=O)C2=C[N-]N=CC2=O)C(=O)[O-])C=C1	REAL300001502588	0	42	-2.0	-102.73	361.77	5.49	-97.24
CCOC1=CC=C(CC(CNC(=O)C2=CN=C(COC)[N-]C2=O)C(=O)[O-])C=C1	REAL300001502611	1	49	-2.0	-113.63	415.61	4.08	-109.55
CCOC1=CC=C(CC(CNC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C(=O)[O-])C=C1	REAL300001502646	1	52	-2.0	-115.67	429.52	6.99	-108.68
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])O1	REAL300001504404	1	39	-2.0	-90.18	364.85	3.10	-87.08
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300001504599	0	42	-2.0	-108.25	372.42	6.41	-101.84
CC1=C(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300001505153	1	48	-2.0	-96.11	396.58	7.91	-88.20
COC1=CC=C(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C([O-])=C1	REAL300001505613	1	39	-2.0	-115.62	339.27	8.10	-107.52
O=C([O-])CN1C=CC2=CC(NC(=O)C3=CC=C([O-])C(F)=C3)=CC=C21	REAL300001506151	1	35	-2.0	-96.40	318.23	7.34	-89.06
O=C([O-])CN1C=CC2=CC(NC(=O)C3=CC=C(C(F)(F)F)C=C3[O-])=CC=C21	REAL300001506165	1	38	-2.0	-106.68	348.56	9.79	-96.89
O=C([O-])CN1C=CC2=CC(NC(=O)CCC3=N[N-]N=N3)=CC=C21	REAL300001506218	0	35	-2.0	-92.19	315.68	5.41	-86.78
O=C([O-])CN1C=CC2=CC(NC(=O)CCC3=NN=N[N-]3)=CC=C21	REAL300001506218	1	35	-2.0	-92.19	315.74	5.42	-86.77
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C=N1	REAL300001506299	0	41	-2.0	-95.08	373.20	5.45	-89.63
O=C([O-])CN1C=CC2=CC(NC(=O)C3=CN=C(C4CC4)[N-]C3=O)=CC=C21	REAL300001506330	1	40	-2.0	-96.16	350.83	6.94	-89.22
O=C([O-])CN1C=CC2=CC(NC(=O)C3=CN=CC([O-])=C3)=CC=C21	REAL300001506370	1	34	-2.0	-95.13	306.80	5.47	-89.66
O=C([O-])CN1C=CC2=CC(NC(=O)C3=NN(C4=CC=CC(F)=C4)C=C3[O-])=CC=C21	REAL300001506485	0	42	-2.0	-114.62	379.21	8.62	-106.00
O=C([O-])CN1C=CC2=CC(NC(=O)C3=C([O-])C4=CC=CC=C4C=N3)=CC=C21	REAL300001506530	0	40	-2.0	-116.13	352.37	9.42	-106.71
O=C([O-])CN1C=CC2=CC(NC(=O)C3=CC(F)=C([O-])C(Cl)=C3)=CC=C21	REAL300001506816	0	35	-2.0	-92.29	334.24	7.90	-84.39
O=C([O-])CN1C=CC2=CC(NC(=O)CCCC3=N[N-]N=N3)=CC=C21	REAL300001506932	0	38	-2.0	-101.76	337.18	6.19	-95.57
O=C([O-])CN1C=CC2=CC(NC(=O)CCCC3=NN=N[N-]3)=CC=C21	REAL300001506932	1	38	-2.0	-101.79	337.24	6.21	-95.58
O=C([O-])CN1C=CC2=CC(NC(=O)C3=CC=C([O-])C(Cl)=C3)=CC=C21	REAL300001506968	0	35	-2.0	-93.65	328.03	7.82	-85.83
CCOC1=CC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])=CC(Cl)=C1[O-]	REAL300001506971	1	42	-2.0	-95.63	379.08	8.87	-86.76
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])=CO1	REAL300001507004	1	39	-2.0	-99.65	364.01	3.09	-96.56
O=C([O-])CN1C=CC2=CC(NC(=O)C3=C(C(=O)C4=CC=CC=C4)[N-]C=N3)=CC=C21	REAL300001507094	0	43	-2.0	-101.42	376.41	11.80	-89.62
O=C([O-])CN1C=CC2=CC(NC(=O)C3=C(C(=O)C4=CC=CC=C4)N=C[N-]3)=CC=C21	REAL300001507094	1	43	-2.0	-101.44	376.47	11.78	-89.66
O=C([O-])CN1C=CC2=CC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)=CC=C21	REAL300001507167	0	38	-2.0	-87.87	347.76	5.99	-81.88
O=C([O-])CN1C=CC2=CC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=CC=C21	REAL300001507167	1	38	-2.0	-87.88	347.82	5.99	-81.89
O=C([O-])CN1C=CC2=CC(NC(=O)C3=C[N-]N=CC3=O)=CC=C21	REAL300001507449	0	33	-2.0	-86.95	299.28	5.89	-81.06
COCC1=NC=C(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C(=O)[N-]1	REAL300001507483	1	40	-2.0	-95.42	352.93	4.54	-90.88
O=C([O-])CN1C=CC2=CC(NC(=O)C3=CN=C(C4CCC4)[N-]C3=O)=CC=C21	REAL300001507531	1	43	-2.0	-95.83	366.81	7.41	-88.42
O=C([O-])CN1C=CC2=CC(NC(=O)C3=CC(Cl)=CC(Cl)=C3[O-])=CC=C21	REAL300001507837	0	35	-2.0	-102.37	342.63	9.83	-92.54
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)CC(=O)N2CCC(C(=O)[O-])CC2)O1	REAL300001509358	1	45	-2.0	-97.37	386.86	1.88	-95.49
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)C1=CC=CC=C1[N-]S(C)(=O)=O	REAL300001509531	0	48	-2.0	-107.51	398.30	4.65	-102.86
CC1=C(C(=O)N(C)CC(=O)N2CCC(C(=O)[O-])CC2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300001510013	1	54	-2.0	-119.11	431.91	6.20	-112.91
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)C1=CC=C([O-])C(F)=C1	REAL300001510924	1	41	-2.0	-97.40	341.62	5.69	-91.71
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300001510938	1	44	-2.0	-120.47	370.12	8.11	-112.36
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)CCC1=N[N-]N=N1	REAL300001510992	0	41	-2.0	-100.16	340.62	4.14	-96.02
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)CCC1=NN=N[N-]1	REAL300001510992	1	41	-2.0	-100.15	340.67	4.15	-96.00
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300001511064	0	47	-2.0	-99.98	396.68	3.80	-96.18
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300001511094	1	46	-2.0	-101.71	378.79	5.15	-96.56
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)C1=CN=CC([O-])=C1	REAL300001511125	1	40	-2.0	-110.20	328.40	3.70	-106.50
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300001511264	1	46	-2.0	-126.05	375.00	8.81	-117.24
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300001511534	0	41	-2.0	-94.06	357.63	6.26	-87.80
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)CCCC1=N[N-]N=N1	REAL300001511639	0	44	-2.0	-99.84	362.34	4.91	-94.93
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)CCCC1=NN=N[N-]1	REAL300001511639	1	44	-2.0	-99.87	362.40	4.93	-94.94
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300001511671	0	41	-2.0	-94.10	351.42	6.17	-87.93
CCOC1=CC(C(=O)N(C)CC(=O)N2CCC(C(=O)[O-])CC2)=CC(Cl)=C1[O-]	REAL300001511674	1	48	-2.0	-98.42	402.47	7.23	-91.19
C[N-]S(=O)(=O)C1=CC(C(=O)N(C)CC(=O)N2CCC(C(=O)[O-])CC2)=CO1	REAL300001511704	1	45	-2.0	-109.86	384.44	1.55	-108.31
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300001511847	0	44	-2.0	-89.26	370.04	5.32	-83.94
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300001511847	1	44	-2.0	-89.24	370.10	5.32	-83.92
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)C1=C[N-]N=CC1=O	REAL300001512100	0	39	-2.0	-93.86	326.77	4.17	-89.69
COCC1=NC=C(C(=O)N(C)CC(=O)N2CCC(C(=O)[O-])CC2)C(=O)[N-]1	REAL300001512129	1	46	-2.0	-101.28	380.87	2.73	-98.55
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300001512171	1	49	-2.0	-109.83	398.72	5.69	-104.14
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300001512446	0	41	-2.0	-114.92	364.19	8.15	-106.77
CC1=C(CCC(=O)NCC(C)C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300001513129	1	47	-2.0	-100.92	380.46	4.95	-95.97
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)NCC(C)C(=O)[O-])=C1	REAL300001513173	1	47	-2.0	-96.31	397.94	6.42	-89.89
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCC(C)C(=O)[O-])C=C2)C=C1C	REAL300001513204	1	47	-2.0	-98.74	401.89	6.22	-92.52
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC(C)C(=O)[O-])=C1	REAL300001513401	0	37	-2.0	-103.48	322.61	2.77	-100.71
CC(CNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1)C(=O)[O-]	REAL300001513617	1	41	-2.0	-99.70	368.39	5.01	-94.69
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NCC(C)C(=O)[O-])=C2)C=C1F	REAL300001513645	1	44	-2.0	-99.96	389.56	5.69	-94.27
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(C)C(=O)[O-]	REAL300001513664	0	37	-2.0	-105.00	323.57	3.00	-102.00
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC(C)C(=O)[O-])C=C1	REAL300001513700	1	39	-2.0	-110.47	345.55	7.92	-102.55
CC(CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300001513746	1	41	-2.0	-91.26	369.86	5.09	-86.17
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(C)C(=O)[O-])C=C1	REAL300001513748	1	44	-2.0	-93.94	383.53	5.78	-88.16
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(C)C(=O)[O-])C=C2)=C1C	REAL300001513752	1	47	-2.0	-94.99	399.73	6.29	-88.70
CC(CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300001513859	1	41	-2.0	-97.46	363.47	5.02	-92.44
CC(CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300001513860	1	44	-2.0	-103.85	393.02	5.72	-98.13
CC(CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300001513861	1	41	-2.0	-102.55	362.83	4.99	-97.56
CC1=CC(C(=O)NCC(C)C(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300001513876	0	37	-2.0	-82.54	343.20	3.15	-79.39
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(C)C(=O)[O-])C=C2)C=C1	REAL300001513984	1	44	-2.0	-94.55	385.03	5.69	-88.86
CC(CNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2)=C1)C(=O)[O-]	REAL300001514060	1	41	-2.0	-101.38	379.58	5.50	-95.88
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)NCC(C)C(=O)[O-])=C1	REAL300001514061	0	45	-2.0	-109.56	391.20	4.30	-105.26
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NCC(C)C(=O)[O-])=C2)C=C1	REAL300001514062	1	45	-2.0	-104.42	391.49	4.25	-100.17
CC(CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300001514067	0	38	-2.0	-99.13	354.58	3.99	-95.14
CC(CNC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300001514080	1	40	-2.0	-88.13	348.16	1.33	-86.80
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NCC(C)C(=O)[O-])=C2)C=C1	REAL300001514158	1	44	-2.0	-106.77	384.24	5.64	-101.13
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)NCC(C)C(=O)[O-])=CC=C2C)C=C1	REAL300001514165	1	47	-2.0	-106.77	399.68	6.43	-100.34
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCC(C)C(=O)[O-])C=C2)=CC=C1F	REAL300001514171	1	44	-2.0	-91.56	389.37	5.69	-85.87
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NCC(C)C(=O)[O-])C=C1	REAL300001514172	1	44	-2.0	-94.27	384.53	5.83	-88.44
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)NCC(C)C(=O)[O-])=CC=C1F	REAL300001514175	0	44	-2.0	-105.90	387.89	6.00	-99.90
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(C)C(=O)[O-])C=C1	REAL300001514202	0	45	-2.0	-97.45	392.05	4.33	-93.12
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2)C=C1C(=O)NCC(C)C(=O)[O-]	REAL300001514204	1	44	-2.0	-91.03	384.47	5.72	-85.31
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)NCC(C)C(=O)[O-])=CC=C2C)=C1	REAL300001514205	1	47	-2.0	-107.15	399.68	6.42	-100.73
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)NCC(C)C(=O)[O-])=C2)=C1	REAL300001514206	1	44	-2.0	-106.88	383.37	5.64	-101.24
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)NCC(C)C(=O)[O-])=C2)=C1	REAL300001514207	1	47	-2.0	-97.78	400.33	6.33	-91.45
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NCC(C)C(=O)[O-])=C2)=C1	REAL300001514212	1	47	-2.0	-102.14	398.85	6.40	-95.74
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC(C)C(=O)[O-])=C1	REAL300001514275	0	41	-2.0	-108.52	358.20	1.01	-107.51
CC(CNC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300001514318	0	34	-2.0	-103.55	302.91	2.13	-101.42
CC(CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C(=O)[O-]	REAL300001514328	0	38	-2.0	-100.63	353.89	3.99	-96.64
CC(CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300001514329	0	41	-2.0	-109.41	378.54	4.66	-104.75
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC(C)C(=O)[O-])=CS1	REAL300001514600	1	38	-2.0	-104.62	336.28	3.21	-101.41
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(C)C(=O)[O-])C=C2)C=C1	REAL300001514665	1	45	-2.0	-92.95	393.16	4.30	-88.65
CC(CNC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300001514743	0	34	-2.0	-96.27	307.63	2.15	-94.12
CC1=C(CC(=O)NCC(C)C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001514753	1	40	-2.0	-109.32	347.14	3.41	-105.91
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(C)C(=O)[O-]	REAL300001514756	0	40	-2.0	-105.51	345.06	3.79	-101.72
CC(CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300001514893	1	41	-2.0	-93.72	362.81	4.99	-88.73
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)NCC(C)C(=O)[O-])=C1	REAL300001514895	0	47	-2.0	-111.69	398.06	6.74	-104.95
CC(CNC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300001515210	0	40	-2.0	-108.12	347.11	4.35	-103.77
CC(CNC(=O)C1=CC(Br)=C([O-])C(Br)=C1)C(=O)[O-]	REAL300001515279	0	27	-2.0	-85.71	282.49	4.31	-81.40
CC(CNC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300001515375	0	33	-2.0	-94.42	303.15	1.13	-93.29
CC(CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300001515417	1	40	-2.0	-90.33	358.67	3.24	-87.09
CC(C)C1=CC(N2C=C([O-])C(C(=O)NCC(C)C(=O)[O-])=N2)=CC=C1	REAL300001515430	0	43	-2.0	-115.68	361.87	6.17	-109.51
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC(C)C(=O)[O-])=N2)C=C1	REAL300001515431	0	43	-2.0	-114.46	361.81	6.18	-108.28
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC(C)C(=O)[O-])=N1	REAL300001515466	0	37	-2.0	-111.49	329.33	5.27	-106.22
CC(CNC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300001515469	0	34	-2.0	-112.59	308.02	4.32	-108.27
CC(CNC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300001515489	0	34	-2.0	-87.30	323.50	2.41	-84.89
CC(CNC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300001515510	0	26	-2.0	-89.89	262.74	2.15	-87.74
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC(C)C(=O)[O-])=N2)=C1	REAL300001515543	0	37	-2.0	-118.91	326.36	4.91	-114.00
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC(C)C(=O)[O-])=N1	REAL300001515544	0	40	-2.0	-117.78	343.73	6.00	-111.78
CC1=C(CC(=O)NCC(C)C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001515560	1	40	-2.0	-107.76	346.42	3.36	-104.40
CCOC1=CC(C(=O)NCC(C)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300001515617	1	34	-2.0	-93.14	309.57	4.59	-88.55
CC(CNC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300001515621	0	37	-2.0	-119.14	332.39	5.71	-113.43
COC1=CC=C(N2C=C([O-])C(C(=O)NCC(C)C(=O)[O-])=N2)C=C1	REAL300001515630	0	38	-2.0	-114.48	331.09	3.56	-110.92
CC1=C(C(=O)NCC(C)C(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300001516093	0	35	-2.0	-98.96	307.22	2.71	-96.25
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=C(C(=O)[O-])OC3=CC=CC=C32)O1	REAL300001517318	1	38	-2.0	-101.55	360.89	1.59	-99.96
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=C(C(=O)[O-])OC2=CC=CC=C21	REAL300001517510	0	41	-2.0	-112.68	368.45	4.90	-107.78
CC1=C(C(=O)NCC2=C(C(=O)[O-])OC3=CC=CC=C32)C(=O)[N-]C(C(C)(C)C)=N1	REAL300001518062	1	47	-2.0	-116.20	392.54	6.39	-109.81
O=C([O-])C1=C(CNC(=O)C2=CC=C([O-])C(F)=C2)C2=CC=CC=C2O1	REAL300001519063	1	34	-2.0	-102.34	314.26	5.83	-96.51
O=C([O-])C1=C(CNC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C2=CC=CC=C2O1	REAL300001519076	1	37	-2.0	-113.55	344.58	8.38	-105.17
O=C([O-])C1=C(CNC(=O)CCC2=N[N-]N=N2)C2=CC=CC=C2O1	REAL300001519130	0	34	-2.0	-98.27	311.70	3.90	-94.37
O=C([O-])C1=C(CNC(=O)CCC2=NN=N[N-]2)C2=CC=CC=C2O1	REAL300001519130	1	34	-2.0	-98.27	311.76	3.91	-94.36
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC2=C(C(=O)[O-])OC3=CC=CC=C32)C=N1	REAL300001519211	0	40	-2.0	-106.92	369.50	3.92	-103.00
O=C([O-])C1=C(CNC(=O)C2=CN=C(C3CC3)[N-]C2=O)C2=CC=CC=C2O1	REAL300001519242	1	39	-2.0	-114.79	347.31	5.33	-109.46
O=C([O-])C1=C(CNC(=O)C2=CN=CC([O-])=C2)C2=CC=CC=C2O1	REAL300001519282	1	33	-2.0	-103.33	303.10	3.96	-99.37
O=C([O-])C1=C(CNC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C2=CC=CC=C2O1	REAL300001519397	0	41	-2.0	-125.20	375.24	7.11	-118.09
O=C([O-])C1=C(CNC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C2=CC=CC=C2O1	REAL300001519443	1	39	-2.0	-129.82	348.40	7.99	-121.83
O=C([O-])C1=C(CNC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C2=CC=CC=C2O1	REAL300001519730	0	34	-2.0	-98.82	330.26	6.39	-92.43
COC1=C(C(=O)NCC2=C(C(=O)[O-])OC3=CC=CC=C32)NC(=O)[N-]C1=O	REAL300001519748	1	37	-2.0	-101.72	336.41	1.48	-100.24
O=C([O-])C1=C(CNC(=O)CCCC2=N[N-]N=N2)C2=CC=CC=C2O1	REAL300001519846	0	37	-2.0	-103.63	333.22	4.68	-98.95
O=C([O-])C1=C(CNC(=O)CCCC2=NN=N[N-]2)C2=CC=CC=C2O1	REAL300001519846	1	37	-2.0	-103.62	333.27	4.70	-98.92
O=C([O-])C1=C(CNC(=O)C2=CC=C([O-])C(Cl)=C2)C2=CC=CC=C2O1	REAL300001519882	0	34	-2.0	-99.62	324.06	6.32	-93.30
CCOC1=CC(C(=O)NCC2=C(C(=O)[O-])OC3=CC=CC=C32)=CC(Cl)=C1[O-]	REAL300001519886	1	41	-2.0	-104.08	375.11	7.35	-96.73
C[N-]S(=O)(=O)C1=CC(C(=O)NCC2=C(C(=O)[O-])OC3=CC=CC=C32)=CO1	REAL300001519919	1	38	-2.0	-101.48	360.03	1.57	-99.91
O=C([O-])C1=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C2=CC=CC=C2O1	REAL300001520082	0	37	-2.0	-94.52	343.80	4.46	-90.06
O=C([O-])C1=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C2=CC=CC=C2O1	REAL300001520082	1	37	-2.0	-94.49	343.87	4.48	-90.01
O=C([O-])C1=C(CNC(=O)C2=C[N-]N=CC2=O)C2=CC=CC=C2O1	REAL300001520364	0	32	-2.0	-103.36	295.31	4.37	-98.99
COCC1=NC=C(C(=O)NCC2=C(C(=O)[O-])OC3=CC=CC=C32)C(=O)[N-]1	REAL300001520398	1	39	-2.0	-113.61	349.16	2.98	-110.63
O=C([O-])C1=C(CNC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C2=CC=CC=C2O1	REAL300001520446	1	42	-2.0	-114.98	363.06	5.87	-109.11
O=C([O-])C1=C(CNC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C2=CC=CC=C2O1	REAL300001520751	0	34	-2.0	-110.42	338.65	8.41	-102.01
CC1=C(C(=O)NCC2=C(C(=O)[O-])OC3=CC=CC=C32)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300001521049	0	42	-2.0	-118.87	372.77	5.48	-113.39
CC1=C(CCC(=O)N[C@@H](C)C(=O)[O-])C(=O)NC(N2CCOCC2)=N1	REAL300001521411	0	44	-2.0	-99.32	361.41	4.38	-94.94
CC1=C(CCC(=O)N[C@@H](C)C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300001521411	1	44	-2.0	-99.32	361.41	4.38	-94.94
CC1=CC=CC=C1NS(=O)(=O)C1=CC=C(C)C(C(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300001521446	0	44	-2.0	-103.25	378.78	5.89	-97.36
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300001521446	1	44	-2.0	-103.25	378.78	5.89	-97.36
CC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)N[C@@H](C)C(=O)[O-])C=C2)C=C1C	REAL300001521472	0	44	-2.0	-98.95	381.18	5.63	-93.32
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)N[C@@H](C)C(=O)[O-])C=C2)C=C1C	REAL300001521472	1	44	-2.0	-98.95	381.18	5.63	-93.32
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300001521640	0	34	-2.0	-99.50	303.60	2.21	-97.29
CCOC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)N[C@@H](C)C(=O)[O-])C=C2)C=C1	REAL300001521714	0	45	-2.0	-95.22	393.94	4.67	-90.55
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)N[C@@H](C)C(=O)[O-])C=C2)C=C1	REAL300001521714	1	45	-2.0	-95.22	393.94	4.67	-90.55
C[C@H](NC(=O)C1=CC=CC(S(=O)(=O)NC2=CC=C(F)C=C2)=C1)C(=O)[O-]	REAL300001521813	0	38	-2.0	-91.20	349.38	4.46	-86.74
C[C@H](NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1)C(=O)[O-]	REAL300001521813	1	38	-2.0	-91.20	349.38	4.46	-86.74
CC1=CC=C(S(=O)(=O)NC2=CC=CC(C(=O)N[C@@H](C)C(=O)[O-])=C2)C=C1F	REAL300001521838	0	41	-2.0	-94.69	369.50	5.15	-89.54
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)N[C@@H](C)C(=O)[O-])=C2)C=C1F	REAL300001521838	1	41	-2.0	-94.69	369.50	5.15	-89.54
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@@H](C)C(=O)[O-]	REAL300001521854	0	34	-2.0	-100.12	303.51	2.44	-97.68
CC1=CC=C(C2=NNC(=S)N2CC(=O)N[C@@H](C)C(=O)[O-])C=C1	REAL300001521881	0	36	-2.0	-105.90	326.03	7.34	-98.56
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N[C@@H](C)C(=O)[O-])C=C1	REAL300001521881	1	36	-2.0	-105.90	326.03	7.34	-98.56
CCOC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)N[C@@H](C)C(=O)[O-])C=C2)C=C1	REAL300001521915	0	45	-2.0	-88.67	394.14	4.64	-84.03
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N[C@@H](C)C(=O)[O-])C=C2)C=C1	REAL300001521915	1	45	-2.0	-88.67	394.14	4.64	-84.03
C[C@H](NC(=O)C1=CC=C(NS(=O)(=O)C2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300001521916	0	38	-2.0	-91.01	349.16	4.49	-86.52
C[C@H](NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300001521916	1	38	-2.0	-91.01	349.16	4.49	-86.52
CC1=CC=CC=C1NS(=O)(=O)C1=CC=C(C(=O)N[C@@H](C)C(=O)[O-])C=C1	REAL300001521918	0	41	-2.0	-89.44	362.69	5.20	-84.24
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@@H](C)C(=O)[O-])C=C1	REAL300001521918	1	41	-2.0	-89.44	362.69	5.20	-84.24
CC1=CC=CC(NS(=O)(=O)C2=CC=C(C(=O)N[C@@H](C)C(=O)[O-])C=C2)=C1C	REAL300001521922	0	44	-2.0	-90.74	379.67	5.74	-85.00
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)N[C@@H](C)C(=O)[O-])C=C2)=C1C	REAL300001521922	1	44	-2.0	-90.74	379.67	5.74	-85.00
C[C@H](NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300001522015	1	38	-2.0	-97.68	342.58	4.45	-93.23
C[C@H](NC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300001522016	1	41	-2.0	-95.19	374.00	5.14	-90.05
C[C@H](NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300001522017	1	38	-2.0	-97.58	342.78	4.44	-93.14
CC1=CC(C(=O)N[C@@H](C)C(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300001522030	0	34	-2.0	-81.80	324.02	2.63	-79.17
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N[C@@H](C)C(=O)[O-])C=C2)C=C1	REAL300001522116	1	41	-2.0	-90.34	364.34	5.10	-85.24
C[C@H](NC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300001522187	0	40	-2.0	-104.25	368.51	5.39	-98.86
C[C@H](NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2)=C1)C(=O)[O-]	REAL300001522188	1	38	-2.0	-92.71	359.53	4.95	-87.76
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300001522189	0	42	-2.0	-101.23	372.19	3.74	-97.49
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N[C@@H](C)C(=O)[O-])=C2)C=C1	REAL300001522190	1	42	-2.0	-95.94	372.33	3.71	-92.23
C[C@H](NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300001522192	0	40	-2.0	-95.31	370.99	5.09	-90.22
C[C@H](NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300001522196	0	35	-2.0	-95.90	334.68	3.43	-92.47
C[C@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300001522207	1	37	-2.0	-91.99	330.41	0.62	-91.37
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N[C@@H](C)C(=O)[O-])=C2)C=C1	REAL300001522275	1	41	-2.0	-97.93	364.36	5.07	-92.86
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)N[C@@H](C)C(=O)[O-])=CC=C2C)C=C1	REAL300001522282	1	44	-2.0	-98.08	379.63	5.87	-92.21
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)N[C@@H](C)C(=O)[O-])C=C2)=CC=C1F	REAL300001522287	1	41	-2.0	-91.34	369.31	5.15	-86.19
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)N[C@@H](C)C(=O)[O-])C=C1	REAL300001522288	1	41	-2.0	-91.22	364.95	5.24	-85.98
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N[C@@H](C)C(=O)[O-])=CC=C1F	REAL300001522292	0	41	-2.0	-100.63	367.01	5.42	-95.21
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@@H](C)C(=O)[O-])C=C1	REAL300001522319	0	42	-2.0	-93.51	372.16	3.76	-89.75
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2)C=C1C(=O)N[C@@H](C)C(=O)[O-]	REAL300001522321	1	41	-2.0	-97.05	365.45	5.15	-91.90
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)N[C@@H](C)C(=O)[O-])=CC=C2C)=C1	REAL300001522322	1	44	-2.0	-98.41	379.62	5.89	-92.52
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)N[C@@H](C)C(=O)[O-])=C2)=C1	REAL300001522324	1	41	-2.0	-98.36	364.36	5.07	-93.29
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)N[C@@H](C)C(=O)[O-])=C2)=C1	REAL300001522325	1	44	-2.0	-104.63	380.43	5.77	-98.86
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)N[C@@H](C)C(=O)[O-])=C2)=C1	REAL300001522331	1	44	-2.0	-97.81	379.68	5.89	-91.92
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300001522386	0	38	-2.0	-108.40	338.15	0.46	-107.94
C[C@H](NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C(=O)[O-]	REAL300001522435	0	35	-2.0	-95.84	334.71	3.44	-92.40
C[C@H](NC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300001522436	0	38	-2.0	-101.68	359.36	4.12	-97.56
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N[C@@H](C)C(=O)[O-])C=C2)C=C1	REAL300001522697	1	42	-2.0	-88.80	372.77	3.67	-85.13
C[C@H](NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300001522757	0	31	-2.0	-93.05	288.45	1.62	-91.43
CC1=C(CC(=O)N[C@@H](C)C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001522767	1	37	-2.0	-102.40	327.25	2.82	-99.58
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@@H](C)C(=O)[O-]	REAL300001522770	0	37	-2.0	-100.65	325.01	3.23	-97.42
C[C@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300001522875	1	38	-2.0	-89.51	342.76	4.44	-85.07
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300001522877	0	44	-2.0	-106.99	377.35	6.14	-100.85
C[C@H](NC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300001523110	0	37	-2.0	-103.07	328.09	3.79	-99.28
C[C@H](NC(=O)C1=CC(Br)=C([O-])C(Br)=C1)C(=O)[O-]	REAL300001523158	0	24	-2.0	-83.01	262.59	3.73	-79.28
C[C@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300001523254	1	37	-2.0	-85.72	337.96	2.63	-83.09
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N[C@@H](C)C(=O)[O-])=N2)C=C1	REAL300001523263	0	40	-2.0	-114.15	342.78	5.60	-108.55
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@@H](C)C(=O)[O-])=N1	REAL300001523284	0	34	-2.0	-110.52	310.65	4.67	-105.85
C[C@H](NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300001523295	0	31	-2.0	-81.73	304.32	1.87	-79.86
C[C@H](NC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300001523312	0	23	-2.0	-85.63	243.55	1.60	-84.03
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@@H](C)C(=O)[O-])=N2)=C1	REAL300001523335	0	34	-2.0	-118.02	307.33	4.32	-113.70
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@@H](C)C(=O)[O-])=N1	REAL300001523336	0	37	-2.0	-115.75	316.70	5.49	-110.26
CC1=C(CC(=O)N[C@@H](C)C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001523348	1	37	-2.0	-100.72	326.52	2.77	-97.95
C[C@H](NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300001523389	0	34	-2.0	-121.11	312.32	5.13	-115.98
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@@H](C)C(=O)[O-])=N2)C=C1	REAL300001523395	0	35	-2.0	-114.14	312.39	2.95	-111.19
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=C(C(=O)[O-])SC3=CC=CC=C32)O1	REAL300001524677	1	38	-2.0	-101.97	366.50	2.20	-99.77
CC1=C(C(=O)NCC2=C(C(=O)[O-])SC3=CC=CC=C32)C(=O)[N-]C(C(C)(C)C)=N1	REAL300001525285	1	47	-2.0	-117.83	398.41	6.99	-110.84
O=C([O-])C1=C(CNC(=O)C2=CC=C([O-])C(F)=C2)C2=CC=CC=C2S1	REAL300001526165	1	34	-2.0	-102.84	319.87	6.45	-96.39
O=C([O-])C1=C(CNC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C2=CC=CC=C2S1	REAL300001526180	1	37	-2.0	-115.76	350.20	8.99	-106.77
O=C([O-])C1=C(CNC(=O)CCC2=N[N-]N=N2)C2=CC=CC=C2S1	REAL300001526241	0	34	-2.0	-98.67	317.31	4.51	-94.16
O=C([O-])C1=C(CNC(=O)CCC2=NN=N[N-]2)C2=CC=CC=C2S1	REAL300001526241	1	34	-2.0	-98.68	317.37	4.52	-94.16
O=C([O-])C1=C(CNC(=O)C2=CN=C(C3CC3)[N-]C2=O)C2=CC=CC=C2S1	REAL300001526335	1	39	-2.0	-116.00	352.91	5.95	-110.05
O=C([O-])C1=C(CNC(=O)C2=CN=CC([O-])=C2)C2=CC=CC=C2S1	REAL300001526362	1	33	-2.0	-104.36	308.71	4.58	-99.78
O=C([O-])C1=C(CNC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C2=CC=CC=C2S1	REAL300001526499	1	39	-2.0	-132.65	354.00	8.61	-124.04
O=C([O-])C1=C(CNC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C2=CC=CC=C2S1	REAL300001526770	0	34	-2.0	-99.32	335.87	6.99	-92.33
COC1=C(C(=O)NCC2=C(C(=O)[O-])SC3=CC=CC=C32)NC(=O)[N-]C1=O	REAL300001526789	1	37	-2.0	-100.70	342.01	2.09	-98.61
O=C([O-])C1=C(CNC(=O)CCCC2=N[N-]N=N2)C2=CC=CC=C2S1	REAL300001526880	0	37	-2.0	-104.19	338.81	5.29	-98.90
O=C([O-])C1=C(CNC(=O)CCCC2=NN=N[N-]2)C2=CC=CC=C2S1	REAL300001526880	1	37	-2.0	-104.16	338.87	5.31	-98.85
O=C([O-])C1=C(CNC(=O)C2=CC=C([O-])C(Cl)=C2)C2=CC=CC=C2S1	REAL300001526912	0	34	-2.0	-100.23	329.66	6.93	-93.30
C[N-]S(=O)(=O)C1=CC(C(=O)NCC2=C(C(=O)[O-])SC3=CC=CC=C32)=CO1	REAL300001526942	1	38	-2.0	-102.56	365.63	2.19	-100.37
O=C([O-])C1=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C2=CC=CC=C2S1	REAL300001527080	0	37	-2.0	-94.45	349.40	5.08	-89.37
O=C([O-])C1=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C2=CC=CC=C2S1	REAL300001527080	1	37	-2.0	-94.40	349.47	5.09	-89.31
O=C([O-])C1=C(CNC(=O)C2=C[N-]N=CC2=O)C2=CC=CC=C2S1	REAL300001527320	0	32	-2.0	-104.57	300.92	4.98	-99.59
COCC1=NC=C(C(=O)NCC2=C(C(=O)[O-])SC3=CC=CC=C32)C(=O)[N-]1	REAL300001527351	1	39	-2.0	-114.38	354.76	3.58	-110.80
O=C([O-])C1=C(CNC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C2=CC=CC=C2S1	REAL300001527392	1	42	-2.0	-116.21	368.67	6.48	-109.73
O=C([O-])C1=C(CNC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C2=CC=CC=C2S1	REAL300001527663	0	34	-2.0	-112.52	344.27	9.03	-103.49
CC1=CC=C(NS(C)(=O)=O)C(C(=O)NC2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300001528812	0	41	-2.0	-103.61	354.28	5.36	-98.25
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300001528812	1	41	-2.0	-103.61	354.28	5.36	-98.25
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(C(=O)[O-])C(C)=C1	REAL300001529127	1	41	-2.0	-103.05	354.28	5.58	-97.47
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2=CC=C(C(=O)[O-])C(C)=C2)C=C1	REAL300001529177	1	43	-2.0	-109.83	376.21	10.52	-99.31
CC1=CC(NC(=O)C2=CC=C(S(=O)(=O)[N-]C(C)(C)C)O2)=CC=C1C(=O)[O-]	REAL300001529626	1	44	-2.0	-88.14	380.70	3.79	-84.35
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C(C)=C2)O1	REAL300001529627	1	35	-2.0	-88.30	325.26	1.38	-86.92
CC1=CC(NC(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)=CC=C1C(=O)[O-]	REAL300001529902	0	38	-2.0	-103.40	332.85	4.68	-98.72
CC1=CC(NC(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)=CC=C1C(=O)[O-]	REAL300001530273	1	42	-2.0	-104.91	366.42	5.79	-99.12
CC1=CC(NC(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)=CC=C1C(=O)[O-]	REAL300001530509	0	38	-2.0	-96.68	339.30	4.75	-91.93
CC1=CC(NC(=O)CC2=C(C)N=C(C3=CC=CN=C3)[N-]C2=O)=CC=C1C(=O)[O-]	REAL300001530512	1	44	-2.0	-109.01	376.93	5.94	-103.07
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(C(=O)[O-])C(C)=C1	REAL300001530515	1	44	-2.0	-103.48	375.78	6.37	-97.11
CC1=CC(NC(=O)C2=C(C)N=C(C(C)(C)C)[N-]C2=O)=CC=C1C(=O)[O-]	REAL300001530594	1	44	-2.0	-91.61	356.80	6.28	-85.33
COC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C(C)=C2)C([O-])=C1	REAL300001531069	1	35	-2.0	-113.63	299.70	6.38	-107.25
CC1=CC(NC(=O)C2=CC3=CC=CC=C3C=C2[N-]S(C)(=O)=O)=CC=C1C(=O)[O-]	REAL300001531404	0	44	-2.0	-109.02	378.77	6.94	-102.08
CC1=CC(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])=CC=C1C(=O)[O-]	REAL300001531606	1	34	-2.0	-104.79	309.03	8.06	-96.73
CC1=CC(NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)=CC=C1C(=O)[O-]	REAL300001531714	0	37	-2.0	-93.85	333.31	3.71	-90.14
CC1=CC(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)=CC=C1C(=O)[O-]	REAL300001531747	1	36	-2.0	-90.89	312.18	5.18	-85.71
CC1=CC(NC(=O)C2=NN(C3=CC=CC(C(C)C)=C3)C=C2[O-])=CC=C1C(=O)[O-]	REAL300001531803	0	47	-2.0	-113.99	393.25	8.76	-105.23
CC1=CC(NC(=O)C2=NN(C3=CC=C(C(C)C)C=C3)C=C2[O-])=CC=C1C(=O)[O-]	REAL300001531804	0	47	-2.0	-113.04	393.18	8.76	-104.28
CC1=CC(NC(=O)C2=NN(C3=CC=C(F)C=C3C)C=C2[O-])=CC=C1C(=O)[O-]	REAL300001531889	0	41	-2.0	-112.30	364.15	7.95	-104.35
CC1=CC(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])=CC=C1C(=O)[O-]	REAL300001531894	0	38	-2.0	-111.92	339.40	6.91	-105.01
CC1=CC(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)=CC=C1C(=O)[O-]	REAL300001531922	0	36	-2.0	-111.48	312.76	7.69	-103.79
CC1=CC(NC(=O)C2=CN=C(I)C([O-])=C2)=CC=C1C(=O)[O-]	REAL300001531996	0	30	-2.0	-91.75	293.79	4.73	-87.02
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC=C(C(=O)[O-])C(C)=C3)=N2)=C1	REAL300001532062	0	41	-2.0	-119.27	360.88	7.56	-111.71
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(C(=O)[O-])C(C)=C2)=N1	REAL300001532063	0	44	-2.0	-117.23	377.92	8.63	-108.60
CC1=CC(NC(=O)CC2=C(C)N=C(C3=CC=NC=C3)[N-]C2=O)=CC=C1C(=O)[O-]	REAL300001532131	1	44	-2.0	-107.83	377.11	5.93	-101.90
CC1=CC(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)=CC=C1C(=O)[O-]	REAL300001532180	0	31	-2.0	-89.65	294.13	6.18	-83.47
CC1=CC(NC(=O)C2=CC=C([O-])C(Cl)=C2)=CC=C1C(=O)[O-]	REAL300001532307	0	31	-2.0	-91.41	291.36	6.18	-85.23
CCOC1=CC(C(=O)NC2=CC=C(C(=O)[O-])C(C)=C2)=CC(Cl)=C1[O-]	REAL300001532311	1	38	-2.0	-92.65	338.95	7.14	-85.51
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(C(=O)[O-])C(C)=C3)=N2)C=C1	REAL300001532323	0	42	-2.0	-113.10	362.46	6.14	-106.96
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=C(C(=O)[O-])C(C)=C2)=CO1	REAL300001532344	1	35	-2.0	-99.01	323.87	1.36	-97.65
CC1=CC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)=CC=C1C(=O)[O-]	REAL300001532425	0	39	-2.0	-98.32	336.56	10.06	-88.26
CC1=CC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)=CC=C1C(=O)[O-]	REAL300001532425	1	39	-2.0	-98.38	336.51	10.05	-88.33
CC1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=C1C(=O)[O-]	REAL300001532488	0	34	-2.0	-85.48	308.26	4.26	-81.22
CC1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC=C1C(=O)[O-]	REAL300001532488	1	34	-2.0	-85.50	308.19	4.26	-81.24
COCC1=NC=C(C(=O)NC2=CC=C(C(=O)[O-])C(C)=C2)C(=O)[N-]1	REAL300001532791	1	36	-2.0	-90.45	314.03	2.84	-87.61
CC1=CC(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)=CC=C1C(=O)[O-]	REAL300001532834	1	39	-2.0	-90.81	327.93	5.73	-85.08
CC1=CC(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=CC=C1C(=O)[O-]	REAL300001533122	0	31	-2.0	-100.48	303.06	8.10	-92.38
CC1=CC(NC(=O)C2=C(C)N=C(C3=CC=CO3)[N-]C2=O)=CC=C1C(=O)[O-]	REAL300001533403	0	39	-2.0	-95.12	336.74	5.24	-89.88
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC(CSCC(=O)[O-])=C2)O1	REAL300001534699	1	39	-2.0	-90.67	376.02	2.98	-87.69
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=CC(CSCC(=O)[O-])=C1	REAL300001534886	0	42	-2.0	-97.01	383.59	6.28	-90.73
CC1=C(C(=O)NC2=CC=CC(CSCC(=O)[O-])=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300001535403	1	48	-2.0	-94.22	408.17	7.80	-86.42
COC1=CC=C(C(=O)NC2=CC=CC(CSCC(=O)[O-])=C2)C([O-])=C1	REAL300001535841	1	39	-2.0	-105.23	350.44	7.97	-97.26
O=C([O-])CSCC1=CC=CC(NC(=O)C2=CC=C([O-])C(F)=C2)=C1	REAL300001536373	1	35	-2.0	-99.60	329.38	7.21	-92.39
O=C([O-])CSCC1=CC=CC(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])=C1	REAL300001536386	1	38	-2.0	-108.92	359.43	9.66	-99.26
O=C([O-])CSCC1=CC=CC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300001536441	0	35	-2.0	-88.07	326.84	5.28	-82.79
O=C([O-])CSCC1=CC=CC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300001536441	1	35	-2.0	-88.03	326.90	5.30	-82.73
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=CC(CSCC(=O)[O-])=C2)C=N1	REAL300001536513	0	41	-2.0	-94.01	384.64	5.31	-88.70
O=C([O-])CSCC1=CC=CC(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)=C1	REAL300001536543	1	40	-2.0	-93.73	362.37	6.72	-87.01
O=C([O-])CSCC1=CC=CC(NC(=O)C2=CN=CC([O-])=C2)=C1	REAL300001536581	1	34	-2.0	-100.94	317.94	5.35	-95.59
O=C([O-])CSCC1=CC=CC(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)=C1	REAL300001536733	0	40	-2.0	-106.57	363.53	9.29	-97.28
O=C([O-])CSCC1=CC=CC(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)=C1	REAL300001537019	0	35	-2.0	-98.30	345.11	7.78	-90.52
O=C([O-])CSCC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300001537131	0	38	-2.0	-94.26	348.34	6.06	-88.20
O=C([O-])CSCC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300001537131	1	38	-2.0	-94.24	348.40	6.08	-88.16
O=C([O-])CSCC1=CC=CC(NC(=O)C2=CC=C([O-])C(Cl)=C2)=C1	REAL300001537165	0	35	-2.0	-96.88	339.18	7.70	-89.18
CCOC1=CC(C(=O)NC2=CC=CC(CSCC(=O)[O-])=C2)=CC(Cl)=C1[O-]	REAL300001537168	1	42	-2.0	-92.46	390.25	8.74	-83.72
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=CC(CSCC(=O)[O-])=C2)=CO1	REAL300001537200	1	39	-2.0	-93.91	375.18	2.97	-90.94
O=C([O-])CSCC1=CC=CC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)=C1	REAL300001537286	0	43	-2.0	-94.74	387.33	11.67	-83.07
O=C([O-])CSCC1=CC=CC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)=C1	REAL300001537286	1	43	-2.0	-94.81	387.38	11.66	-83.15
O=C([O-])CSCC1=CC=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300001537356	0	38	-2.0	-88.09	358.63	5.86	-82.23
O=C([O-])CSCC1=CC=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300001537356	1	38	-2.0	-84.91	358.99	5.87	-79.04
O=C([O-])CSCC1=CC=CC(NC(=O)C2=C[N-]N=CC2=O)=C1	REAL300001537627	0	33	-2.0	-87.95	310.44	5.76	-82.19
COCC1=NC=C(C(=O)NC2=CC=CC(CSCC(=O)[O-])=C2)C(=O)[N-]1	REAL300001537659	1	40	-2.0	-93.08	364.21	4.38	-88.70
O=C([O-])CSCC1=CC=CC(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)=C1	REAL300001537705	1	43	-2.0	-93.65	378.12	7.26	-86.39
O=C([O-])CSCC1=CC=CC(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=C1	REAL300001537999	0	35	-2.0	-104.42	353.79	9.70	-94.72
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC(CSCCC(=O)[O-])=C2)O1	REAL300001539405	1	42	-2.0	-87.55	397.69	3.79	-83.76
COC1=CC=C(C(=O)NC2=CC=CC(CSCCC(=O)[O-])=C2)C([O-])=C1	REAL300001540325	1	42	-2.0	-102.97	372.11	8.77	-94.20
O=C([O-])CCSCC1=CC=CC(NC(=O)C2=CC=C([O-])C(F)=C2)=C1	REAL300001540787	1	38	-2.0	-95.49	351.06	8.01	-87.48
O=C([O-])CCSCC1=CC=CC(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])=C1	REAL300001540802	1	41	-2.0	-106.53	381.10	10.46	-96.07
O=C([O-])CCSCC1=CC=CC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300001540863	0	38	-2.0	-85.72	348.52	6.08	-79.64
O=C([O-])CCSCC1=CC=CC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300001540863	1	38	-2.0	-85.72	348.58	6.10	-79.62
O=C([O-])CCSCC1=CC=CC(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)=C1	REAL300001540949	1	43	-2.0	-89.40	384.05	7.52	-81.88
O=C([O-])CCSCC1=CC=CC(NC(=O)C2=CN=CC([O-])=C2)=C1	REAL300001540975	1	37	-2.0	-98.77	339.62	6.15	-92.62
O=C([O-])CCSCC1=CC=CC(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)=C1	REAL300001541103	0	43	-2.0	-103.49	385.21	10.10	-93.39
O=C([O-])CCSCC1=CC=CC(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)=C1	REAL300001541367	0	38	-2.0	-93.86	366.78	8.58	-85.28
O=C([O-])CCSCC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300001541475	0	41	-2.0	-92.30	370.02	6.86	-85.44
O=C([O-])CCSCC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300001541475	1	41	-2.0	-92.31	370.07	6.88	-85.43
O=C([O-])CCSCC1=CC=CC(NC(=O)C2=CC=C([O-])C(Cl)=C2)=C1	REAL300001541507	0	38	-2.0	-92.60	360.85	8.50	-84.10
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=CC(CSCCC(=O)[O-])=C2)=CO1	REAL300001541537	1	42	-2.0	-92.16	396.85	3.77	-88.39
O=C([O-])CCSCC1=CC=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300001541661	0	41	-2.0	-82.42	380.67	6.67	-75.75
O=C([O-])CCSCC1=CC=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300001541661	1	41	-2.0	-85.50	380.31	6.66	-78.84
O=C([O-])CCSCC1=CC=CC(NC(=O)C2=C[N-]N=CC2=O)=C1	REAL300001541881	0	36	-2.0	-84.50	332.12	6.57	-77.93
COCC1=NC=C(C(=O)NC2=CC=CC(CSCCC(=O)[O-])=C2)C(=O)[N-]1	REAL300001541910	1	43	-2.0	-88.81	385.88	5.18	-83.63
O=C([O-])CCSCC1=CC=CC(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)=C1	REAL300001541951	1	46	-2.0	-89.35	399.80	8.07	-81.28
CC1=C(CCC(=O)NCCSCC(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300001542925	1	48	-2.0	-97.88	407.31	5.59	-92.29
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCCSCC(=O)[O-])=C1	REAL300001543258	0	38	-2.0	-99.58	349.47	3.40	-96.18
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCSCC(=O)[O-]	REAL300001543556	0	38	-2.0	-100.57	349.55	3.63	-96.94
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCCSCC(=O)[O-])C=C1	REAL300001543602	1	40	-2.0	-106.16	371.53	8.54	-97.62
O=C([O-])CSCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300001543779	1	42	-2.0	-95.27	388.64	5.61	-89.66
O=C([O-])CSCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300001543780	1	42	-2.0	-100.89	388.81	5.61	-95.28
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCCSCC(=O)[O-])O1	REAL300001544034	1	41	-2.0	-86.94	374.14	1.96	-84.98
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCCSCC(=O)[O-])O1	REAL300001544035	1	32	-2.0	-86.90	320.53	-0.57	-87.47
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCCSCC(=O)[O-])=C1	REAL300001544260	0	42	-2.0	-103.24	384.46	1.62	-101.62
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCSCC(=O)[O-]	REAL300001544304	0	35	-2.0	-99.29	328.08	2.73	-96.56
CC(C)C(=O)[N-]C1=NC(CC(=O)NCCSCC(=O)[O-])=CS1	REAL300001544659	1	39	-2.0	-100.72	362.28	3.83	-96.89
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCCSCC(=O)[O-]	REAL300001544871	0	35	-2.0	-93.04	334.49	2.80	-90.24
CC1=C(CC(=O)NCCSCC(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001544878	1	41	-2.0	-104.93	373.12	4.03	-100.90
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCSCC(=O)[O-]	REAL300001544883	0	41	-2.0	-101.07	371.04	4.41	-96.66
CC1=C(C(=O)NCCSCC(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300001544941	1	41	-2.0	-89.65	352.16	4.21	-85.44
O=C([O-])CSCCNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300001545034	1	42	-2.0	-93.95	388.79	5.61	-88.34
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NCCSCC(=O)[O-]	REAL300001545595	0	41	-2.0	-104.67	373.97	4.98	-99.69
O=C([O-])CSCCNC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300001545767	1	31	-2.0	-99.92	304.23	6.20	-93.72
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCCSCC(=O)[O-])C=N1	REAL300001545858	0	34	-2.0	-92.49	329.13	1.76	-90.73
O=C([O-])CSCCNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300001545919	1	41	-2.0	-90.49	383.84	3.83	-86.66
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCCSCC(=O)[O-])=N2)C=C1	REAL300001545934	0	44	-2.0	-108.99	388.66	6.80	-102.19
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCCSCC(=O)[O-])=N1	REAL300001546001	0	38	-2.0	-106.25	356.19	5.90	-100.35
O=C([O-])CSCCNC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300001546025	1	33	-2.0	-108.34	308.03	5.83	-102.51
O=C([O-])CSCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300001546044	0	35	-2.0	-85.99	350.35	3.05	-82.94
O=C([O-])CSCCNC(=O)C1=CN=C(I)C([O-])=C1	REAL300001546083	0	27	-2.0	-88.74	289.59	2.77	-85.97
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCCSCC(=O)[O-])=N2)=C1	REAL300001546136	0	38	-2.0	-113.49	353.22	5.53	-107.96
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCCSCC(=O)[O-])=N1	REAL300001546137	0	41	-2.0	-111.51	369.72	6.62	-104.89
CC1=C(CC(=O)NCCSCC(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001546184	1	41	-2.0	-103.57	372.40	3.98	-99.59
O=C([O-])CSCCNC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300001546218	0	28	-2.0	-87.78	289.90	4.21	-83.57
CCOC1=CC(C(=O)NCCSCC(=O)[O-])=CC(Cl)=C1[O-]	REAL300001546304	1	35	-2.0	-91.65	334.74	5.18	-86.47
O=C([O-])CSCCNC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300001546308	0	38	-2.0	-112.30	358.36	6.32	-105.98
COC1=CC=C(N2C=C([O-])C(C(=O)NCCSCC(=O)[O-])=N2)C=C1	REAL300001546314	0	39	-2.0	-108.97	357.94	4.18	-104.79
C[N-]S(=O)(=O)C1=CC(C(=O)NCCSCC(=O)[O-])=CO1	REAL300001546333	1	32	-2.0	-95.09	319.66	-0.60	-95.69
O=C([O-])CSCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300001546449	0	31	-2.0	-83.01	303.43	2.30	-80.71
O=C([O-])CSCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300001546449	1	31	-2.0	-82.99	303.50	2.31	-80.68
COCC1=NC=C(C(=O)NCCSCC(=O)[O-])C(=O)[N-]1	REAL300001546692	1	33	-2.0	-88.35	308.79	0.80	-87.55
O=C([O-])CSCCNC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300001546724	1	36	-2.0	-88.77	322.70	3.71	-85.06
O=C([O-])CSCCNC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300001546942	0	28	-2.0	-95.68	298.29	6.24	-89.44
CC1=C(C(=O)NCCSCC(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300001547179	0	36	-2.0	-92.82	332.39	3.30	-89.52
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(CC2=CC=CC(F)=C2)C(=O)[O-])O1	REAL300001548391	1	41	-2.0	-104.28	382.41	2.55	-101.73
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001548578	0	44	-2.0	-109.05	389.96	5.85	-103.20
CC1=C(C(=O)NCC(CC2=CC=CC(F)=C2)C(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300001549095	1	50	-2.0	-113.27	404.14	7.42	-105.85
O=C([O-])C(CNC(=O)C1=CC=C([O-])C(F)=C1)CC1=CC=CC(F)=C1	REAL300001550065	1	37	-2.0	-100.36	335.77	6.79	-93.57
O=C([O-])C(CNC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])CC1=CC=CC(F)=C1	REAL300001550078	1	40	-2.0	-108.71	366.11	9.33	-99.38
O=C([O-])C(CNC(=O)CCC1=N[N-]N=N1)CC1=CC=CC(F)=C1	REAL300001550133	0	37	-2.0	-91.85	323.32	4.93	-86.92
O=C([O-])C(CNC(=O)CCC1=NN=N[N-]1)CC1=CC=CC(F)=C1	REAL300001550133	1	37	-2.0	-91.85	323.38	4.95	-86.90
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC(CC2=CC=CC(F)=C2)C(=O)[O-])C=N1	REAL300001550205	0	43	-2.0	-102.49	381.11	4.95	-97.54
O=C([O-])C(CNC(=O)C1=CN=C(C2CC2)[N-]C1=O)CC1=CC=CC(F)=C1	REAL300001550235	1	42	-2.0	-111.24	358.92	6.37	-104.87
O=C([O-])C(CNC(=O)C1=CN=CC([O-])=C1)CC1=CC=CC(F)=C1	REAL300001550273	1	36	-2.0	-96.42	314.71	4.99	-91.43
O=C([O-])C(CNC(=O)C1=C([O-])C2=CC=CC=C2C=N1)CC1=CC=CC(F)=C1	REAL300001550425	1	42	-2.0	-125.76	369.91	8.95	-116.81
O=C([O-])C(CNC(=O)C1=CC(F)=C([O-])C(Cl)=C1)CC1=CC=CC(F)=C1	REAL300001550711	0	37	-2.0	-92.57	341.88	7.43	-85.14
COC1=C(C(=O)NCC(CC2=CC=CC(F)=C2)C(=O)[O-])NC(=O)[N-]C1=O	REAL300001550730	1	40	-2.0	-95.43	348.02	2.50	-92.93
O=C([O-])C(CNC(=O)CCCC1=N[N-]N=N1)CC1=CC=CC(F)=C1	REAL300001550823	0	40	-2.0	-93.79	354.76	5.63	-88.16
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COCC1=NC=C(C(=O)NC2CCC(C(=O)[O-])CC2)C(=O)[N-]1	REAL300001566998	1	39	-2.0	-90.87	326.13	2.02	-88.85
O=C([O-])C1CCC(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)CC1	REAL300001567037	1	42	-2.0	-91.29	340.04	4.92	-86.37
O=C([O-])C1CCC(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300001567298	0	34	-2.0	-100.28	315.65	7.44	-92.84
CC1=C(C(=O)NC2CCC(C(=O)[O-])CC2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300001567559	0	42	-2.0	-95.30	350.44	4.52	-90.78
CC1=CC=C(C(CNC(=O)C2=CC(C)=CC=C2[N-]S(C)(=O)=O)C(=O)[O-])C=C1	REAL300001568386	0	47	-2.0	-109.23	402.30	6.27	-102.96
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(C(=O)[O-])C1=CC=C(C)C=C1	REAL300001568656	0	47	-2.0	-109.87	401.50	6.85	-103.02
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(C(=O)[O-])C2=CC=C(C)C=C2)O1	REAL300001569072	1	41	-2.0	-100.76	372.46	2.63	-98.13
CC1=CC=C(C(CNC(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)C(=O)[O-])C=C1	REAL300001569309	0	44	-2.0	-108.42	380.91	5.60	-102.82
CC1=CC=C(C(CNC(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)C(=O)[O-])C=C1	REAL300001569644	1	48	-2.0	-106.82	415.10	6.70	-100.12
CC1=CC=C(C(CNC(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)C(=O)[O-])C=C1	REAL300001569860	0	44	-2.0	-103.06	387.33	5.66	-97.40
CC1=CC=C(C(CNC(=O)C2=C(C)N=C(C(C)(C)C)[N-]C2=O)C(=O)[O-])C=C1	REAL300001569948	1	50	-2.0	-117.63	404.11	7.44	-110.19
CC1=CC=C(C(CNC(=O)C2=CC=C([O-])C(F)=C2)C(=O)[O-])C=C1	REAL300001571007	1	37	-2.0	-99.66	326.73	6.53	-93.13
CC1=CC=C(C(CNC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C(=O)[O-])C=C1	REAL300001571020	1	40	-2.0	-108.60	356.18	9.43	-99.17
CC1=CC=C(C(CNC(=O)CCC2=N[N-]N=N2)C(=O)[O-])C=C1	REAL300001571060	0	37	-2.0	-95.05	324.97	4.88	-90.17
CC1=CC=C(C(CNC(=O)CCC2=NN=N[N-]2)C(=O)[O-])C=C1	REAL300001571060	1	37	-2.0	-95.02	325.03	4.89	-90.13
CC1=CC=C(C(CNC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C(=O)[O-])C=C1	REAL300001571150	0	43	-2.0	-105.62	381.96	4.62	-101.00
CC1=CC=C(C(CNC(=O)C2=CN=C(C3CC3)[N-]C2=O)C(=O)[O-])C=C1	REAL300001571186	1	42	-2.0	-115.56	358.89	6.39	-109.17
CC1=CC=C(C(CNC(=O)C2=CN=CC([O-])=C2)C(=O)[O-])C=C1	REAL300001571230	1	36	-2.0	-99.05	315.57	4.66	-94.39
CC1=CC=C(C(CNC(=O)C2=NN(C3=CC=C(F)C=C3C)C=C2[O-])C(=O)[O-])C=C1	REAL300001571342	0	47	-2.0	-121.16	408.14	9.12	-112.04
CC1=CC=C(C(CNC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C(=O)[O-])C=C1	REAL300001571347	0	44	-2.0	-121.19	387.71	7.82	-113.37
CC1=CC=C(C(CNC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C(=O)[O-])C=C1	REAL300001571393	1	42	-2.0	-126.68	359.97	9.04	-117.64
CC1=CC=C(C(CNC(=O)C2=NN(C3=CC(C)=CC=C3F)C=C2[O-])C(=O)[O-])C=C1	REAL300001571560	0	47	-2.0	-129.07	406.05	8.40	-120.67
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC(C(=O)[O-])C2=CC=C(C)C=C2)=N1	REAL300001571561	0	50	-2.0	-127.95	422.56	9.48	-118.47
CC1=CC=C(C(CNC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C(=O)[O-])C=C1	REAL300001571698	0	37	-2.0	-95.39	341.82	7.42	-87.97
COC1=C(C(=O)NCC(C(=O)[O-])C2=CC=C(C)C=C2)NC(=O)[N-]C1=O	REAL300001571715	1	40	-2.0	-97.66	348.88	2.16	-95.50
CC1=CC=C(C(CNC(=O)CCCC2=N[N-]N=N2)C(=O)[O-])C=C1	REAL300001571819	0	40	-2.0	-98.18	345.67	5.38	-92.80
CC1=CC=C(C(CNC(=O)CCCC2=NN=N[N-]2)C(=O)[O-])C=C1	REAL300001571819	1	40	-2.0	-98.26	345.73	5.39	-92.87
CC1=CC=C(C(CNC(=O)C2=CC=C([O-])C(Cl)=C2)C(=O)[O-])C=C1	REAL300001571859	0	37	-2.0	-95.55	334.52	7.21	-88.34
CCOC1=CC(C(=O)NCC(C(=O)[O-])C2=CC=C(C)C=C2)=CC(Cl)=C1[O-]	REAL300001571863	1	44	-2.0	-101.18	387.57	8.05	-93.13
COC1=CC=C(N2C=C([O-])C(C(=O)NCC(C(=O)[O-])C3=CC=C(C)C=C3)=N2)C=C1	REAL300001571872	0	48	-2.0	-124.97	410.77	7.05	-117.92
C[N-]S(=O)(=O)C1=CC(C(=O)NCC(C(=O)[O-])C2=CC=C(C)C=C2)=CO1	REAL300001571896	1	41	-2.0	-96.12	371.61	2.63	-93.49
CC1=CC=C(C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(=O)[O-])C=C1	REAL300001572064	0	40	-2.0	-91.44	355.38	5.53	-85.91
CC1=CC=C(C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(=O)[O-])C=C1	REAL300001572064	1	40	-2.0	-91.42	355.45	5.53	-85.89
CC1=CC=C(C(CNC(=O)C2=C[N-]N=CC2=O)C(=O)[O-])C=C1	REAL300001572363	0	35	-2.0	-103.24	307.78	5.08	-98.16
COCC1=NC=C(C(=O)NCC(C(=O)[O-])C2=CC=C(C)C=C2)C(=O)[N-]1	REAL300001572399	1	42	-2.0	-114.62	361.62	3.68	-110.94
CC1=CC=C(C(CNC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C(=O)[O-])C=C1	REAL300001572449	1	45	-2.0	-116.44	375.53	6.58	-109.86
CC1=CC=C(C(CNC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C(=O)[O-])C=C1	REAL300001572777	0	37	-2.0	-104.77	349.12	9.28	-95.49
CC1=CC=C(C(CNC(=O)C2=C(C)N=C(C3=CC=CO3)[N-]C2=O)C(=O)[O-])C=C1	REAL300001573087	0	45	-2.0	-119.97	384.34	6.53	-113.44
COC1=CC=C(C(=O)NC2=CC=CC(C(=O)N3CCCCC3C(=O)[O-])=C2)C([O-])=C1	REAL300001574019	1	49	-2.0	-137.19	386.79	8.54	-128.65
O=C([O-])C1CCCCN1C(=O)C1=CC(NC(=O)C2=CC=C([O-])C(F)=C2)=CC=C1	REAL300001574226	1	45	-2.0	-112.95	379.30	8.17	-104.78
O=C([O-])C1CCCCN1C(=O)C1=CC(NC(=O)CCC2=N[N-]N=N2)=CC=C1	REAL300001574281	0	45	-2.0	-108.42	376.25	6.22	-102.20
O=C([O-])C1CCCCN1C(=O)C1=CC(NC(=O)CCC2=NN=N[N-]2)=CC=C1	REAL300001574281	1	45	-2.0	-108.39	376.30	6.23	-102.16
O=C([O-])C1CCCCN1C(=O)C1=CC(NC(=O)C2=CN=CC([O-])=C2)=CC=C1	REAL300001574337	1	44	-2.0	-120.74	368.14	6.29	-114.45
O=C([O-])C1CCCCN1C(=O)C1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1	REAL300001574565	0	48	-2.0	-119.56	397.74	7.00	-112.56
O=C([O-])C1CCCCN1C(=O)C1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1	REAL300001574565	1	48	-2.0	-119.62	397.80	7.01	-112.61
O=C([O-])C1CCCCN1C(=O)C1=CC(NC(=O)C2=C[N-]N=CC2=O)=CC=C1	REAL300001574737	0	43	-2.0	-104.72	353.17	6.62	-98.10
CC1=C(CCC(=O)N[C@H](C)C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300001575159	1	44	-2.0	-96.58	361.72	4.35	-92.23
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)N[C@H](C)C(=O)[O-])=C1	REAL300001575196	1	44	-2.0	-102.85	379.25	5.82	-97.03
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)N[C@H](C)C(=O)[O-])C=C2)C=C1C	REAL300001575222	1	44	-2.0	-98.97	381.17	5.63	-93.34
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N[C@H](C)C(=O)[O-])=C1	REAL300001575392	0	34	-2.0	-99.50	303.60	2.21	-97.29
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)N[C@H](C)C(=O)[O-])C=C2)C=C1	REAL300001575468	1	45	-2.0	-95.22	394.11	4.65	-90.57
C[C@@H](NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1)C(=O)[O-]	REAL300001575568	1	38	-2.0	-91.56	349.70	4.42	-87.14
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)N[C@H](C)C(=O)[O-])=C2)C=C1F	REAL300001575593	1	41	-2.0	-95.23	369.97	5.09	-90.14
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@H](C)C(=O)[O-]	REAL300001575609	0	34	-2.0	-100.51	303.99	2.39	-98.12
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N[C@H](C)C(=O)[O-])C=C1	REAL300001575636	1	36	-2.0	-101.34	326.34	7.31	-94.03
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N[C@H](C)C(=O)[O-])C=C2)C=C1	REAL300001575670	1	45	-2.0	-88.89	394.62	4.58	-84.31
C[C@@H](NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300001575672	1	38	-2.0	-91.02	349.15	4.49	-86.53
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H](C)C(=O)[O-])C=C1	REAL300001575674	1	41	-2.0	-89.75	363.17	5.14	-84.61
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)N[C@H](C)C(=O)[O-])C=C2)=C1C	REAL300001575678	1	44	-2.0	-91.05	380.15	5.68	-85.37
COC1=CC=C(C(=O)N[C@H](C)C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1	REAL300001575684	0	45	-2.0	-103.24	392.49	4.88	-98.36
C[C@@H](NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300001575773	1	38	-2.0	-97.92	343.08	4.40	-93.52
C[C@@H](NC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300001575774	1	41	-2.0	-96.90	374.31	5.11	-91.79
C[C@@H](NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300001575775	1	38	-2.0	-97.66	342.94	4.42	-93.24
CC1=CC(C(=O)N[C@H](C)C(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300001575789	0	34	-2.0	-81.90	324.19	2.60	-79.30
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N[C@H](C)C(=O)[O-])C=C2)C=C1	REAL300001575876	1	41	-2.0	-90.57	364.66	5.05	-85.52
C[C@@H](NC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300001575948	0	40	-2.0	-103.17	368.68	5.36	-97.81
C[C@@H](NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2)=C1)C(=O)[O-]	REAL300001575949	1	38	-2.0	-92.84	360.00	4.87	-87.97
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)N[C@H](C)C(=O)[O-])=C1	REAL300001575950	0	42	-2.0	-101.44	372.49	3.70	-97.74
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N[C@H](C)C(=O)[O-])=C2)C=C1	REAL300001575951	1	42	-2.0	-95.90	372.48	3.68	-92.22
C[C@@H](NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300001575953	0	40	-2.0	-94.80	370.97	5.09	-89.71
C[C@@H](NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300001575957	0	35	-2.0	-96.09	335.00	3.40	-92.69
C[C@@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300001575968	1	37	-2.0	-91.73	328.58	0.74	-90.99
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N[C@H](C)C(=O)[O-])=C2)C=C1	REAL300001576036	1	41	-2.0	-97.90	364.36	5.07	-92.83
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)N[C@H](C)C(=O)[O-])=CC=C2C)C=C1	REAL300001576043	1	44	-2.0	-98.42	380.10	5.82	-92.60
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)N[C@H](C)C(=O)[O-])C=C2)=CC=C1F	REAL300001576048	1	41	-2.0	-91.65	369.78	5.09	-86.56
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)N[C@H](C)C(=O)[O-])C=C1	REAL300001576049	1	41	-2.0	-91.01	364.64	5.26	-85.75
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N[C@H](C)C(=O)[O-])=CC=C1F	REAL300001576053	0	41	-2.0	-100.68	367.17	5.39	-95.29
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H](C)C(=O)[O-])C=C1	REAL300001576080	0	42	-2.0	-93.59	372.47	3.71	-89.88
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2)C=C1C(=O)N[C@H](C)C(=O)[O-]	REAL300001576082	1	41	-2.0	-96.60	365.77	5.12	-91.48
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)N[C@H](C)C(=O)[O-])=CC=C2C)=C1	REAL300001576083	1	44	-2.0	-98.76	380.10	5.81	-92.95
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)N[C@H](C)C(=O)[O-])=C2)=C1	REAL300001576085	1	41	-2.0	-98.29	364.35	5.09	-93.20
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)N[C@H](C)C(=O)[O-])=C2)=C1	REAL300001576086	1	44	-2.0	-103.99	380.42	5.77	-98.22
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)N[C@H](C)C(=O)[O-])=C2)=C1	REAL300001576092	1	44	-2.0	-98.02	380.15	5.81	-92.21
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N[C@H](C)C(=O)[O-])=C1	REAL300001576147	0	38	-2.0	-104.23	338.57	0.41	-103.82
C[C@@H](NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C(=O)[O-]	REAL300001576197	0	35	-2.0	-96.20	335.18	3.40	-92.80
C[C@@H](NC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300001576198	0	38	-2.0	-100.78	359.84	4.05	-96.73
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N[C@H](C)C(=O)[O-])C=C2)C=C1	REAL300001576466	1	42	-2.0	-88.61	372.47	3.69	-84.92
C[C@@H](NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300001576526	0	31	-2.0	-93.05	288.62	1.60	-91.45
CC1=C(CC(=O)N[C@H](C)C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001576536	1	37	-2.0	-106.50	326.65	2.74	-103.76
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@H](C)C(=O)[O-]	REAL300001576539	0	37	-2.0	-100.67	325.17	3.21	-97.46
C[C@@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300001576649	1	38	-2.0	-89.71	343.25	4.37	-85.34
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N[C@H](C)C(=O)[O-])=C1	REAL300001576651	0	44	-2.0	-107.11	377.67	6.10	-101.01
C[C@@H](NC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300001576886	0	37	-2.0	-103.34	328.40	3.75	-99.59
C[C@@H](NC(=O)C1=CC(Br)=C([O-])C(Br)=C1)C(=O)[O-]	REAL300001576938	0	24	-2.0	-83.27	262.90	3.71	-79.56
C[C@@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300001577037	1	37	-2.0	-85.93	338.28	2.60	-83.33
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N[C@H](C)C(=O)[O-])=N2)=C1	REAL300001577046	0	40	-2.0	-116.30	342.85	5.59	-110.71
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N[C@H](C)C(=O)[O-])=N2)C=C1	REAL300001577047	0	40	-2.0	-114.18	342.78	5.59	-108.59
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@H](C)C(=O)[O-])=N1	REAL300001577068	0	34	-2.0	-109.49	304.90	4.67	-104.82
C[C@@H](NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300001577080	0	31	-2.0	-82.06	304.79	1.82	-80.24
C[C@@H](NC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300001577097	0	23	-2.0	-85.88	244.03	1.54	-84.34
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@H](C)C(=O)[O-])=N2)=C1	REAL300001577123	0	34	-2.0	-118.05	307.34	4.32	-113.73
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@H](C)C(=O)[O-])=N1	REAL300001577124	0	37	-2.0	-115.92	317.16	5.44	-110.48
CC1=C(CC(=O)N[C@H](C)C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001577136	1	37	-2.0	-104.84	326.52	2.77	-102.07
C[C@@H](NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300001577179	0	34	-2.0	-121.37	312.80	5.07	-116.30
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@H](C)C(=O)[O-])=N2)C=C1	REAL300001577187	0	35	-2.0	-114.17	312.38	2.95	-111.22
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2=NC(C(=O)[O-])=CS2)=C1	REAL300001578211	0	37	-2.0	-103.22	350.38	1.99	-101.23
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=NC(C(=O)[O-])=CS1	REAL300001578520	0	37	-2.0	-104.18	350.46	2.21	-101.97
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC2=NC(C(=O)[O-])=CS2)C=C1	REAL300001578568	1	39	-2.0	-115.14	372.82	7.14	-108.00
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=NC(C(=O)[O-])=CS2)O1	REAL300001579009	1	40	-2.0	-99.41	376.20	0.44	-98.97
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=NC(C(=O)[O-])=CS2)O1	REAL300001579010	1	31	-2.0	-98.97	321.44	-2.00	-100.97
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=NC(C(=O)[O-])=CS1	REAL300001579285	0	34	-2.0	-102.85	328.99	1.31	-101.54
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC2=NC(C(=O)[O-])=CS2)=CS1	REAL300001579639	1	38	-2.0	-102.01	363.19	2.41	-99.60
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCC1=NC(C(=O)[O-])=CS1	REAL300001579878	0	34	-2.0	-97.97	335.40	1.38	-96.59
CC1=C(CC(=O)NCC2=NC(C(=O)[O-])=CS2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001579881	1	40	-2.0	-105.53	373.11	2.57	-102.96
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=NC(C(=O)[O-])=CS1	REAL300001579884	0	40	-2.0	-104.61	371.95	3.00	-101.61
CC1=C(C(=O)NCC2=NC(C(=O)[O-])=CS2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300001579965	1	40	-2.0	-103.14	353.08	2.80	-100.34
O=C([O-])C1=CSC(CNC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])=N1	REAL300001581004	1	30	-2.0	-102.42	305.14	4.79	-97.63
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC2=NC(C(=O)[O-])=CS2)C=N1	REAL300001581111	0	33	-2.0	-101.84	330.04	0.33	-101.51
O=C([O-])C1=CSC(CNC(=O)C2=CN=C(C3CC3)[N-]C2=O)=N1	REAL300001581145	1	32	-2.0	-102.10	307.59	1.80	-100.30
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCC3=NC(C(=O)[O-])=CS3)=N2)=C1	REAL300001581204	0	43	-2.0	-116.30	389.64	5.37	-110.93
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC3=NC(C(=O)[O-])=CS3)=N2)C=C1	REAL300001581205	0	43	-2.0	-114.80	389.57	5.38	-109.42
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC2=NC(C(=O)[O-])=CS2)=N1	REAL300001581296	0	37	-2.0	-111.26	357.10	4.47	-106.79
O=C([O-])C1=CSC(CNC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])=N1	REAL300001581301	0	34	-2.0	-112.21	335.79	3.52	-108.69
O=C([O-])C1=CSC(CNC(=O)C2=C([O-])C3=CC=CC=C3C=N2)=N1	REAL300001581332	1	32	-2.0	-113.66	308.94	4.40	-109.26
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC3=NC(C(=O)[O-])=CS3)=N2)=C1	REAL300001581487	0	37	-2.0	-118.70	354.13	4.10	-114.60
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC2=NC(C(=O)[O-])=CS2)=N1	REAL300001581488	0	40	-2.0	-117.27	370.63	5.19	-112.08
CC1=C(CC(=O)NCC2=NC(C(=O)[O-])=CS2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001581558	1	40	-2.0	-103.91	373.31	2.56	-101.35
O=C([O-])C1=CSC(CNC(=O)C2=CC(F)=C([O-])C(Cl)=C2)=N1	REAL300001581610	0	27	-2.0	-94.93	290.81	2.80	-92.13
COC1=C(C(=O)NCC2=NC(C(=O)[O-])=CS2)NC(=O)[N-]C1=O	REAL300001581623	1	30	-2.0	-98.74	296.99	-2.12	-100.86
O=C([O-])C1=CSC(CNC(=O)C2=CC=C([O-])C(Cl)=C2)=N1	REAL300001581752	0	27	-2.0	-94.87	284.60	2.74	-92.13
CCOC1=CC(C(=O)NCC2=NC(C(=O)[O-])=CS2)=CC(Cl)=C1[O-]	REAL300001581755	1	34	-2.0	-99.28	335.65	3.77	-95.51
COC1=CC=C(N2C=C([O-])C(C(=O)NCC3=NC(C(=O)[O-])=CS3)=N2)C=C1	REAL300001581767	0	38	-2.0	-114.17	358.86	2.75	-111.42
C[N-]S(=O)(=O)C1=CC(C(=O)NCC2=NC(C(=O)[O-])=CS2)=CO1	REAL300001581790	1	31	-2.0	-99.02	320.57	-2.02	-101.04
O=C([O-])C1=CSC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL300001581946	0	30	-2.0	-92.10	304.34	0.88	-91.22
O=C([O-])C1=CSC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL300001581946	1	30	-2.0	-92.08	304.41	0.88	-91.20
COCC1=NC=C(C(=O)NCC2=NC(C(=O)[O-])=CS2)C(=O)[N-]1	REAL300001582266	1	32	-2.0	-100.79	309.69	-0.61	-101.40
O=C([O-])C1=CSC(CNC(=O)C2=CN=C(C3CCC3)[N-]C2=O)=N1	REAL300001582310	1	35	-2.0	-101.80	323.61	2.29	-99.51
O=C([O-])C1=CSC(CNC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=N1	REAL300001582613	0	27	-2.0	-99.37	299.20	4.82	-94.55
CC1=C(C(=O)NCC2=NC(C(=O)[O-])=CS2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300001582915	0	35	-2.0	-106.21	333.31	1.89	-104.32
O=C([O-])C(CNC(=O)C1=CC=C([O-])C(F)=C1)CC1=CC2=CC=CC=C2C=C1	REAL300001584637	1	43	-2.0	-102.00	375.30	8.97	-93.03
O=C([O-])C(CNC(=O)CCC1=N[N-]N=N1)CC1=CC2=CC=CC=C2C=C1	REAL300001584701	0	43	-2.0	-96.78	373.10	7.05	-89.73
O=C([O-])C(CNC(=O)CCC1=NN=N[N-]1)CC1=CC2=CC=CC=C2C=C1	REAL300001584701	1	43	-2.0	-96.84	373.16	7.06	-89.78
O=C([O-])C(CNC(=O)C1=CN=C(C2CC2)[N-]C1=O)CC1=CC2=CC=CC=C2C=C1	REAL300001584767	1	48	-2.0	-117.68	408.41	8.48	-109.20
O=C([O-])C(CNC(=O)C1=CN=CC([O-])=C1)CC1=CC2=CC=CC=C2C=C1	REAL300001584782	1	42	-2.0	-96.63	354.31	7.17	-89.46
COC1=C(C(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])NC(=O)[N-]C1=O	REAL300001585075	1	46	-2.0	-101.13	397.45	4.61	-96.52
O=C([O-])C(CNC(=O)CCCC1=N[N-]N=N1)CC1=CC2=CC=CC=C2C=C1	REAL300001585140	0	46	-2.0	-102.52	394.27	7.82	-94.70
O=C([O-])C(CNC(=O)CCCC1=NN=N[N-]1)CC1=CC2=CC=CC=C2C=C1	REAL300001585140	1	46	-2.0	-102.53	394.33	7.84	-94.69
O=C([O-])C(CNC(=O)C1=CC=C([O-])C(Cl)=C1)CC1=CC2=CC=CC=C2C=C1	REAL300001585164	0	43	-2.0	-98.98	385.09	9.46	-89.52
O=C([O-])C(CNC(=O)C1=C[N-]N=CC1=O)CC1=CC2=CC=CC=C2C=C1	REAL300001585420	0	41	-2.0	-99.97	346.55	7.60	-92.37
COCC1=NC=C(C(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])C(=O)[N-]1	REAL300001585439	1	48	-2.0	-111.05	400.37	6.19	-104.86
O=C([O-])C(CNC(=O)C1=CC=C([O-])C(F)=C1)CC1=CC=CC2=CC=CC=C21	REAL300001587441	1	43	-2.0	-97.89	362.87	8.94	-88.95
O=C([O-])C(CNC(=O)CCC1=N[N-]N=N1)CC1=CC=CC2=CC=CC=C21	REAL300001587505	0	43	-2.0	-96.83	368.78	6.88	-89.95
O=C([O-])C(CNC(=O)CCC1=NN=N[N-]1)CC1=CC=CC2=CC=CC=C21	REAL300001587505	1	43	-2.0	-96.79	368.83	6.90	-89.89
O=C([O-])C(CNC(=O)C1=CN=C(C2CC2)[N-]C1=O)CC1=CC=CC2=CC=CC=C21	REAL300001587571	1	48	-2.0	-116.50	399.79	8.55	-107.95
O=C([O-])C(CNC(=O)C1=CN=CC([O-])=C1)CC1=CC=CC2=CC=CC=C21	REAL300001587586	1	42	-2.0	-101.26	361.14	6.99	-94.27
COC1=C(C(=O)NCC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])NC(=O)[N-]C1=O	REAL300001587879	1	46	-2.0	-101.23	394.46	4.50	-96.73
O=C([O-])C(CNC(=O)CCCC1=N[N-]N=N1)CC1=CC=CC2=CC=CC=C21	REAL300001587944	0	46	-2.0	-95.50	381.82	7.79	-87.71
O=C([O-])C(CNC(=O)CCCC1=NN=N[N-]1)CC1=CC=CC2=CC=CC=C21	REAL300001587944	1	46	-2.0	-95.51	381.88	7.81	-87.70
O=C([O-])C(CNC(=O)C1=CC=C([O-])C(Cl)=C1)CC1=CC=CC2=CC=CC=C21	REAL300001587968	0	43	-2.0	-99.17	382.09	9.35	-89.82
O=C([O-])C(CNC(=O)C1=C[N-]N=CC1=O)CC1=CC=CC2=CC=CC=C21	REAL300001588224	0	41	-2.0	-105.27	352.23	7.35	-97.92
COCC1=NC=C(C(=O)NCC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])C(=O)[N-]1	REAL300001588243	1	48	-2.0	-116.86	407.19	6.02	-110.84
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300001589399	0	45	-2.0	-100.68	395.27	5.22	-95.46
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=CC=CC(OCC(=O)[O-])=C1	REAL300001589663	0	45	-2.0	-101.69	395.34	5.44	-96.25
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=CC=CC(OCC(=O)[O-])=C2)O1	REAL300001590074	1	39	-2.0	-94.38	366.32	1.24	-93.14
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=CC=CC(OCC(=O)[O-])=C1	REAL300001590309	0	42	-2.0	-100.40	373.88	4.54	-95.86
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC2=CC=CC(OCC(=O)[O-])=C2)=CS1	REAL300001590638	1	46	-2.0	-99.21	408.06	5.64	-93.57
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCC1=CC=CC(OCC(=O)[O-])=C1	REAL300001590852	0	42	-2.0	-95.11	380.29	4.61	-90.50
CC1=C(C(=O)NCC2=CC=CC(OCC(=O)[O-])=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300001590941	1	48	-2.0	-97.24	397.96	6.03	-91.21
O=C([O-])COC1=CC=CC(CNC(=O)C2=CC=C([O-])C(F)=C2)=C1	REAL300001591995	1	35	-2.0	-95.10	319.69	5.47	-89.63
O=C([O-])COC1=CC=CC(CNC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])=C1	REAL300001592008	1	38	-2.0	-100.16	350.02	8.02	-92.14
O=C([O-])COC1=CC=CC(CNC(=O)CCC2=N[N-]N=N2)=C1	REAL300001592049	0	35	-2.0	-91.21	317.13	3.54	-87.67
O=C([O-])COC1=CC=CC(CNC(=O)CCC2=NN=N[N-]2)=C1	REAL300001592049	1	35	-2.0	-91.19	317.19	3.56	-87.63
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC2=CC=CC(OCC(=O)[O-])=C2)C=N1	REAL300001592137	0	41	-2.0	-97.78	374.92	3.56	-94.22
O=C([O-])COC1=CC=CC(CNC(=O)C2=CN=C(C3CC3)[N-]C2=O)=C1	REAL300001592173	1	40	-2.0	-96.09	352.74	4.98	-91.11
O=C([O-])COC1=CC=CC(CNC(=O)C2=CN=CC([O-])=C2)=C1	REAL300001592217	1	34	-2.0	-95.67	308.53	3.60	-92.07
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC2=CC=CC(OCC(=O)[O-])=C2)=N1	REAL300001592329	0	45	-2.0	-107.99	402.01	7.71	-100.28
O=C([O-])COC1=CC=CC(CNC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])=C1	REAL300001592334	0	42	-2.0	-109.27	380.67	6.76	-102.51
O=C([O-])COC1=CC=CC(CNC(=O)C2=C([O-])C3=CC=CC=C3C=N2)=C1	REAL300001592380	1	40	-2.0	-110.04	353.83	7.64	-102.40
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC3=CC=CC(OCC(=O)[O-])=C3)=N2)=C1	REAL300001592549	0	45	-2.0	-115.56	399.01	7.34	-108.22
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC2=CC=CC(OCC(=O)[O-])=C2)=N1	REAL300001592550	0	48	-2.0	-113.97	415.52	8.42	-105.55
O=C([O-])COC1=CC=CC(CNC(=O)C2=CC(F)=C([O-])C(Cl)=C2)=C1	REAL300001592686	0	35	-2.0	-92.10	335.69	6.02	-86.08
COC1=C(C(=O)NCC2=CC=CC(OCC(=O)[O-])=C2)NC(=O)[N-]C1=O	REAL300001592704	1	38	-2.0	-94.98	341.84	1.11	-93.87
O=C([O-])COC1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL300001592804	0	38	-2.0	-96.61	338.64	4.32	-92.29
O=C([O-])COC1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL300001592804	1	38	-2.0	-96.64	338.69	4.34	-92.30
O=C([O-])COC1=CC=CC(CNC(=O)C2=CC=C([O-])C(Cl)=C2)=C1	REAL300001592844	0	35	-2.0	-91.63	329.49	5.96	-85.67
CCOC1=CC(C(=O)NCC2=CC=CC(OCC(=O)[O-])=C2)=CC(Cl)=C1[O-]	REAL300001592848	1	42	-2.0	-96.13	380.53	7.00	-89.13
COC1=CC=C(N2C=C([O-])C(C(=O)NCC3=CC=CC(OCC(=O)[O-])=C3)=N2)C=C1	REAL300001592857	0	46	-2.0	-111.49	403.74	5.99	-105.50
C[N-]S(=O)(=O)C1=CC(C(=O)NCC2=CC=CC(OCC(=O)[O-])=C2)=CO1	REAL300001592881	1	39	-2.0	-96.80	365.46	1.22	-95.58
O=C([O-])COC1=CC=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300001593049	0	38	-2.0	-88.30	349.23	4.12	-84.18
O=C([O-])COC1=CC=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300001593049	1	38	-2.0	-88.34	349.29	4.12	-84.22
O=C([O-])COC1=CC=CC(CNC(=O)C2=C[N-]N=CC2=O)=C1	REAL300001593348	0	33	-2.0	-87.18	300.74	4.01	-83.17
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C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=CC=C(OCCCC(=O)[O-])C=C2)O1	REAL300001595244	1	45	-2.0	-90.33	408.77	2.13	-88.20
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C[N-]S(=O)(=O)C1=CC(C(=O)NCC2=CC=C(OCCCC(=O)[O-])C=C2)=CO1	REAL300001597456	1	45	-2.0	-94.32	407.90	2.11	-92.21
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COCC1=NC=C(C(=O)NCC2=CC=C(OCCCC(=O)[O-])C=C2)C(=O)[N-]1	REAL300001597845	1	46	-2.0	-89.03	397.02	3.52	-85.51
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CC1=C(CCC(=O)N2CCOC(CC(=O)[O-])C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300001598934	1	52	-2.0	-104.56	411.74	6.26	-98.30
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCOC(CC(=O)[O-])C2)=C1	REAL300001599289	0	42	-2.0	-106.02	355.54	3.58	-102.44
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCOC(CC(=O)[O-])C1	REAL300001599599	0	42	-2.0	-107.53	355.74	3.79	-103.74
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CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCOC(CC(=O)[O-])C2)O1	REAL300001600101	1	45	-2.0	-91.57	376.46	2.44	-89.13
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCOC(CC(=O)[O-])C2)O1	REAL300001600102	1	36	-2.0	-91.27	321.69	-0.01	-91.28
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCOC(CC(=O)[O-])C2)=C1	REAL300001600333	0	46	-2.0	-113.06	387.49	1.77	-111.29
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCOC(CC(=O)[O-])C1	REAL300001600379	0	39	-2.0	-106.05	334.28	2.89	-103.16
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCOC(CC(=O)[O-])C2)=CS1	REAL300001600751	1	43	-2.0	-105.63	366.69	4.50	-101.13
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCOC(CC(=O)[O-])C1	REAL300001600988	0	39	-2.0	-98.82	340.41	2.98	-95.84
CC1=C(CC(=O)N2CCOC(CC(=O)[O-])C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001600991	1	45	-2.0	-106.92	376.65	4.68	-102.24
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCOC(CC(=O)[O-])C1	REAL300001600994	0	45	-2.0	-108.07	377.24	4.57	-103.50
CC1=C(C(=O)N2CCOC(CC(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300001601065	1	45	-2.0	-109.54	364.98	4.35	-105.19
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)N1CCOC(CC(=O)[O-])C1	REAL300001601829	0	45	-2.0	-111.54	379.18	5.14	-106.40
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CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCOC(CC(=O)[O-])C3)=N2)=C1	REAL300001602208	0	48	-2.0	-115.97	390.22	7.70	-108.27
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCOC(CC(=O)[O-])C3)=N2)C=C1	REAL300001602209	0	48	-2.0	-114.95	389.82	7.67	-107.28
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCOC(CC(=O)[O-])C2)=N1	REAL300001602287	0	42	-2.0	-114.84	362.51	6.22	-108.62
O=C([O-])CC1CN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CCO1	REAL300001602292	0	39	-2.0	-113.70	336.39	5.84	-107.86
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O=C([O-])CC1CN(C(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)CCO1	REAL300001602338	0	39	-2.0	-84.33	353.94	3.34	-80.99
O=C([O-])CC1CN(C(=O)C2=CN=C(I)C([O-])=C2)CCO1	REAL300001602387	0	31	-2.0	-92.67	293.01	2.98	-89.69
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCOC(CC(=O)[O-])C3)=N2)=C1	REAL300001602452	0	42	-2.0	-119.60	354.69	6.42	-113.18
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCOC(CC(=O)[O-])C2)=N1	REAL300001602453	0	45	-2.0	-113.68	375.56	6.97	-106.71
CC1=C(CC(=O)N2CCOC(CC(=O)[O-])C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001602513	1	45	-2.0	-105.26	376.78	4.66	-100.60
O=C([O-])CC1CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)CCO1	REAL300001602558	0	32	-2.0	-93.29	293.57	4.50	-88.79
COC1=C(C(=O)N2CCOC(CC(=O)[O-])C2)NC(=O)[N-]C1=O	REAL300001602566	1	35	-2.0	-92.42	306.37	-1.54	-93.96
CCOC1=CC(C(=O)N2CCOC(CC(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300001602672	1	39	-2.0	-95.17	338.36	5.47	-89.70
O=C([O-])CC1CN(C(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])CCO1	REAL300001602676	0	42	-2.0	-121.12	364.76	6.64	-114.48
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCOC(CC(=O)[O-])C3)=N2)C=C1	REAL300001602684	0	43	-2.0	-114.97	359.11	5.05	-109.92
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCOC(CC(=O)[O-])C2)=CO1	REAL300001602704	1	36	-2.0	-97.94	320.87	-0.17	-98.11
O=C([O-])CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCO1	REAL300001602835	0	35	-2.0	-86.93	304.76	3.41	-83.52
O=C([O-])CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCO1	REAL300001602835	1	35	-2.0	-86.94	304.82	3.42	-83.52
COCC1=NC=C(C(=O)N2CCOC(CC(=O)[O-])C2)C(=O)[N-]1	REAL300001603112	1	37	-2.0	-94.86	312.96	0.94	-93.92
O=C([O-])CC1CN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)CCO1	REAL300001603153	1	40	-2.0	-95.36	326.87	3.91	-91.45
O=C([O-])CC1CN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCO1	REAL300001603413	0	32	-2.0	-102.55	304.17	5.85	-96.70
CC1=C(C(=O)N2CCOC(CC(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300001603673	0	40	-2.0	-112.10	345.13	3.45	-108.65
CC1=C(CCC(=O)NCC2(C(=O)[O-])CCC2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300001604129	1	51	-2.0	-106.51	405.67	6.21	-100.30
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2(C(=O)[O-])CCC2)=C1	REAL300001604477	0	41	-2.0	-104.14	346.64	4.18	-99.96
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1(C(=O)[O-])CCC1	REAL300001604787	0	41	-2.0	-103.81	345.41	4.49	-99.32
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC2(C(=O)[O-])CCC2)C=C1	REAL300001604833	1	43	-2.0	-111.20	370.26	9.17	-102.03
O=C([O-])C1(CNC(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3)C=C2)CCC1	REAL300001605015	1	45	-2.0	-105.93	386.07	6.38	-99.55
O=C([O-])C1(CNC(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)CCC1	REAL300001605016	1	45	-2.0	-102.36	384.67	6.48	-95.88
CC1=CC(C(=O)NCC2(C(=O)[O-])CCC2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300001605029	0	41	-2.0	-88.94	367.23	4.58	-84.36
O=C([O-])C1(CNC(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CS3)C=C2)CCC1	REAL300001605261	0	42	-2.0	-103.90	378.01	5.38	-98.52
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2(C(=O)[O-])CCC2)O1	REAL300001605279	1	44	-2.0	-102.66	374.34	2.45	-100.21
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2(C(=O)[O-])CCC2)O1	REAL300001605280	1	35	-2.0	-101.44	318.89	0.04	-101.40
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2(C(=O)[O-])CCC2)=C1	REAL300001605520	0	45	-2.0	-107.59	381.05	2.42	-105.17
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1(C(=O)[O-])CCC1	REAL300001605566	0	38	-2.0	-103.20	325.25	3.51	-99.69
O=C([O-])C1(CNC(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CS3)=C2)CCC1	REAL300001605574	0	42	-2.0	-101.11	377.92	5.40	-95.71
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC2(C(=O)[O-])CCC2)=CS1	REAL300001605926	1	42	-2.0	-97.64	359.71	4.60	-93.04
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCC1(C(=O)[O-])CCC1	REAL300001606134	0	38	-2.0	-98.37	331.67	3.57	-94.80
CC1=C(CC(=O)NCC2(C(=O)[O-])CCC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001606141	1	44	-2.0	-104.72	370.56	4.61	-100.11
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1(C(=O)[O-])CCC1	REAL300001606146	0	44	-2.0	-104.22	366.91	5.28	-98.94
CC1=C(C(=O)NCC2(C(=O)[O-])CCC2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300001606208	1	44	-2.0	-116.20	350.06	5.02	-111.18
O=C([O-])C1(CNC(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3)C=C2)CCC1	REAL300001606307	1	45	-2.0	-95.31	386.26	6.38	-88.93
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NCC1(C(=O)[O-])CCC1	REAL300001606856	0	44	-2.0	-107.17	371.14	5.77	-101.40
O=C([O-])C1(CNC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CCC1	REAL300001607025	1	34	-2.0	-102.34	300.08	7.08	-95.26
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC2(C(=O)[O-])CCC2)C=N1	REAL300001607112	0	37	-2.0	-102.92	326.30	2.53	-100.39
O=C([O-])C1(CNC(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=NC=C3)C=C2)CCC1	REAL300001607173	1	44	-2.0	-91.19	381.29	4.60	-86.59
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCC3(C(=O)[O-])CCC3)=N2)=C1	REAL300001607188	0	47	-2.0	-124.05	384.59	7.67	-116.38
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC3(C(=O)[O-])CCC3)=N2)C=C1	REAL300001607189	0	47	-2.0	-121.28	385.83	7.58	-113.70
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC2(C(=O)[O-])CCC2)=N1	REAL300001607258	0	41	-2.0	-115.58	347.96	6.66	-108.92
O=C([O-])C1(CNC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CCC1	REAL300001607262	0	38	-2.0	-116.73	330.74	5.82	-110.91
O=C([O-])C1(CNC(=O)C2=C([O-])C3=CC=CC=C3C=N2)CCC1	REAL300001607283	1	36	-2.0	-121.43	305.21	6.61	-114.82
O=C([O-])C1(CNC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)CCC1	REAL300001607301	0	38	-2.0	-85.48	346.22	3.91	-81.57
O=C([O-])C1(CNC(=O)C2=CN=C(I)C([O-])=C2)CCC1	REAL300001607339	0	30	-2.0	-91.55	286.75	3.56	-87.99
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC3(C(=O)[O-])CCC3)=N2)=C1	REAL300001607388	0	41	-2.0	-124.88	349.09	6.40	-118.48
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC2(C(=O)[O-])CCC2)=N1	REAL300001607389	0	44	-2.0	-122.33	359.94	7.45	-114.88
CC1=C(CC(=O)NCC2(C(=O)[O-])CCC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001607430	1	44	-2.0	-102.90	370.74	4.60	-98.30
O=C([O-])C1(CNC(=O)C2=CC(F)=C([O-])C(Cl)=C2)CCC1	REAL300001607462	0	31	-2.0	-91.91	287.07	5.01	-86.90
CCOC1=CC(C(=O)NCC2(C(=O)[O-])CCC2)=CC(Cl)=C1[O-]	REAL300001607546	1	38	-2.0	-98.01	331.91	5.97	-92.04
O=C([O-])C1(CNC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])CCC1	REAL300001607550	0	41	-2.0	-129.17	355.54	7.10	-122.07
COC1=CC=C(N2C=C([O-])C(C(=O)NCC3(C(=O)[O-])CCC3)=N2)C=C1	REAL300001607557	0	42	-2.0	-120.92	355.12	4.96	-115.96
C[N-]S(=O)(=O)C1=CC(C(=O)NCC2(C(=O)[O-])CCC2)=CO1	REAL300001607574	1	35	-2.0	-91.85	316.83	0.19	-91.66
O=C([O-])C1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCC1	REAL300001607694	0	34	-2.0	-89.61	300.60	3.09	-86.52
O=C([O-])C1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC1	REAL300001607694	1	34	-2.0	-89.54	300.67	3.09	-86.45
O=C([O-])C1(CNC(=O)C2=CN=C(C3CCC3)[N-]C2=O)CCC1	REAL300001607954	1	39	-2.0	-114.03	319.87	4.50	-109.53
O=C([O-])C1(CNC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCC1	REAL300001608157	0	31	-2.0	-100.85	295.46	7.03	-93.82
CC1=C(C(=O)NCC2(C(=O)[O-])CCC2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300001608380	0	39	-2.0	-117.50	328.26	4.17	-113.33
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC(Cl)=CC(C(=O)[O-])=C2)=C1	REAL300001609167	1	38	-2.0	-113.55	354.85	5.34	-108.21
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300001609456	1	38	-2.0	-115.21	355.20	5.55	-109.66
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC(Cl)=CC(C(=O)[O-])=C2)O1	REAL300001609900	1	32	-2.0	-91.41	325.89	1.36	-90.05
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300001610155	0	35	-2.0	-113.48	333.74	4.65	-108.83
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=CC(Cl)=CC(C(=O)[O-])=C2)=CS1	REAL300001610493	1	39	-2.0	-116.73	367.93	5.76	-110.97
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300001610717	0	35	-2.0	-105.47	339.87	4.73	-100.74
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300001610722	1	41	-2.0	-115.81	376.70	6.34	-109.47
COC1=CC=C(C(=O)NC2=CC(Cl)=CC(C(=O)[O-])=C2)C([O-])=C1	REAL300001611301	1	32	-2.0	-127.02	300.58	6.34	-120.68
O=C([O-])C1=CC(Cl)=CC(NC(=O)C2=CC=C([O-])C(F)=C2)=C1	REAL300001611847	1	28	-2.0	-98.61	279.56	5.58	-93.03
O=C([O-])C1=CC(Cl)=CC(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])=C1	REAL300001611859	1	31	-2.0	-117.49	309.59	8.02	-109.47
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC(Cl)=CC(C(=O)[O-])=C2)C=N1	REAL300001611967	0	34	-2.0	-100.26	334.80	3.68	-96.58
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3=CC(Cl)=CC(C(=O)[O-])=C3)=N2)=C1	REAL300001612060	0	44	-2.0	-126.49	394.31	8.71	-117.78
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=CC(Cl)=CC(C(=O)[O-])=C3)=N2)C=C1	REAL300001612061	0	44	-2.0	-125.64	394.30	8.71	-116.93
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC(Cl)=CC(C(=O)[O-])=C2)=N1	REAL300001612155	0	38	-2.0	-122.28	361.31	7.84	-114.44
O=C([O-])C1=CC(Cl)=CC(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])=C1	REAL300001612160	0	35	-2.0	-105.24	340.53	6.86	-98.38
O=C([O-])C1=CC(Cl)=CC(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)=C1	REAL300001612201	0	33	-2.0	-105.60	313.68	7.66	-97.94
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC(Cl)=CC(C(=O)[O-])=C3)=N2)=C1	REAL300001612364	0	38	-2.0	-130.54	358.86	7.45	-123.09
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC(Cl)=CC(C(=O)[O-])=C2)=N1	REAL300001612365	0	41	-2.0	-127.76	368.24	8.60	-119.16
O=C([O-])C1=CC(Cl)=CC(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)=C1	REAL300001612504	0	28	-2.0	-96.26	295.26	6.15	-90.11
O=C([O-])C1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC(Cl)=C1	REAL300001612620	0	31	-2.0	-93.19	298.48	4.43	-88.76
O=C([O-])C1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC(Cl)=C1	REAL300001612620	1	31	-2.0	-93.23	298.54	4.44	-88.79
O=C([O-])C1=CC(Cl)=CC(NC(=O)C2=CC=C([O-])C(Cl)=C2)=C1	REAL300001612657	0	28	-2.0	-96.14	289.36	6.07	-90.07
CCOC1=CC(C(=O)NC2=CC(Cl)=CC(C(=O)[O-])=C2)=CC(Cl)=C1[O-]	REAL300001612661	1	35	-2.0	-99.85	340.11	7.11	-92.74
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC(Cl)=CC(C(=O)[O-])=C3)=N2)C=C1	REAL300001612671	0	39	-2.0	-125.45	363.59	6.10	-119.35
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC(Cl)=CC(C(=O)[O-])=C2)=CO1	REAL300001612695	1	32	-2.0	-107.22	325.34	1.33	-105.89
O=C([O-])C1=CC(Cl)=CC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)=C1	REAL300001612787	0	36	-2.0	-93.39	337.53	10.03	-83.36
O=C([O-])C1=CC(Cl)=CC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)=C1	REAL300001612787	1	36	-2.0	-93.33	337.47	10.03	-83.30
O=C([O-])C1=CC(Cl)=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300001612858	0	31	-2.0	-89.33	309.14	4.22	-85.11
O=C([O-])C1=CC(Cl)=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300001612858	1	31	-2.0	-89.38	309.07	4.21	-85.17
COCC1=NC=C(C(=O)NC2=CC(Cl)=CC(C(=O)[O-])=C2)C(=O)[N-]1	REAL300001613191	1	33	-2.0	-96.31	314.24	2.78	-93.53
O=C([O-])C1=CC(Cl)=CC(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=C1	REAL300001613558	0	28	-2.0	-91.57	303.95	8.06	-83.51
CC1=C(C(=O)NC2=CC(Cl)=CC(C(=O)[O-])=C2)C(=O)NC(C2=CC=CO2)=N1	REAL300001613865	0	36	-2.0	-99.78	337.83	5.23	-94.55
CC1=C(C(=O)NC2=CC(Cl)=CC(C(=O)[O-])=C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300001613865	1	36	-2.0	-99.78	337.83	5.23	-94.55
CC1=C(CCC(=O)NCC(C)C(=O)[O-])C(=O)NC(N2CCOCC2)=N1	REAL300001614300	0	47	-2.0	-100.92	380.46	4.95	-95.97
CC1=C(CCC(=O)NCC(C)C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300001614300	1	47	-2.0	-100.92	380.46	4.95	-95.97
CC1=CC=CC=C1NS(=O)(=O)C1=CC=C(C)C(C(=O)NCC(C)C(=O)[O-])=C1	REAL300001614344	0	47	-2.0	-96.31	397.94	6.42	-89.89
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)NCC(C)C(=O)[O-])=C1	REAL300001614344	1	47	-2.0	-96.31	397.94	6.42	-89.89
CC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)NCC(C)C(=O)[O-])C=C2)C=C1C	REAL300001614375	0	47	-2.0	-98.74	401.89	6.22	-92.52
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCC(C)C(=O)[O-])C=C2)C=C1C	REAL300001614375	1	47	-2.0	-98.74	401.89	6.22	-92.52
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC(C)C(=O)[O-])=C1	REAL300001614572	0	37	-2.0	-103.48	322.61	2.77	-100.71
CC(CNC(=O)C1=CC=CC(S(=O)(=O)NC2=CC=C(F)C=C2)=C1)C(=O)[O-]	REAL300001614788	0	41	-2.0	-99.70	368.39	5.01	-94.69
CC(CNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1)C(=O)[O-]	REAL300001614788	1	41	-2.0	-99.70	368.39	5.01	-94.69
CC1=CC=C(S(=O)(=O)NC2=CC=CC(C(=O)NCC(C)C(=O)[O-])=C2)C=C1F	REAL300001614816	0	44	-2.0	-99.96	389.56	5.69	-94.27
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NCC(C)C(=O)[O-])=C2)C=C1F	REAL300001614816	1	44	-2.0	-99.96	389.56	5.69	-94.27
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(C)C(=O)[O-]	REAL300001614835	0	37	-2.0	-105.00	323.57	3.00	-102.00
CC1=CC=C(C2=NNC(=S)N2CC(=O)NCC(C)C(=O)[O-])C=C1	REAL300001614871	0	39	-2.0	-110.47	345.55	7.92	-102.55
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC(C)C(=O)[O-])C=C1	REAL300001614871	1	39	-2.0	-110.47	345.55	7.92	-102.55
CC(CNC(=O)C1=CC=C(NS(=O)(=O)C2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300001614917	0	41	-2.0	-91.26	369.86	5.09	-86.17
CC(CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300001614917	1	41	-2.0	-91.26	369.86	5.09	-86.17
CC1=CC=CC=C1NS(=O)(=O)C1=CC=C(C(=O)NCC(C)C(=O)[O-])C=C1	REAL300001614919	0	44	-2.0	-93.94	383.53	5.78	-88.16
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(C)C(=O)[O-])C=C1	REAL300001614919	1	44	-2.0	-93.94	383.53	5.78	-88.16
CC1=CC=CC(NS(=O)(=O)C2=CC=C(C(=O)NCC(C)C(=O)[O-])C=C2)=C1C	REAL300001614923	0	47	-2.0	-94.99	399.73	6.29	-88.70
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(C)C(=O)[O-])C=C2)=C1C	REAL300001614923	1	47	-2.0	-94.99	399.73	6.29	-88.70
CC(CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300001615030	1	41	-2.0	-97.46	363.47	5.02	-92.44
CC(CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300001615031	1	44	-2.0	-103.85	393.02	5.72	-98.13
CC(CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300001615032	1	41	-2.0	-102.55	362.83	4.99	-97.56
CC1=CC(C(=O)NCC(C)C(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300001615047	0	37	-2.0	-82.54	343.20	3.15	-79.39
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(C)C(=O)[O-])C=C2)C=C1	REAL300001615155	1	44	-2.0	-94.55	385.03	5.69	-88.86
CC(CNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2)=C1)C(=O)[O-]	REAL300001615231	1	41	-2.0	-101.38	379.58	5.50	-95.88
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)NCC(C)C(=O)[O-])=C1	REAL300001615232	0	45	-2.0	-109.56	391.20	4.30	-105.26
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NCC(C)C(=O)[O-])=C2)C=C1	REAL300001615233	1	45	-2.0	-104.42	391.49	4.25	-100.17
CC(CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300001615238	0	38	-2.0	-99.13	354.58	3.99	-95.14
CC(CNC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300001615251	1	40	-2.0	-88.13	348.16	1.33	-86.80
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NCC(C)C(=O)[O-])=C2)C=C1	REAL300001615329	1	44	-2.0	-106.77	384.24	5.64	-101.13
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)NCC(C)C(=O)[O-])=CC=C2C)C=C1	REAL300001615336	1	47	-2.0	-106.77	399.68	6.43	-100.34
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCC(C)C(=O)[O-])C=C2)=CC=C1F	REAL300001615342	1	44	-2.0	-91.56	389.37	5.69	-85.87
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NCC(C)C(=O)[O-])C=C1	REAL300001615343	1	44	-2.0	-94.27	384.53	5.83	-88.44
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)NCC(C)C(=O)[O-])=CC=C1F	REAL300001615346	0	44	-2.0	-105.90	387.89	6.00	-99.90
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(C)C(=O)[O-])C=C1	REAL300001615373	0	45	-2.0	-97.45	392.05	4.33	-93.12
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2)C=C1C(=O)NCC(C)C(=O)[O-]	REAL300001615375	1	44	-2.0	-91.03	384.47	5.72	-85.31
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)NCC(C)C(=O)[O-])=CC=C2C)=C1	REAL300001615376	1	47	-2.0	-107.15	399.68	6.42	-100.73
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)NCC(C)C(=O)[O-])=C2)=C1	REAL300001615377	1	44	-2.0	-106.88	383.37	5.64	-101.24
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)NCC(C)C(=O)[O-])=C2)=C1	REAL300001615378	1	47	-2.0	-97.78	400.33	6.33	-91.45
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NCC(C)C(=O)[O-])=C2)=C1	REAL300001615383	1	47	-2.0	-102.14	398.85	6.40	-95.74
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC(C)C(=O)[O-])=C1	REAL300001615446	0	41	-2.0	-108.52	358.20	1.01	-107.51
CC(CNC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300001615489	0	34	-2.0	-103.55	302.91	2.13	-101.42
CC(CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C(=O)[O-]	REAL300001615499	0	38	-2.0	-100.63	353.89	3.99	-96.64
CC(CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300001615500	0	41	-2.0	-109.41	378.54	4.66	-104.75
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC(C)C(=O)[O-])=CS1	REAL300001615771	1	38	-2.0	-104.62	336.28	3.21	-101.41
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(C)C(=O)[O-])C=C2)C=C1	REAL300001615836	1	45	-2.0	-92.95	393.16	4.30	-88.65
CC(CNC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300001615914	0	34	-2.0	-96.27	307.63	2.15	-94.12
CC1=C(CC(=O)NCC(C)C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001615924	1	40	-2.0	-109.32	347.14	3.41	-105.91
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(C)C(=O)[O-]	REAL300001615927	0	40	-2.0	-105.51	345.06	3.79	-101.72
CC(CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300001616064	1	41	-2.0	-93.72	362.81	4.99	-88.73
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)NCC(C)C(=O)[O-])=C1	REAL300001616066	0	47	-2.0	-111.69	398.06	6.74	-104.95
CC(CNC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300001616381	0	40	-2.0	-108.12	347.11	4.35	-103.77
CC(CNC(=O)C1=CC(Br)=C([O-])C(Br)=C1)C(=O)[O-]	REAL300001616450	0	27	-2.0	-85.71	282.49	4.31	-81.40
CC(CNC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300001616546	0	33	-2.0	-94.42	303.15	1.13	-93.29
CC(CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300001616588	1	40	-2.0	-90.33	358.67	3.24	-87.09
CC(C)C1=CC(N2C=C([O-])C(C(=O)NCC(C)C(=O)[O-])=N2)=CC=C1	REAL300001616601	0	43	-2.0	-115.68	361.87	6.17	-109.51
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC(C)C(=O)[O-])=N2)C=C1	REAL300001616602	0	43	-2.0	-114.46	361.81	6.18	-108.28
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC(C)C(=O)[O-])=N1	REAL300001616637	0	37	-2.0	-111.49	329.33	5.27	-106.22
CC(CNC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300001616640	0	34	-2.0	-112.59	308.02	4.32	-108.27
CC(CNC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300001616660	0	34	-2.0	-87.30	323.50	2.41	-84.89
CC(CNC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300001616681	0	26	-2.0	-89.89	262.74	2.15	-87.74
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC(C)C(=O)[O-])=N2)=C1	REAL300001616714	0	37	-2.0	-118.91	326.36	4.91	-114.00
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC(C)C(=O)[O-])=N1	REAL300001616715	0	40	-2.0	-117.78	343.73	6.00	-111.78
CC1=C(CC(=O)NCC(C)C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001616731	1	40	-2.0	-107.76	346.42	3.36	-104.40
CCOC1=CC(C(=O)NCC(C)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300001616788	1	34	-2.0	-93.14	309.57	4.59	-88.55
CC(CNC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300001616792	0	37	-2.0	-119.14	332.39	5.71	-113.43
COC1=CC=C(N2C=C([O-])C(C(=O)NCC(C)C(=O)[O-])=N2)C=C1	REAL300001616801	0	38	-2.0	-114.48	331.09	3.56	-110.92
CC1=C(C(=O)NCC(C)C(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300001617264	0	35	-2.0	-98.96	307.22	2.71	-96.25
CC1=C(CCC(=O)NCC2(C(=O)[O-])CCCC2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300001617623	1	54	-2.0	-109.23	422.71	7.06	-102.17
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2(C(=O)[O-])CCCC2)=C1	REAL300001617976	0	44	-2.0	-105.97	364.90	4.86	-101.11
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1(C(=O)[O-])CCCC1	REAL300001618288	0	44	-2.0	-106.47	364.98	5.08	-101.39
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC2(C(=O)[O-])CCCC2)C=C1	REAL300001618338	1	46	-2.0	-115.74	387.33	10.01	-105.73
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2(C(=O)[O-])CCCC2)O1	REAL300001618790	1	47	-2.0	-102.11	390.72	3.34	-98.77
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2(C(=O)[O-])CCCC2)O1	REAL300001618791	1	38	-2.0	-100.71	335.95	0.89	-99.82
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2(C(=O)[O-])CCCC2)=C1	REAL300001619022	0	48	-2.0	-111.48	399.58	3.08	-108.40
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1(C(=O)[O-])CCCC1	REAL300001619068	0	41	-2.0	-105.13	343.51	4.19	-100.94
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC2(C(=O)[O-])CCCC2)=CS1	REAL300001619442	1	45	-2.0	-99.47	377.70	5.29	-94.18
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCC1(C(=O)[O-])CCCC1	REAL300001619677	0	41	-2.0	-100.03	349.92	4.26	-95.77
CC1=C(CC(=O)NCC2(C(=O)[O-])CCCC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001619682	1	47	-2.0	-106.12	388.55	5.50	-100.62
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1(C(=O)[O-])CCCC1	REAL300001619686	0	47	-2.0	-107.00	386.48	5.87	-101.13
CC1=C(C(=O)NCC2(C(=O)[O-])CCCC2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300001619757	1	47	-2.0	-116.50	367.60	5.69	-110.81
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NCC1(C(=O)[O-])CCCC1	REAL300001620507	0	47	-2.0	-109.12	389.39	6.46	-102.66
O=C([O-])C1(CNC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CCCC1	REAL300001620702	1	37	-2.0	-105.25	319.64	7.67	-97.58
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC2(C(=O)[O-])CCCC2)C=N1	REAL300001620801	0	40	-2.0	-103.52	344.56	3.22	-100.30
O=C([O-])C1(CNC(=O)C2=CN=C(C3CC3)[N-]C2=O)CCCC1	REAL300001620832	1	39	-2.0	-114.36	322.37	4.63	-109.73
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCC3(C(=O)[O-])CCCC3)=N2)=C1	REAL300001620886	0	50	-2.0	-125.45	404.16	8.27	-117.18
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC3(C(=O)[O-])CCCC3)=N2)C=C1	REAL300001620887	0	50	-2.0	-122.84	404.09	8.27	-114.57
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC2(C(=O)[O-])CCCC2)=N1	REAL300001620963	0	44	-2.0	-118.41	371.64	7.38	-111.03
O=C([O-])C1(CNC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CCCC1	REAL300001620968	0	41	-2.0	-118.73	350.31	6.42	-112.31
O=C([O-])C1(CNC(=O)C2=C([O-])C3=CC=CC=C3C=N2)CCCC1	REAL300001620992	1	39	-2.0	-123.34	323.46	7.30	-116.04
O=C([O-])C1(CNC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)CCCC1	REAL300001621012	0	41	-2.0	-87.96	365.78	4.51	-83.45
O=C([O-])C1(CNC(=O)C2=CN=C(I)C([O-])=C2)CCCC1	REAL300001621061	0	33	-2.0	-92.18	302.96	4.30	-87.88
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC3(C(=O)[O-])CCCC3)=N2)=C1	REAL300001621124	0	44	-2.0	-126.81	368.65	7.00	-119.81
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC2(C(=O)[O-])CCCC2)=N1	REAL300001621125	0	47	-2.0	-124.25	378.18	8.14	-116.11
CC1=C(CC(=O)NCC2(C(=O)[O-])CCCC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001621185	1	47	-2.0	-103.79	386.05	5.18	-98.61
O=C([O-])C1(CNC(=O)C2=CC(F)=C([O-])C(Cl)=C2)CCCC1	REAL300001621228	0	34	-2.0	-93.76	305.32	5.66	-88.10
COC1=C(C(=O)NCC2(C(=O)[O-])CCCC2)NC(=O)[N-]C1=O	REAL300001621236	1	37	-2.0	-95.58	311.47	0.77	-94.81
CCOC1=CC(C(=O)NCC2(C(=O)[O-])CCCC2)=CC(Cl)=C1[O-]	REAL300001621343	1	41	-2.0	-99.02	350.16	6.64	-92.38
O=C([O-])C1(CNC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])CCCC1	REAL300001621347	0	44	-2.0	-130.58	373.79	7.79	-122.79
COC1=CC=C(N2C=C([O-])C(C(=O)NCC3(C(=O)[O-])CCCC3)=N2)C=C1	REAL300001621355	0	45	-2.0	-122.59	373.37	5.65	-116.94
C[N-]S(=O)(=O)C1=CC(C(=O)NCC2(C(=O)[O-])CCCC2)=CO1	REAL300001621375	1	38	-2.0	-93.68	335.09	0.87	-92.81
O=C([O-])C1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCCC1	REAL300001621506	0	37	-2.0	-90.44	318.86	3.77	-86.67
O=C([O-])C1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCCC1	REAL300001621506	1	37	-2.0	-90.41	318.93	3.77	-86.64
COCC1=NC=C(C(=O)NCC2(C(=O)[O-])CCCC2)C(=O)[N-]1	REAL300001621778	1	39	-2.0	-112.60	324.21	2.28	-110.32
O=C([O-])C1(CNC(=O)C2=CN=C(C3CCC3)[N-]C2=O)CCCC1	REAL300001621817	1	42	-2.0	-114.52	338.12	5.17	-109.35
O=C([O-])C1(CNC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCCC1	REAL300001622078	0	34	-2.0	-102.90	313.72	7.70	-95.20
CC1=C(C(=O)NCC2(C(=O)[O-])CCCC2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300001622339	0	42	-2.0	-118.90	347.83	4.78	-114.12
CC1=C(CCC(=O)NCC(C)(C)C(=O)[O-])C(=O)NC(N2CCOCC2)=N1	REAL300001622752	0	50	-2.0	-101.38	397.64	5.67	-95.71
CC1=C(CCC(=O)NCC(C)(C)C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300001622752	1	50	-2.0	-101.38	397.64	5.67	-95.71
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300001623071	0	40	-2.0	-104.90	340.38	3.47	-101.43
CC(C)(CNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1)C(=O)[O-]	REAL300001623322	1	44	-2.0	-101.22	386.16	5.73	-95.49
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(C)(C)C(=O)[O-]	REAL300001623363	0	40	-2.0	-105.85	339.87	3.71	-102.14
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300001623401	1	42	-2.0	-110.88	362.45	8.61	-102.27
CC(C)(CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300001623451	1	44	-2.0	-91.34	385.36	5.76	-85.58
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300001623453	1	47	-2.0	-94.25	399.03	6.46	-87.79
CC(C)(CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300001623568	1	44	-2.0	-97.60	379.55	5.68	-91.92
CC(C)(CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300001623569	1	44	-2.0	-103.30	379.72	5.68	-97.62
CC1=CC(C(=O)NCC(C)(C)C(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300001623581	0	40	-2.0	-83.30	360.97	3.86	-79.44
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(C)(C)C(=O)[O-])C=C2)C=C1	REAL300001623707	1	47	-2.0	-94.90	400.53	6.35	-88.55
CC(C)(CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300001623791	0	41	-2.0	-99.91	371.47	4.68	-95.23
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(C)(C)C(=O)[O-])O1	REAL300001623808	1	43	-2.0	-88.19	365.62	1.95	-86.24
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(C)(C)C(=O)[O-])O1	REAL300001623809	1	34	-2.0	-87.58	311.44	-0.50	-88.08
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NCC(C)(C)C(=O)[O-])=C2)C=C1	REAL300001623921	1	47	-2.0	-107.67	400.55	6.34	-101.33
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)NCC(C)(C)C(=O)[O-])=C2)=C1	REAL300001623960	1	47	-2.0	-108.35	401.14	6.34	-102.01
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300001624032	0	44	-2.0	-109.28	374.79	1.70	-107.58
CC(C)(CNC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300001624080	0	37	-2.0	-104.53	318.99	2.80	-101.73
CC(C)(CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C(=O)[O-]	REAL300001624088	0	41	-2.0	-101.76	371.65	4.69	-97.07
CC(C)(CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300001624089	0	44	-2.0	-111.37	396.30	5.37	-106.00
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC(C)(C)C(=O)[O-])=CS1	REAL300001624403	1	41	-2.0	-106.17	353.17	3.90	-102.27
CC(C)(CNC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300001624577	0	37	-2.0	-97.49	325.40	2.86	-94.63
CC1=C(CC(=O)NCC(C)(C)C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001624586	1	43	-2.0	-110.65	363.45	4.11	-106.54
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(C)(C)C(=O)[O-]	REAL300001624591	0	43	-2.0	-106.30	361.37	4.50	-101.80
CC1=C(C(=O)NCC(C)(C)C(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300001624642	1	43	-2.0	-95.70	343.07	4.29	-91.41
CC(C)(CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300001624749	1	44	-2.0	-94.33	379.70	5.68	-88.65
CC(C)(CNC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300001625173	0	43	-2.0	-109.52	364.88	5.06	-104.46
CC(C)(CNC(=O)C1=CC(Br)=C([O-])C(Br)=C1)C(=O)[O-]	REAL300001625256	0	30	-2.0	-86.01	298.79	5.02	-80.99
CC(C)(CNC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300001625310	1	33	-2.0	-105.79	294.56	6.29	-99.50
CC(C)(CNC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300001625386	0	36	-2.0	-94.66	320.04	1.83	-92.83
CC(C)(CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300001625440	1	43	-2.0	-90.76	374.16	3.92	-86.84
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCC(C)(C)C(=O)[O-])=N2)=C1	REAL300001625455	0	46	-2.0	-116.76	379.64	6.87	-109.89
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC(C)(C)C(=O)[O-])=N2)C=C1	REAL300001625456	0	46	-2.0	-115.35	378.98	6.88	-108.47
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC(C)(C)C(=O)[O-])=N1	REAL300001625510	0	40	-2.0	-112.74	347.10	5.97	-106.77
CC(C)(CNC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300001625513	0	37	-2.0	-113.57	325.20	5.02	-108.55
CC(C)(CNC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300001625541	0	37	-2.0	-88.29	340.68	3.13	-85.16
CC(C)(CNC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300001625572	0	29	-2.0	-90.81	280.50	2.85	-87.96
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC(C)(C)C(=O)[O-])=N2)=C1	REAL300001625610	0	40	-2.0	-119.79	343.54	5.62	-114.17
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC(C)(C)C(=O)[O-])=N1	REAL300001625611	0	43	-2.0	-118.17	360.04	6.69	-111.48
CC1=C(CC(=O)NCC(C)(C)C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001625635	1	43	-2.0	-109.38	363.31	4.05	-105.33
CCOC1=CC(C(=O)NCC(C)(C)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300001625708	1	37	-2.0	-93.29	325.06	5.27	-88.02
CC(C)(CNC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300001625712	0	40	-2.0	-119.56	349.28	6.39	-113.17
COC1=CC=C(N2C=C([O-])C(C(=O)NCC(C)(C)C(=O)[O-])=N2)C=C1	REAL300001625718	0	41	-2.0	-115.38	348.27	4.26	-111.12
C[N-]S(=O)(=O)C1=CC(C(=O)NCC(C)(C)C(=O)[O-])=CO1	REAL300001625733	1	34	-2.0	-96.53	309.99	-0.52	-97.05
CC(C)(CNC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300001626195	0	30	-2.0	-101.55	288.62	6.33	-95.22
CC1=C(C(=O)NCC(C)(C)C(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300001626372	0	38	-2.0	-98.57	323.30	3.37	-95.20
COC1=CC=C(C(=O)NC2=CC=C(C(=O)N3CCC(C(=O)[O-])CC3)C=C2)C([O-])=C1	REAL300001627140	1	49	-2.0	-111.81	398.82	7.72	-104.09
O=C([O-])C1CCN(C(=O)C2=CC=C(NC(=O)C3=CC=C([O-])C(F)=C3)C=C2)CC1	REAL300001627347	1	45	-2.0	-96.89	378.03	6.99	-89.90
O=C([O-])C1CCN(C(=O)C2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C2)CC1	REAL300001627402	0	45	-2.0	-95.01	375.23	5.04	-89.97
O=C([O-])C1CCN(C(=O)C2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C2)CC1	REAL300001627402	1	45	-2.0	-95.05	375.29	5.06	-89.99
O=C([O-])C1CCN(C(=O)C2=CC=C(NC(=O)C3=CN=CC([O-])=C3)C=C2)CC1	REAL300001627458	1	44	-2.0	-100.64	366.62	5.08	-95.56
O=C([O-])C1CCN(C(=O)C2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2)CC1	REAL300001627686	0	48	-2.0	-104.49	396.73	5.83	-98.66
O=C([O-])C1CCN(C(=O)C2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2)CC1	REAL300001627686	1	48	-2.0	-104.51	396.78	5.84	-98.67
O=C([O-])C1CCN(C(=O)C2=CC=C(NC(=O)C3=C[N-]N=CC3=O)C=C2)CC1	REAL300001627858	0	43	-2.0	-85.52	359.36	5.53	-79.99
CC1=C(CCC(=O)NCC(CC(C)C)C(=O)[O-])C(=O)NC(N2CCOCC2)=N1	REAL300001628473	0	56	-2.0	-102.16	441.99	6.95	-95.21
CC1=C(CCC(=O)NCC(CC(C)C)C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300001628473	1	56	-2.0	-102.16	441.99	6.95	-95.21
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC(CC(C)C)C(=O)[O-])=C1	REAL300001628828	0	46	-2.0	-103.47	377.75	4.95	-98.52
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(CC(C)C)C(=O)[O-]	REAL300001629138	0	46	-2.0	-106.85	384.28	5.01	-101.84
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC(CC(C)C)C(=O)[O-])C=C1	REAL300001629188	1	48	-2.0	-102.34	402.42	10.06	-92.28
CC(C)CC(CNC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300001629640	1	49	-2.0	-101.34	408.88	3.33	-98.01
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(CC(C)C)C(=O)[O-])O1	REAL300001629641	1	40	-2.0	-97.11	350.15	0.88	-96.23
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC(CC(C)C)C(=O)[O-])=C1	REAL300001629872	0	50	-2.0	-115.26	417.08	3.03	-112.23
CC(C)CC(CNC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300001629918	0	43	-2.0	-105.21	362.79	4.11	-101.10
CC(C)CC(CNC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1)C(=O)[O-]	REAL300001630290	1	47	-2.0	-104.04	396.95	5.19	-98.85
CC(C)CC(CNC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300001630527	0	43	-2.0	-100.08	369.17	4.16	-95.92
CC1=C(CC(=O)NCC(CC(C)C)C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001630530	1	49	-2.0	-114.67	405.17	5.39	-109.28
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(CC(C)C)C(=O)[O-]	REAL300001630533	0	49	-2.0	-107.24	405.72	5.77	-101.47
CC1=C(C(=O)NCC(CC(C)C)C(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300001630604	1	49	-2.0	-112.59	382.64	5.60	-106.99
CC(C)CC(CNC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300001631368	0	49	-2.0	-106.74	402.24	6.53	-100.21
CC(C)CC(CNC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300001631562	1	39	-2.0	-103.75	333.85	7.66	-96.09
CC(C)CC(CNC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300001631663	0	42	-2.0	-103.73	363.84	3.14	-100.59
CC(C)CC(CNC(=O)C1=CN=C(C2CC2)[N-]C1=O)C(=O)[O-]	REAL300001631693	1	41	-2.0	-109.97	336.56	4.61	-105.36
CC(C)CC(CNC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-])C(=O)[O-]	REAL300001631747	0	52	-2.0	-124.54	423.46	8.18	-116.36
CC(C)CC(CNC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])C(=O)[O-]	REAL300001631748	0	52	-2.0	-122.06	423.34	8.17	-113.89
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC(CC(C)C)C(=O)[O-])=N1	REAL300001631826	0	46	-2.0	-117.72	390.87	7.26	-110.46
CC(C)CC(CNC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300001631831	0	43	-2.0	-115.87	363.15	6.50	-109.37
CC(C)CC(CNC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(=O)[O-]	REAL300001631857	1	41	-2.0	-122.87	342.77	7.20	-115.67
CC(C)CC(CNC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300001631877	0	43	-2.0	-85.55	378.62	4.58	-80.97
CC(C)CC(CNC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300001631926	0	35	-2.0	-93.19	324.32	4.16	-89.03
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC(CC(C)C)C(=O)[O-])=N2)=C1	REAL300001631991	0	46	-2.0	-123.82	381.49	7.08	-116.74
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC(CC(C)C)C(=O)[O-])=N1	REAL300001631992	0	49	-2.0	-122.53	398.21	8.14	-114.39
CC1=C(CC(=O)NCC(CC(C)C)C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001632052	1	49	-2.0	-114.00	407.07	5.34	-108.66
CC(C)CC(CNC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300001632097	0	36	-2.0	-91.06	319.52	5.68	-85.38
COC1=C(C(=O)NCC(CC(C)C)C(=O)[O-])NC(=O)[N-]C1=O	REAL300001632105	1	39	-2.0	-94.38	325.66	0.76	-93.62
CCOC1=CC(C(=O)NCC(CC(C)C)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300001632211	1	43	-2.0	-99.24	369.47	6.56	-92.68
CC(C)CC(CNC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300001632215	0	46	-2.0	-129.65	393.09	7.69	-121.96
COC1=CC=C(N2C=C([O-])C(C(=O)NCC(CC(C)C)C(=O)[O-])=N2)C=C1	REAL300001632223	0	47	-2.0	-121.84	392.67	5.56	-116.28
C[N-]S(=O)(=O)C1=CC(C(=O)NCC(CC(C)C)C(=O)[O-])=CO1	REAL300001632243	1	40	-2.0	-94.69	354.34	0.76	-93.93
CC(C)CC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300001632374	0	39	-2.0	-87.17	331.70	3.84	-83.33
CC(C)CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300001632374	1	39	-2.0	-87.16	331.77	3.85	-83.31
COCC1=NC=C(C(=O)NCC(CC(C)C)C(=O)[O-])C(=O)[N-]1	REAL300001632651	1	41	-2.0	-108.75	338.41	2.25	-106.50
CC(C)CC(CNC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(=O)[O-]	REAL300001632692	1	44	-2.0	-113.20	357.37	5.07	-108.13
CC(C)CC(CNC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300001632952	0	36	-2.0	-102.90	333.02	7.62	-95.28
CC1=C(C(=O)NCC(CC(C)C)C(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300001633212	0	44	-2.0	-114.82	362.02	4.77	-110.05
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300001634078	0	44	-2.0	-108.43	380.90	5.60	-102.83
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(C(=O)[O-])C1=CC=CC=C1	REAL300001634376	0	44	-2.0	-110.32	381.77	6.10	-104.22
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300001634421	1	46	-2.0	-107.25	403.34	10.74	-96.51
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(C(=O)[O-])C2=CC=CC=C2)O1	REAL300001634851	1	47	-2.0	-102.53	407.51	4.34	-98.19
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(C(=O)[O-])C2=CC=CC=C2)O1	REAL300001634852	1	38	-2.0	-100.31	349.94	1.79	-98.52
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(C(=O)[O-])C1=CC=CC=C1	REAL300001635121	0	41	-2.0	-108.82	360.30	5.20	-103.62
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC(C(=O)[O-])C2=CC=CC=C2)=CS1	REAL300001635471	1	45	-2.0	-103.24	393.68	6.02	-97.22
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCC(C(=O)[O-])C1=CC=CC=C1	REAL300001635707	0	41	-2.0	-101.97	365.02	5.34	-96.63
CC1=C(CC(=O)NCC(C(=O)[O-])C2=CC=CC=C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001635710	1	47	-2.0	-117.72	404.55	6.22	-111.50
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(C(=O)[O-])C1=CC=CC=C1	REAL300001635713	0	47	-2.0	-109.68	402.47	6.60	-103.08
CC1=C(C(=O)NCC(C(=O)[O-])C2=CC=CC=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300001635794	1	47	-2.0	-117.25	382.97	6.75	-110.50
O=C([O-])C(CNC(=O)C1=CC=C([O-])C(F)=C1)C1=CC=CC=C1	REAL300001636854	1	34	-2.0	-98.78	304.42	6.21	-92.57
O=C([O-])C(CNC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1=CC=CC=C1	REAL300001636865	1	37	-2.0	-109.48	336.44	8.68	-100.80
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC(C(=O)[O-])C2=CC=CC=C2)C=N1	REAL300001636972	0	40	-2.0	-105.30	360.55	3.95	-101.35
O=C([O-])C(CNC(=O)C1=CN=C(C2CC2)[N-]C1=O)C1=CC=CC=C1	REAL300001637008	1	39	-2.0	-115.63	339.15	5.63	-110.00
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCC(C(=O)[O-])C3=CC=CC=C3)=N2)=C1	REAL300001637066	0	50	-2.0	-126.49	418.14	9.18	-117.31
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC(C(=O)[O-])C3=CC=CC=C3)=N2)C=C1	REAL300001637067	0	50	-2.0	-126.10	420.88	9.27	-116.83
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300001637162	0	44	-2.0	-120.57	386.75	8.45	-112.12
O=C([O-])C(CNC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1=CC=CC=C1	REAL300001637167	0	41	-2.0	-120.66	366.30	7.14	-113.52
O=C([O-])C(CNC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=CC=CC=C1	REAL300001637205	1	39	-2.0	-125.96	339.45	8.01	-117.95
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC(C(=O)[O-])C3=CC=CC=C3)=N2)=C1	REAL300001637371	0	44	-2.0	-128.50	384.64	7.72	-120.78
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300001637372	0	47	-2.0	-127.42	401.14	8.81	-118.61
CC1=C(CC(=O)NCC(C(=O)[O-])C2=CC=CC=C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001637449	1	47	-2.0	-116.35	403.82	6.17	-110.18
O=C([O-])C(CNC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=CC=CC=C1	REAL300001637509	0	34	-2.0	-94.07	319.32	6.57	-87.50
COC1=C(C(=O)NCC(C(=O)[O-])C2=CC=CC=C2)NC(=O)[N-]C1=O	REAL300001637525	1	37	-2.0	-97.90	328.08	1.77	-96.13
O=C([O-])C(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL300001637626	0	37	-2.0	-98.43	325.05	4.98	-93.45
O=C([O-])C(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL300001637626	1	37	-2.0	-98.46	325.11	5.00	-93.46
O=C([O-])C(CNC(=O)C1=CC=C([O-])C(Cl)=C1)C1=CC=CC=C1	REAL300001637662	0	34	-2.0	-95.90	314.22	6.70	-89.20
CCOC1=CC(C(=O)NCC(C(=O)[O-])C2=CC=CC=C2)=CC(Cl)=C1[O-]	REAL300001637665	1	41	-2.0	-100.76	366.16	7.37	-93.39
COC1=CC=C(N2C=C([O-])C(C(=O)NCC(C(=O)[O-])C3=CC=CC=C3)=N2)C=C1	REAL300001637675	0	45	-2.0	-123.64	387.36	6.56	-117.08
C[N-]S(=O)(=O)C1=CC(C(=O)NCC(C(=O)[O-])C2=CC=CC=C2)=CO1	REAL300001637699	1	38	-2.0	-96.85	351.88	1.87	-94.98
O=C([O-])C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=C1	REAL300001637865	0	37	-2.0	-92.10	335.64	4.78	-87.32
O=C([O-])C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=C1	REAL300001637865	1	37	-2.0	-92.08	335.73	4.79	-87.29
COCC1=NC=C(C(=O)NCC(C(=O)[O-])C2=CC=CC=C2)C(=O)[N-]1	REAL300001638197	1	39	-2.0	-113.91	340.21	2.99	-110.92
O=C([O-])C(CNC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1=CC=CC=C1	REAL300001638245	1	42	-2.0	-115.94	354.92	6.18	-109.76
O=C([O-])C(CNC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=CC=CC=C1	REAL300001638566	0	34	-2.0	-104.19	327.71	8.61	-95.58
CC1=CC=C(NS(C)(=O)=O)C(C(=O)NC2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300001639808	0	41	-2.0	-122.69	354.23	5.35	-117.34
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300001639808	1	41	-2.0	-122.69	354.23	5.35	-117.34
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(C)C(C(=O)[O-])=C1	REAL300001640123	1	41	-2.0	-123.99	354.55	5.58	-118.41
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2=CC=C(C)C(C(=O)[O-])=C2)C=C1	REAL300001640173	1	43	-2.0	-136.88	376.49	10.51	-126.37
CC1=CC=C(NC(=O)C2=CC=C(S(=O)(=O)[N-]C(C)(C)C)O2)C=C1C(=O)[O-]	REAL300001640622	1	44	-2.0	-99.16	380.03	3.83	-95.33
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(C)C(C(=O)[O-])=C2)O1	REAL300001640623	1	35	-2.0	-98.36	325.27	1.39	-96.97
CC1=CC=C(NC(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)C=C1C(=O)[O-]	REAL300001640898	0	38	-2.0	-122.21	333.08	4.68	-117.53
CC1=CC=C(NC(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)C=C1C(=O)[O-]	REAL300001641269	1	42	-2.0	-130.68	370.88	5.88	-124.80
CC1=CC=C(NC(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)C=C1C(=O)[O-]	REAL300001641505	0	38	-2.0	-114.10	339.24	4.75	-109.35
CC1=CC=C(NC(=O)CC2=C(C)N=C(C3=CC=CN=C3)[N-]C2=O)C=C1C(=O)[O-]	REAL300001641508	1	44	-2.0	-133.18	376.64	5.93	-127.25
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(C)C(C(=O)[O-])=C1	REAL300001641511	1	44	-2.0	-124.65	376.05	6.36	-118.29
CC1=CC=C(NC(=O)C2=C(C)N=C(C(C)(C)C)[N-]C2=O)C=C1C(=O)[O-]	REAL300001641590	1	44	-2.0	-105.24	357.39	6.18	-99.06
COC1=CC=C(C(=O)NC2=CC=C(C)C(C(=O)[O-])=C2)C([O-])=C1	REAL300001642065	1	35	-2.0	-137.18	299.94	6.37	-130.81
CC1=CC=C(NC(=O)C2=CC3=CC=CC=C3C=C2[N-]S(C)(=O)=O)C=C1C(=O)[O-]	REAL300001642400	0	44	-2.0	-128.30	378.87	6.93	-121.37
CC1=CC=C(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C=C1C(=O)[O-]	REAL300001642602	1	34	-2.0	-127.46	308.97	8.04	-119.42
CC1=CC=C(NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C=C1C(=O)[O-]	REAL300001642710	0	37	-2.0	-107.65	333.88	3.71	-103.94
CC1=CC=C(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)C=C1C(=O)[O-]	REAL300001642743	1	36	-2.0	-99.06	315.13	5.20	-93.86
CC1=CC=C(NC(=O)C2=NN(C3=CC=CC(C(C)C)=C3)C=C2[O-])C=C1C(=O)[O-]	REAL300001642799	0	47	-2.0	-136.98	393.47	8.74	-128.24
CC1=CC=C(NC(=O)C2=NN(C3=CC=C(C(C)C)C=C3)C=C2[O-])C=C1C(=O)[O-]	REAL300001642800	0	47	-2.0	-136.06	393.39	8.74	-127.32
CC1=CC=C(NC(=O)C2=NN(C3=CC=C(F)C=C3C)C=C2[O-])C=C1C(=O)[O-]	REAL300001642885	0	41	-2.0	-133.08	360.46	7.86	-125.22
CC1=CC=C(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C=C1C(=O)[O-]	REAL300001642890	0	38	-2.0	-134.71	339.62	6.89	-127.82
CC1=CC=C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C=C1C(=O)[O-]	REAL300001642918	0	36	-2.0	-137.23	313.04	7.69	-129.54
CC1=CC=C(NC(=O)C2=CN=C(I)C([O-])=C2)C=C1C(=O)[O-]	REAL300001642992	0	30	-2.0	-108.63	294.35	4.72	-103.91
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC=C(C)C(C(=O)[O-])=C3)=N2)=C1	REAL300001643058	0	41	-2.0	-141.19	357.96	7.47	-133.72
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(C)C(C(=O)[O-])=C2)=N1	REAL300001643059	0	44	-2.0	-138.68	374.40	8.58	-130.10
CC1=CC=C(NC(=O)CC2=C(C)N=C(C3=CC=NC=C3)[N-]C2=O)C=C1C(=O)[O-]	REAL300001643127	1	44	-2.0	-131.92	376.83	5.92	-126.00
CC1=CC=C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C=C1C(=O)[O-]	REAL300001643176	0	31	-2.0	-104.27	297.97	6.24	-98.03
CC1=CC=C(NC(=O)C2=CC=C([O-])C(Cl)=C2)C=C1C(=O)[O-]	REAL300001643303	0	31	-2.0	-103.53	288.44	6.10	-97.43
CCOC1=CC(C(=O)NC2=CC=C(C)C(C(=O)[O-])=C2)=CC(Cl)=C1[O-]	REAL300001643307	1	38	-2.0	-108.18	342.82	7.22	-100.96
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(C)C(C(=O)[O-])=C3)=N2)C=C1	REAL300001643319	0	42	-2.0	-135.80	362.69	6.11	-129.69
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=C(C)C(C(=O)[O-])=C2)=CO1	REAL300001643340	1	35	-2.0	-114.72	324.57	1.36	-113.36
CC1=CC=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)C=C1C(=O)[O-]	REAL300001643421	0	39	-2.0	-119.04	337.02	10.04	-109.00
CC1=CC=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)C=C1C(=O)[O-]	REAL300001643421	1	39	-2.0	-119.07	336.97	10.07	-109.00
CC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1C(=O)[O-]	REAL300001643484	0	34	-2.0	-95.93	308.49	4.25	-91.68
CC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1C(=O)[O-]	REAL300001643484	1	34	-2.0	-95.95	308.43	4.24	-91.71
COCC1=NC=C(C(=O)NC2=CC=C(C)C(C(=O)[O-])=C2)C(=O)[N-]1	REAL300001643787	1	36	-2.0	-98.09	316.98	2.85	-95.24
CC1=CC=C(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C=C1C(=O)[O-]	REAL300001643830	1	39	-2.0	-99.11	330.88	5.75	-93.36
CC1=CC=C(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C=C1C(=O)[O-]	REAL300001644118	0	31	-2.0	-121.67	303.04	8.09	-113.58
CC1=CC=C(NC(=O)C2=C(C)N=C(C3=CC=CO3)[N-]C2=O)C=C1C(=O)[O-]	REAL300001644399	0	39	-2.0	-108.37	337.62	5.26	-103.11
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCCC2=CC=C(OCC(=O)[O-])C=C2)O1	REAL300001645758	1	42	-2.0	-89.37	387.82	2.02	-87.35
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCC1=CC=C(OCC(=O)[O-])C=C1	REAL300001645948	0	45	-2.0	-102.40	395.37	5.31	-97.09
CC1=C(C(=O)NCCC2=CC=C(OCC(=O)[O-])C=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300001646480	1	51	-2.0	-89.57	419.46	6.80	-82.77
O=C([O-])COC1=CC=C(CCNC(=O)C2=CC=C([O-])C(F)=C2)C=C1	REAL300001647477	1	38	-2.0	-94.28	341.18	6.25	-88.03
O=C([O-])COC1=CC=C(CCNC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C=C1	REAL300001647490	1	41	-2.0	-103.57	371.51	8.79	-94.78
O=C([O-])COC1=CC=C(CCNC(=O)CCC2=N[N-]N=N2)C=C1	REAL300001647546	0	38	-2.0	-91.41	338.63	4.31	-87.10
O=C([O-])COC1=CC=C(CCNC(=O)CCC2=NN=N[N-]2)C=C1	REAL300001647546	1	38	-2.0	-91.42	338.69	4.33	-87.09
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCCC2=CC=C(OCC(=O)[O-])C=C2)C=N1	REAL300001647626	0	44	-2.0	-94.87	396.42	4.34	-90.53
O=C([O-])COC1=CC=C(CCNC(=O)C2=CN=C(C3CC3)[N-]C2=O)C=C1	REAL300001647657	1	43	-2.0	-89.50	373.99	5.80	-83.70
O=C([O-])COC1=CC=C(CCNC(=O)C2=CN=CC([O-])=C2)C=C1	REAL300001647696	1	37	-2.0	-97.66	330.03	4.36	-93.30
O=C([O-])COC1=CC=C(CCNC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C=C1	REAL300001647808	0	45	-2.0	-110.76	402.17	7.53	-103.23
O=C([O-])COC1=CC=C(CCNC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C=C1	REAL300001647854	1	43	-2.0	-109.91	375.33	8.42	-101.49
O=C([O-])COC1=CC=C(CCNC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C=C1	REAL300001648142	0	38	-2.0	-92.40	357.19	6.80	-85.60
COC1=C(C(=O)NCCC2=CC=C(OCC(=O)[O-])C=C2)NC(=O)[N-]C1=O	REAL300001648161	1	41	-2.0	-94.59	363.33	1.89	-92.70
O=C([O-])COC1=CC=C(CCNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300001648257	0	41	-2.0	-100.36	360.13	5.09	-95.27
O=C([O-])COC1=CC=C(CCNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300001648257	1	41	-2.0	-100.30	360.19	5.11	-95.19
O=C([O-])COC1=CC=C(CCNC(=O)C2=CC=C([O-])C(Cl)=C2)C=C1	REAL300001648292	0	38	-2.0	-91.03	350.98	6.74	-84.29
CCOC1=CC(C(=O)NCCC2=CC=C(OCC(=O)[O-])C=C2)=CC(Cl)=C1[O-]	REAL300001648296	1	45	-2.0	-95.13	402.03	7.77	-87.36
C[N-]S(=O)(=O)C1=CC(C(=O)NCCC2=CC=C(OCC(=O)[O-])C=C2)=CO1	REAL300001648329	1	42	-2.0	-100.11	386.96	1.99	-98.12
O=C([O-])COC1=CC=C(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300001648489	0	41	-2.0	-86.44	370.72	4.90	-81.54
O=C([O-])COC1=CC=C(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300001648489	1	41	-2.0	-86.43	370.79	4.90	-81.53
O=C([O-])COC1=CC=C(CCNC(=O)C2=C[N-]N=CC2=O)C=C1	REAL300001648766	0	36	-2.0	-82.23	322.24	4.79	-77.44
COCC1=NC=C(C(=O)NCCC2=CC=C(OCC(=O)[O-])C=C2)C(=O)[N-]1	REAL300001648799	1	43	-2.0	-88.88	376.08	3.40	-85.48
O=C([O-])COC1=CC=C(CCNC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C=C1	REAL300001648847	1	46	-2.0	-89.06	389.99	6.29	-82.77
O=C([O-])COC1=CC=C(CCNC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C=C1	REAL300001649149	0	38	-2.0	-98.89	365.58	8.83	-90.06
COC1=CC=C(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C([O-])=C1	REAL300001651318	1	38	-2.0	-136.80	344.22	3.35	-133.45
CS(=O)(=O)C1=CC(NC(=O)C2=CC=C([O-])C(F)=C2)=CC(C(=O)[O-])=C1	REAL300001651756	1	34	-2.0	-110.46	323.48	2.60	-107.86
CS(=O)(=O)C1=CC(NC(=O)CCC2=N[N-]N=N2)=CC(C(=O)[O-])=C1	REAL300001651827	0	34	-2.0	-107.46	320.64	0.68	-106.78
CS(=O)(=O)C1=CC(NC(=O)CCC2=NN=N[N-]2)=CC(C(=O)[O-])=C1	REAL300001651827	1	34	-2.0	-107.43	320.70	0.69	-106.74
CS(=O)(=O)C1=CC(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)=CC(C(=O)[O-])=C1	REAL300001651905	1	39	-2.0	-107.90	356.06	2.20	-105.70
CS(=O)(=O)C1=CC(NC(=O)C2=CN=CC([O-])=C2)=CC(C(=O)[O-])=C1	REAL300001651925	1	33	-2.0	-117.55	312.30	0.72	-116.83
CS(=O)(=O)C1=CC(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)=CC(C(=O)[O-])=C1	REAL300001652039	0	39	-2.0	-140.37	357.60	4.68	-135.69
CS(=O)(=O)C1=CC(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)=CC(C(=O)[O-])=C1	REAL300001652289	0	34	-2.0	-106.07	339.19	3.16	-102.91
CS(=O)(=O)C1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC(C(=O)[O-])=C1	REAL300001652391	0	37	-2.0	-120.43	342.14	1.46	-118.97
CS(=O)(=O)C1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC(C(=O)[O-])=C1	REAL300001652391	1	37	-2.0	-120.43	342.20	1.47	-118.96
CS(=O)(=O)C1=CC(NC(=O)C2=CC=C([O-])C(Cl)=C2)=CC(C(=O)[O-])=C1	REAL300001652422	0	34	-2.0	-108.04	333.28	3.09	-104.95
CS(=O)(=O)C1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC(C(=O)[O-])=C1	REAL300001652562	0	37	-2.0	-100.46	353.06	1.24	-99.22
CS(=O)(=O)C1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC(C(=O)[O-])=C1	REAL300001652562	1	37	-2.0	-100.54	352.98	1.23	-99.31
CS(=O)(=O)C1=CC(NC(=O)C2=C[N-]N=CC2=O)=CC(C(=O)[O-])=C1	REAL300001652763	0	32	-2.0	-100.55	304.24	1.16	-99.39
COCC1=NC=C(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C(=O)[N-]1	REAL300001652789	1	39	-2.0	-107.33	358.16	-0.21	-107.54
CS(=O)(=O)C1=CC(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)=CC(C(=O)[O-])=C1	REAL300001652828	1	42	-2.0	-109.13	372.23	2.64	-106.49
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC(F)(C(=O)[O-])C2)=C1	REAL300001654110	0	38	-2.0	-103.33	331.11	3.80	-99.53
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(F)(C(=O)[O-])C1	REAL300001654415	0	38	-2.0	-103.01	333.75	4.06	-98.95
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCC(F)(C(=O)[O-])C2)C=C1	REAL300001654462	1	40	-2.0	-106.55	355.54	9.42	-97.13
O=C([O-])C1(F)CCN(C(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3)C=C2)C1	REAL300001654645	1	42	-2.0	-95.66	368.76	6.07	-89.59
O=C([O-])C1(F)CCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)C1	REAL300001654646	1	42	-2.0	-95.21	368.71	6.08	-89.13
CC1=CC(C(=O)N2CCC(F)(C(=O)[O-])C2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300001654659	0	38	-2.0	-86.35	348.51	4.21	-82.14
O=C([O-])C1(F)CCN(C(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CS3)C=C2)C1	REAL300001654889	0	39	-2.0	-97.27	360.68	5.07	-92.20
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(F)(C(=O)[O-])C2)O1	REAL300001654908	1	41	-2.0	-87.08	355.99	2.79	-84.29
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(F)(C(=O)[O-])C2)O1	REAL300001654909	1	32	-2.0	-86.23	301.22	0.34	-85.89
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC(F)(C(=O)[O-])C2)=C1	REAL300001655144	0	42	-2.0	-109.52	366.50	1.99	-107.53
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(F)(C(=O)[O-])C1	REAL300001655188	0	35	-2.0	-101.55	312.27	3.14	-98.41
O=C([O-])C1(F)CCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CS3)=C2)C1	REAL300001655196	0	39	-2.0	-96.21	359.03	5.03	-91.18
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC(F)(C(=O)[O-])C2)=CS1	REAL300001655549	1	39	-2.0	-102.49	345.95	4.73	-97.76
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCC(F)(C(=O)[O-])C1	REAL300001655768	0	35	-2.0	-95.82	316.15	3.19	-92.63
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(F)(C(=O)[O-])C1	REAL300001655780	0	41	-2.0	-103.54	355.25	4.84	-98.70
O=C([O-])C1(F)CCN(C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3)C=C2)C1	REAL300001655940	1	42	-2.0	-91.95	368.93	6.06	-85.89
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)N1CCC(F)(C(=O)[O-])C1	REAL300001656497	0	41	-2.0	-107.82	356.54	5.35	-102.47
O=C([O-])C1(F)CCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300001656673	1	31	-2.0	-102.32	288.38	6.02	-96.30
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC(F)(C(=O)[O-])C2)C=N1	REAL300001656764	0	34	-2.0	-95.78	307.65	2.19	-93.59
O=C([O-])C1(F)CCN(C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=NC=C3)C=C2)C1	REAL300001656826	1	41	-2.0	-88.44	363.99	4.29	-84.15
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC(F)(C(=O)[O-])C3)=N2)=C1	REAL300001656841	0	44	-2.0	-114.39	369.41	7.89	-106.50
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC(F)(C(=O)[O-])C3)=N2)C=C1	REAL300001656842	0	44	-2.0	-113.31	369.34	7.90	-105.41
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC(F)(C(=O)[O-])C2)=N1	REAL300001656910	0	38	-2.0	-110.44	336.91	7.01	-103.43
O=C([O-])C1(F)CCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1	REAL300001656914	0	35	-2.0	-110.55	316.58	6.00	-104.55
O=C([O-])C1(F)CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300001656936	1	33	-2.0	-115.01	288.32	7.20	-107.81
O=C([O-])C1(F)CCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)C1	REAL300001656954	0	35	-2.0	-81.02	330.25	3.50	-77.52
O=C([O-])C1(F)CCN(C(=O)C2=CN=C(I)C([O-])=C2)C1	REAL300001656996	0	27	-2.0	-87.52	268.07	3.15	-84.37
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC(F)(C(=O)[O-])C3)=N2)=C1	REAL300001657048	0	38	-2.0	-116.78	334.92	6.60	-110.18
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC(F)(C(=O)[O-])C2)=N1	REAL300001657049	0	41	-2.0	-116.04	347.91	7.57	-108.47
O=C([O-])C1(F)CCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300001657129	0	28	-2.0	-86.63	268.57	4.61	-82.02
COC1=C(C(=O)N2CCC(F)(C(=O)[O-])C2)NC(=O)[N-]C1=O	REAL300001657133	1	31	-2.0	-87.71	275.51	0.35	-87.36
CCOC1=CC(C(=O)N2CCC(F)(C(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300001657218	1	35	-2.0	-91.54	313.41	5.59	-85.95
O=C([O-])C1(F)CCN(C(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])C1	REAL300001657222	0	38	-2.0	-117.93	342.35	7.18	-110.75
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC(F)(C(=O)[O-])C3)=N2)C=C1	REAL300001657230	0	39	-2.0	-113.34	338.62	5.28	-108.06
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(F)(C(=O)[O-])C2)=CO1	REAL300001657248	1	32	-2.0	-88.01	298.06	-0.04	-88.05
O=C([O-])C1(F)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300001657368	0	31	-2.0	-82.58	283.75	3.67	-78.91
O=C([O-])C1(F)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300001657368	1	31	-2.0	-82.55	283.82	3.68	-78.87
O=C([O-])C1(F)CCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300001657865	0	28	-2.0	-98.23	282.45	6.08	-92.15
CC1=C(C(=O)N2CCC(F)(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300001658100	1	36	-2.0	-107.44	324.50	3.78	-103.66
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300001659549	1	41	-2.0	-123.95	355.89	5.67	-118.28
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC(C(=O)[O-])=CC=C1C	REAL300001659864	1	41	-2.0	-125.35	355.96	5.90	-119.45
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2=CC(C(=O)[O-])=CC=C2C)C=C1	REAL300001659914	1	43	-2.0	-136.68	378.90	10.85	-125.83
CC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300001660363	1	44	-2.0	-99.42	381.11	4.08	-95.34
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC(C(=O)[O-])=CC=C2C)O1	REAL300001660364	1	35	-2.0	-98.84	326.93	1.70	-97.14
CC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O	REAL300001660639	0	38	-2.0	-123.64	334.50	5.00	-118.64
CC1=CC=C(C(=O)[O-])C=C1NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1	REAL300001661010	1	42	-2.0	-126.48	368.69	6.09	-120.39
CC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O	REAL300001661246	0	38	-2.0	-115.20	340.91	5.06	-110.14
CC1=CC=C(C(=O)[O-])C=C1NC(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O	REAL300001661249	1	44	-2.0	-127.49	378.62	6.24	-121.25
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC(C(=O)[O-])=CC=C1C	REAL300001661252	1	44	-2.0	-125.96	377.46	6.69	-119.27
CC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=C(C)N=C(C(C)(C)C)[N-]C1=O	REAL300001661331	1	44	-2.0	-106.35	359.93	6.47	-99.88
COC1=CC=C(C(=O)NC2=CC(C(=O)[O-])=CC=C2C)C([O-])=C1	REAL300001661806	1	35	-2.0	-138.61	301.34	6.66	-131.95
CC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O	REAL300001662141	0	44	-2.0	-128.69	380.64	7.24	-121.45
CC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300001662343	1	34	-2.0	-128.68	310.63	8.35	-120.33
CC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300001662451	0	37	-2.0	-107.96	334.96	3.98	-103.98
CC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300001662484	1	36	-2.0	-106.85	312.59	5.40	-101.45
CC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-]	REAL300001662540	0	47	-2.0	-136.70	395.41	9.04	-127.66
CC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-]	REAL300001662541	0	47	-2.0	-135.83	395.34	9.04	-126.79
CC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-]	REAL300001662626	0	41	-2.0	-134.25	356.12	8.09	-126.16
CC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300001662631	0	38	-2.0	-134.55	341.56	7.19	-127.36
CC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300001662659	0	36	-2.0	-138.65	314.44	7.97	-130.68
CC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CN=C(I)C([O-])=C1	REAL300001662733	0	30	-2.0	-109.21	296.02	5.04	-104.17
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC(C(=O)[O-])=CC=C3C)=N2)=C1	REAL300001662799	0	41	-2.0	-141.20	360.59	7.83	-133.37
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC(C(=O)[O-])=CC=C2C)=N1	REAL300001662800	0	44	-2.0	-139.07	369.83	8.96	-130.11
CC1=CC=C(C(=O)[O-])C=C1NC(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O	REAL300001662868	1	44	-2.0	-125.66	378.80	6.23	-119.43
CC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300001662917	0	31	-2.0	-104.18	295.73	6.43	-97.75
CC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300001663044	0	31	-2.0	-106.48	291.07	6.45	-100.03
CCOC1=CC(C(=O)NC2=CC(C(=O)[O-])=CC=C2C)=CC(Cl)=C1[O-]	REAL300001663048	1	38	-2.0	-108.08	340.57	7.41	-100.67
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC(C(=O)[O-])=CC=C3C)=N2)C=C1	REAL300001663060	0	42	-2.0	-135.59	364.63	6.42	-129.17
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC(C(=O)[O-])=CC=C2C)=CO1	REAL300001663081	1	35	-2.0	-115.21	325.50	1.61	-113.60
CC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=C(C(=O)C2=CC=CC=C2)N=C[N-]1	REAL300001663162	0	39	-2.0	-119.06	339.51	10.41	-108.65
CC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=C(C(=O)C2=CC=CC=C2)[N-]C=N1	REAL300001663162	1	39	-2.0	-119.15	339.46	10.40	-108.75
CC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300001663225	0	34	-2.0	-96.66	309.90	4.58	-92.08
CC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300001663225	1	34	-2.0	-96.69	309.84	4.57	-92.12
COCC1=NC=C(C(=O)NC2=CC(C(=O)[O-])=CC=C2C)C(=O)[N-]1	REAL300001663528	1	36	-2.0	-106.53	314.42	3.06	-103.47
CC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300001663571	1	39	-2.0	-106.79	328.33	5.94	-100.85
CC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300001663859	0	31	-2.0	-123.37	304.71	8.39	-114.98
CC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=C(C)N=C(C2=CC=CO2)[N-]C1=O	REAL300001664140	0	39	-2.0	-109.29	338.77	5.58	-103.71
O=C([O-])C1=CC=C(S(=O)(=O)N2CCN(C(=O)CCC3=N[N-]N=N3)CC2)C=C1	REAL300001664815	0	43	-2.0	-93.26	376.25	3.11	-90.15
O=C([O-])C1=CC=C(S(=O)(=O)N2CCN(C(=O)CCC3=NN=N[N-]3)CC2)C=C1	REAL300001664815	1	43	-2.0	-93.26	376.25	3.11	-90.15
O=C([O-])C1=CC=C(S(=O)(=O)N2CCN(C(=O)C3=CN=CC(O)=C3)CC2)C=C1	REAL300001664839	0	42	-2.0	-96.02	366.74	2.71	-93.31
O=C([O-])C1=CC=C(S(=O)(=O)N2CCN(C(=O)C3=CN=CC([O-])=C3)CC2)C=C1	REAL300001664839	1	42	-2.0	-96.02	366.74	2.71	-93.31
O=C([O-])C1=CC=C(S(=O)(=O)N2CCN(C(=O)C3=C[N-]N=CC3=O)CC2)C=C1	REAL300001664963	0	41	-2.0	-90.48	360.50	3.11	-87.37
CC1=C(CCC(=O)NC2=CC=CC(C(=O)[O-])=C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300001665317	1	48	-2.0	-113.97	395.96	7.01	-106.96
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300001665667	1	38	-2.0	-122.26	338.41	4.82	-117.44
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=CC(C(=O)[O-])=C1	REAL300001665975	1	38	-2.0	-123.70	338.47	5.04	-118.66
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300001666022	1	40	-2.0	-135.00	360.00	9.96	-125.04
O=C([O-])C1=CC=CC(NC(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3)C=C2)=C1	REAL300001666205	1	42	-2.0	-110.42	377.56	7.02	-103.40
O=C([O-])C1=CC=CC(NC(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)=C1	REAL300001666206	1	42	-2.0	-120.71	377.74	7.01	-113.70
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC(C(=O)[O-])=C2)O1	REAL300001666471	1	41	-2.0	-99.15	364.90	3.24	-95.91
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC(C(=O)[O-])=C2)O1	REAL300001666472	1	32	-2.0	-98.24	309.45	0.83	-97.41
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300001666706	0	42	-2.0	-125.25	372.84	3.08	-122.17
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=CC(C(=O)[O-])=C1	REAL300001666751	0	35	-2.0	-121.92	317.01	4.14	-117.78
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=CC=CC(C(=O)[O-])=C2)=CS1	REAL300001667118	1	39	-2.0	-125.09	350.92	5.26	-119.83
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1=CC=CC(C(=O)[O-])=C1	REAL300001667342	0	35	-2.0	-113.53	323.15	4.22	-109.31
CC1=C(CC(=O)NC2=CC=CC(C(=O)[O-])=C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001667349	1	41	-2.0	-124.96	361.13	5.40	-119.56
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=CC(C(=O)[O-])=C1	REAL300001667354	1	41	-2.0	-124.33	359.97	5.83	-118.50
CC1=C(C(=O)NC2=CC=CC(C(=O)[O-])=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300001667420	1	41	-2.0	-104.74	341.94	5.64	-99.10
O=C([O-])C1=CC=CC(NC(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3)C=C2)=C1	REAL300001667518	1	42	-2.0	-109.09	377.74	7.01	-102.08
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NC1=CC=CC(C(=O)[O-])=C1	REAL300001668103	0	41	-2.0	-127.86	362.61	6.41	-121.45
O=C([O-])C1=CC=CC(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])=C1	REAL300001668287	1	31	-2.0	-126.48	293.15	7.52	-118.96
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300001668382	0	34	-2.0	-107.37	318.05	3.17	-104.20
O=C([O-])C1=CC=CC(NC(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=NC=C3)C=C2)=C1	REAL300001668448	0	41	-2.0	-105.50	372.78	5.24	-100.26
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3=CC=CC(C(=O)[O-])=C3)=N2)=C1	REAL300001668463	0	44	-2.0	-135.91	377.65	8.20	-127.71
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=CC(C(=O)[O-])=C3)=N2)C=C1	REAL300001668464	0	44	-2.0	-134.57	377.29	8.22	-126.35
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300001668534	0	38	-2.0	-131.74	339.75	7.28	-124.46
O=C([O-])C1=CC=CC(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])=C1	REAL300001668538	0	35	-2.0	-133.75	323.80	6.34	-127.41
O=C([O-])C1=CC=CC(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)=C1	REAL300001668562	0	33	-2.0	-135.99	296.95	7.15	-128.84
O=C([O-])C1=CC=CC(NC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)=C1	REAL300001668581	0	35	-2.0	-105.92	339.28	4.44	-101.48
O=C([O-])C1=CC=CC(NC(=O)C2=CN=C(I)C([O-])=C2)=C1	REAL300001668625	0	27	-2.0	-108.27	278.52	4.18	-104.09
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC=CC(C(=O)[O-])=C3)=N2)=C1	REAL300001668682	0	38	-2.0	-140.19	342.14	6.93	-133.26
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300001668683	0	41	-2.0	-138.03	358.49	8.03	-130.00
CC1=C(CC(=O)NC2=CC=CC(C(=O)[O-])=C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001668732	1	41	-2.0	-123.15	361.31	5.39	-117.76
O=C([O-])C1=CC=CC(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)=C1	REAL300001668768	0	28	-2.0	-104.33	278.54	5.64	-98.69
CCOC1=CC(C(=O)NC2=CC=CC(C(=O)[O-])=C2)=CC(Cl)=C1[O-]	REAL300001668866	1	35	-2.0	-107.01	323.38	6.60	-100.41
O=C([O-])C1=CC=CC(NC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])=C1	REAL300001668870	0	38	-2.0	-137.93	347.29	7.71	-130.22
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=CC(C(=O)[O-])=C3)=N2)C=C1	REAL300001668877	0	39	-2.0	-134.78	346.87	5.58	-129.20
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=CC(C(=O)[O-])=C2)=CO1	REAL300001668896	1	32	-2.0	-114.69	308.60	0.82	-113.87
O=C([O-])C1=CC=CC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)=C1	REAL300001668964	0	36	-2.0	-117.78	321.06	9.50	-108.28
O=C([O-])C1=CC=CC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)=C1	REAL300001668964	1	36	-2.0	-117.87	321.00	9.53	-108.34
O=C([O-])C1=CC=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300001669019	0	31	-2.0	-95.95	292.42	3.71	-92.24
O=C([O-])C1=CC=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300001669019	1	31	-2.0	-95.93	292.35	3.71	-92.22
COCC1=NC=C(C(=O)NC2=CC=CC(C(=O)[O-])=C2)C(=O)[N-]1	REAL300001669272	1	33	-2.0	-96.28	297.64	2.23	-94.05
O=C([O-])C1=CC=CC(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)=C1	REAL300001669305	1	36	-2.0	-97.34	311.55	5.12	-92.22
O=C([O-])C1=CC=CC(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=C1	REAL300001669549	0	28	-2.0	-121.38	287.23	7.55	-113.83
CC1=C(C(=O)NC2=CC=CC(C(=O)[O-])=C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300001669790	0	36	-2.0	-107.87	321.32	4.73	-103.14
CC1=C(CCC(=O)NCCCCCC(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300001670210	1	53	-2.0	-98.45	427.28	6.58	-91.87
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCCCCCC(=O)[O-])=C1	REAL300001670556	0	43	-2.0	-98.87	369.44	4.39	-94.48
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCCCCC(=O)[O-]	REAL300001670866	0	43	-2.0	-99.87	369.52	4.61	-95.26
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCCCCCC(=O)[O-])C=C1	REAL300001670912	1	45	-2.0	-104.98	391.50	9.53	-95.45
O=C([O-])CCCCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300001671094	1	47	-2.0	-96.96	408.61	6.60	-90.36
O=C([O-])CCCCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300001671095	1	47	-2.0	-101.08	408.78	6.60	-94.48
CC1=CC(C(=O)NCCCCCC(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300001671108	0	43	-2.0	-82.37	390.03	4.78	-77.59
O=C([O-])CCCCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300001671339	0	44	-2.0	-97.39	400.53	5.60	-91.79
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCCCCCC(=O)[O-])O1	REAL300001671358	1	46	-2.0	-90.50	395.26	2.86	-87.64
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCCCCCC(=O)[O-])O1	REAL300001671359	1	37	-2.0	-90.00	340.49	0.42	-89.58
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCCCCCC(=O)[O-])=C1	REAL300001671596	0	47	-2.0	-103.46	404.43	2.61	-100.85
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCCCCC(=O)[O-]	REAL300001671640	0	40	-2.0	-98.52	348.05	3.71	-94.81
O=C([O-])CCCCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300001671647	0	44	-2.0	-99.41	400.71	5.61	-93.80
CC(C)C(=O)[N-]C1=NC(CC(=O)NCCCCCC(=O)[O-])=CS1	REAL300001671996	1	44	-2.0	-98.72	382.23	4.82	-93.90
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCCCCCC(=O)[O-]	REAL300001672211	0	40	-2.0	-92.87	354.46	3.78	-89.09
CC1=C(CC(=O)NCCCCCC(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001672218	1	46	-2.0	-103.81	393.09	5.02	-98.79
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCCCCC(=O)[O-]	REAL300001672223	0	46	-2.0	-100.34	391.01	5.40	-94.94
CC1=C(C(=O)NCCCCCC(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300001672286	1	46	-2.0	-92.84	372.13	5.20	-87.64
O=C([O-])CCCCCNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300001672384	1	47	-2.0	-94.88	408.76	6.59	-88.29
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NCCCCCC(=O)[O-]	REAL300001672936	0	46	-2.0	-103.69	393.94	5.96	-97.73
O=C([O-])CCCCCNC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300001673105	1	36	-2.0	-98.83	324.20	7.19	-91.64
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCCCCCC(=O)[O-])C=N1	REAL300001673194	0	39	-2.0	-94.17	349.10	2.74	-91.43
O=C([O-])CCCCCNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300001673256	1	46	-2.0	-91.36	403.80	4.82	-86.54
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCCCCCC(=O)[O-])=N2)=C1	REAL300001673271	0	49	-2.0	-110.03	408.70	7.79	-102.24
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCCCCCC(=O)[O-])=N2)C=C1	REAL300001673272	0	49	-2.0	-108.88	408.63	7.79	-101.09
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCCCCCC(=O)[O-])=N1	REAL300001673340	0	43	-2.0	-106.14	376.16	6.89	-99.25
O=C([O-])CCCCCNC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300001673344	0	40	-2.0	-107.22	354.84	5.94	-101.28
O=C([O-])CCCCCNC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300001673366	1	38	-2.0	-107.75	328.00	6.82	-100.93
O=C([O-])CCCCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300001673384	0	40	-2.0	-85.90	370.32	4.04	-81.86
O=C([O-])CCCCCNC(=O)C1=CN=C(I)C([O-])=C1	REAL300001673424	0	32	-2.0	-89.32	309.56	3.76	-85.56
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCCCCCC(=O)[O-])=N2)=C1	REAL300001673474	0	43	-2.0	-113.26	373.19	6.52	-106.74
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCCCCCC(=O)[O-])=N1	REAL300001673475	0	46	-2.0	-111.35	389.68	7.60	-103.75
CC1=C(CC(=O)NCCCCCC(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001673520	1	46	-2.0	-102.47	392.36	4.96	-97.51
O=C([O-])CCCCCNC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300001673554	0	33	-2.0	-89.29	309.87	5.21	-84.08
CCOC1=CC(C(=O)NCCCCCC(=O)[O-])=CC(Cl)=C1[O-]	REAL300001673640	1	40	-2.0	-93.04	354.71	6.17	-86.87
O=C([O-])CCCCCNC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300001673644	0	43	-2.0	-112.80	378.33	7.31	-105.49
COC1=CC=C(N2C=C([O-])C(C(=O)NCCCCCC(=O)[O-])=N2)C=C1	REAL300001673651	0	44	-2.0	-108.96	377.91	5.17	-103.79
C[N-]S(=O)(=O)C1=CC(C(=O)NCCCCCC(=O)[O-])=CO1	REAL300001673668	1	37	-2.0	-94.92	339.63	0.39	-94.53
O=C([O-])CCCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300001673789	0	36	-2.0	-84.83	323.40	3.29	-81.54
O=C([O-])CCCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300001673789	1	36	-2.0	-84.75	323.47	3.30	-81.45
O=C([O-])CCCCCNC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300001674054	1	41	-2.0	-91.77	342.66	4.70	-87.07
O=C([O-])CCCCCNC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300001674270	0	33	-2.0	-95.00	318.26	7.23	-87.77
CC1=C(C(=O)NCCCCCC(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300001674502	0	41	-2.0	-95.95	352.36	4.29	-91.66
O=C([O-])C1=CSC(S(=O)(=O)N2CCN(C(=O)C3=CN=CC([O-])=C3)CC2)=C1	REAL300001675011	1	39	-2.0	-98.67	359.57	1.69	-96.98
O=C([O-])C1=CSC(S(=O)(=O)N2CCN(C(=O)C3=C[N-]N=CC3=O)CC2)=C1	REAL300001675107	0	38	-2.0	-94.14	355.04	2.10	-92.04
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2=CC(C)=CC=C2[N-]S(C)(=O)=O)O1	REAL300001675798	0	44	-2.0	-111.74	384.51	5.53	-106.21
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N(C)CC1=CC(C(=O)[O-])=C(C)O1	REAL300001676097	0	44	-2.0	-112.38	384.16	5.75	-106.63
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2=CC=C(S(=O)(=O)[N-]C(C)(C)C)O2)O1	REAL300001676555	1	47	-2.0	-95.02	405.84	4.64	-90.38
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)CC2=CC(C(=O)[O-])=C(C)O2)O1	REAL300001676556	1	38	-2.0	-94.60	352.22	2.10	-92.50
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)O1	REAL300001676817	0	41	-2.0	-110.75	362.68	4.86	-105.89
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)O1	REAL300001677157	1	45	-2.0	-108.31	396.14	6.47	-101.84
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)O1	REAL300001677387	0	41	-2.0	-97.96	368.64	4.91	-93.05
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)CC2=C(C)N=C(C3=CC=CN=C3)[N-]C2=O)O1	REAL300001677389	1	47	-2.0	-117.42	407.01	6.66	-110.76
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N(C)CC1=CC(C(=O)[O-])=C(C)O1	REAL300001677392	0	47	-2.0	-112.89	405.64	6.55	-106.34
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2=C(C)N=C(C(C)(C)C)[N-]C2=O)O1	REAL300001677475	1	47	-2.0	-115.67	394.65	6.19	-109.48
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2=CC=C([O-])C(F)=C2)O1	REAL300001678533	1	34	-2.0	-98.61	305.94	5.91	-92.70
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])O1	REAL300001678545	1	37	-2.0	-112.27	338.78	7.59	-104.68
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)O1	REAL300001678651	0	40	-2.0	-106.59	360.75	4.00	-102.59
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2=CN=C(C3CC3)[N-]C2=O)O1	REAL300001678686	1	39	-2.0	-100.23	346.72	5.32	-94.91
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2=NN(C3=CC=CC(C(C)C)=C3)C=C2[O-])O1	REAL300001678744	0	50	-2.0	-119.69	419.59	9.67	-110.02
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2=NN(C3=CC=C(C(C)C)C=C3)C=C2[O-])O1	REAL300001678745	0	50	-2.0	-118.76	419.79	9.70	-109.06
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2=NN(C3=CC=C(F)C=C3C)C=C2[O-])O1	REAL300001678841	0	44	-2.0	-116.21	385.99	8.77	-107.44
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])O1	REAL300001678846	0	41	-2.0	-117.10	365.74	7.81	-109.29
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2=C([O-])C3=CC=CC=C3C=N2)O1	REAL300001678888	1	39	-2.0	-117.06	338.92	9.03	-108.03
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2=NN(C3=CC(C)=CC=C3F)C=C2[O-])O1	REAL300001679053	0	44	-2.0	-123.32	384.09	8.40	-114.92
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(C)CC2=CC(C(=O)[O-])=C(C)O2)=N1	REAL300001679054	0	47	-2.0	-120.87	400.47	9.47	-111.40
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)CC2=C(C)N=C(C3=CC=NC=C3)[N-]C2=O)O1	REAL300001679131	1	47	-2.0	-116.35	406.28	6.60	-109.75
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2=CC(F)=C([O-])C(Cl)=C2)O1	REAL300001679193	0	34	-2.0	-95.51	321.94	6.46	-89.05
COC1=C(C(=O)N(C)CC2=CC(C(=O)[O-])=C(C)O2)NC(=O)[N-]C1=O	REAL300001679210	1	37	-2.0	-96.98	336.31	0.46	-96.52
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)CCCC2=N[N-]N=N2)O1	REAL300001679309	0	37	-2.0	-101.79	326.72	5.14	-96.65
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)CCCC2=NN=N[N-]2)O1	REAL300001679309	1	37	-2.0	-101.86	326.78	5.15	-96.71
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2=CC=C([O-])C(Cl)=C2)O1	REAL300001679346	0	34	-2.0	-95.33	315.73	6.39	-88.94
CCOC1=CC(C(=O)N(C)CC2=CC(C(=O)[O-])=C(C)O2)=CC(Cl)=C1[O-]	REAL300001679350	1	41	-2.0	-100.53	366.58	7.43	-93.10
COC1=CC=C(N2C=C([O-])C(C(=O)N(C)CC3=CC(C(=O)[O-])=C(C)O3)=N2)C=C1	REAL300001679360	0	45	-2.0	-118.63	388.82	7.06	-111.57
C[N-]S(=O)(=O)C1=CC(C(=O)N(C)CC2=CC(C(=O)[O-])=C(C)O2)=CO1	REAL300001679384	1	38	-2.0	-96.63	348.44	1.70	-94.93
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)O1	REAL300001679550	0	37	-2.0	-90.53	334.41	5.53	-85.00
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)O1	REAL300001679550	1	37	-2.0	-90.52	334.48	5.54	-84.98
COCC1=NC=C(C(=O)N(C)CC2=CC(C(=O)[O-])=C(C)O2)C(=O)[N-]1	REAL300001679885	1	39	-2.0	-111.09	349.21	2.99	-108.10
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2=CN=C(C3CCC3)[N-]C2=O)O1	REAL300001679933	1	42	-2.0	-112.92	363.12	5.88	-107.04
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])O1	REAL300001680255	0	34	-2.0	-99.57	332.42	7.68	-91.89
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2(CC(=O)[O-])CCOCC2)C=C1	REAL300001681689	1	47	-2.0	-123.89	383.67	8.79	-115.10
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(CC(=O)[O-])CCOCC2)O1	REAL300001682046	1	48	-2.0	-99.18	386.93	2.17	-97.01
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(CC(=O)[O-])CCOCC2)O1	REAL300001682047	1	39	-2.0	-98.08	333.32	-0.36	-98.44
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2(CC(=O)[O-])CCOCC2)=CS1	REAL300001682534	1	46	-2.0	-102.70	375.04	4.03	-98.67
CC1=C(CC(=O)NC2(CC(=O)[O-])CCOCC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001682730	1	48	-2.0	-107.76	385.01	4.18	-103.58
O=C([O-])CC1(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CCOCC1	REAL300001683607	1	38	-2.0	-111.32	317.03	6.26	-105.06
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2(CC(=O)[O-])CCOCC2)C=N1	REAL300001683693	0	41	-2.0	-103.01	341.93	1.98	-101.03
O=C([O-])CC1(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)CCOCC1	REAL300001683715	1	40	-2.0	-109.95	320.03	3.49	-106.46
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3(CC(=O)[O-])CCOCC3)=N2)=C1	REAL300001683767	0	51	-2.0	-129.91	401.53	7.00	-122.91
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3(CC(=O)[O-])CCOCC3)=N2)C=C1	REAL300001683768	0	51	-2.0	-127.96	401.46	7.00	-120.96
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2(CC(=O)[O-])CCOCC2)=N1	REAL300001683830	0	45	-2.0	-122.60	368.81	6.22	-116.38
O=C([O-])CC1(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CCOCC1	REAL300001683835	0	42	-2.0	-124.90	347.67	5.15	-119.75
O=C([O-])CC1(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)CCOCC1	REAL300001683860	1	40	-2.0	-127.44	320.83	5.89	-121.55
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3(CC(=O)[O-])CCOCC3)=N2)=C1	REAL300001683990	0	45	-2.0	-132.87	366.01	5.73	-127.14
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2(CC(=O)[O-])CCOCC2)=N1	REAL300001683991	0	48	-2.0	-128.01	375.85	6.97	-121.04
CC1=C(CC(=O)NC2(CC(=O)[O-])CCOCC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001684041	1	48	-2.0	-105.47	385.19	4.17	-101.30
O=C([O-])CC1(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)CCOCC1	REAL300001684086	0	35	-2.0	-94.78	302.91	4.52	-90.26
COC1=C(C(=O)NC2(CC(=O)[O-])CCOCC2)NC(=O)[N-]C1=O	REAL300001684093	1	38	-2.0	-97.66	308.73	-0.58	-98.24
O=C([O-])CC1(NC(=O)C2=CC=C([O-])C(Cl)=C2)CCOCC1	REAL300001684187	0	35	-2.0	-96.24	296.49	4.36	-91.88
CCOC1=CC(C(=O)NC2(CC(=O)[O-])CCOCC2)=CC(Cl)=C1[O-]	REAL300001684190	1	42	-2.0	-100.51	347.54	5.40	-95.11
COC1=CC=C(N2C=C([O-])C(C(=O)NC3(CC(=O)[O-])CCOCC3)=N2)C=C1	REAL300001684198	0	46	-2.0	-127.45	370.74	4.38	-123.07
C[N-]S(=O)(=O)C1=CC(C(=O)NC2(CC(=O)[O-])CCOCC2)=CO1	REAL300001684212	1	39	-2.0	-98.58	332.47	-0.38	-98.96
O=C([O-])CC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCOCC1	REAL300001684339	0	38	-2.0	-89.60	316.23	2.50	-87.10
O=C([O-])CC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCOCC1	REAL300001684339	1	38	-2.0	-89.59	316.30	2.49	-87.10
COCC1=NC=C(C(=O)NC2(CC(=O)[O-])CCOCC2)C(=O)[N-]1	REAL300001684581	1	40	-2.0	-108.66	321.87	1.15	-107.51
O=C([O-])CC1(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)CCOCC1	REAL300001684618	1	43	-2.0	-110.11	335.78	4.05	-106.06
O=C([O-])CC1(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCOCC1	REAL300001684849	0	35	-2.0	-107.72	311.09	6.29	-101.43
CC1=C(CCC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C(=O)[N-]C(N2CCOCC2)=N1	REAL300001685547	1	53	-2.0	-116.26	414.06	6.51	-109.75
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300001686076	1	45	-2.0	-129.78	377.99	9.54	-120.24
CC(C)(C)[C@H](NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300001686222	1	47	-2.0	-107.36	393.76	6.59	-100.77
CC(C)(C)[C@H](NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300001686223	1	47	-2.0	-113.33	394.89	6.62	-106.71
CC1=CC(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300001686234	0	43	-2.0	-92.73	376.81	4.74	-87.99
CC(C)(C)[C@H](NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300001686417	0	44	-2.0	-105.47	385.69	5.59	-99.88
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)O1	REAL300001686435	1	46	-2.0	-97.76	380.43	2.84	-94.92
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)O1	REAL300001686436	1	37	-2.0	-96.35	325.67	0.40	-95.95
CC(C)(C)[C@H](NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C(=O)[O-]	REAL300001686661	0	44	-2.0	-111.18	385.88	5.58	-105.60
CC(C)C(=O)[N-]C1=NC(CC(=O)N[C@H](C(=O)[O-])C(C)(C)C)=CS1	REAL300001686913	1	44	-2.0	-112.67	369.01	4.76	-107.91
CC1=C(CC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001687089	1	46	-2.0	-116.56	378.29	4.97	-111.59
CC(C)(C)[C@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300001687219	1	47	-2.0	-100.49	393.94	6.58	-93.91
CC(C)(C)[C@H](NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300001687753	1	36	-2.0	-119.80	310.96	7.13	-112.67
CC(C)(C)[C@H](NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300001687821	0	39	-2.0	-104.81	335.87	2.68	-102.13
CC(C)(C)[C@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300001687867	1	46	-2.0	-96.62	388.97	4.80	-91.82
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=N2)=C1	REAL300001687881	0	49	-2.0	-134.58	395.47	7.72	-126.86
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=N2)C=C1	REAL300001687882	0	49	-2.0	-132.57	393.80	7.77	-124.80
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=N1	REAL300001687928	0	43	-2.0	-128.97	357.54	6.80	-122.17
CC(C)(C)[C@H](NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300001687932	0	40	-2.0	-130.46	341.62	5.87	-124.59
CC(C)(C)[C@H](NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(=O)[O-]	REAL300001687948	1	38	-2.0	-135.12	313.17	6.77	-128.35
CC(C)(C)[C@H](NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300001687964	0	40	-2.0	-97.58	357.10	3.98	-93.60
CC(C)(C)[C@H](NC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300001687996	0	32	-2.0	-100.22	294.73	3.73	-96.49
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=N2)=C1	REAL300001688029	0	43	-2.0	-137.66	359.30	6.53	-131.13
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=N1	REAL300001688030	0	46	-2.0	-136.10	369.49	7.60	-128.50
CC1=C(CC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001688058	1	46	-2.0	-114.61	378.47	4.97	-109.64
CC(C)(C)[C@H](NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300001688085	0	33	-2.0	-98.22	296.64	5.16	-93.06
CCOC1=CC(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=CC(Cl)=C1[O-]	REAL300001688145	1	40	-2.0	-102.53	339.87	6.16	-96.37
CC(C)(C)[C@H](NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300001688148	0	43	-2.0	-138.66	365.11	7.24	-131.42
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=N2)C=C1	REAL300001688152	0	44	-2.0	-132.22	363.08	5.14	-127.08
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=CO1	REAL300001688162	1	37	-2.0	-103.72	325.74	0.40	-103.32
CC(C)(C)[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300001688257	0	36	-2.0	-91.83	310.18	3.23	-88.60
CC(C)(C)[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300001688257	1	36	-2.0	-91.80	310.25	3.23	-88.57
CC(C)(C)[C@H](NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(=O)[O-]	REAL300001688460	1	41	-2.0	-112.27	329.52	4.64	-107.63
CC(C)(C)[C@H](NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300001688623	0	33	-2.0	-115.44	304.37	7.23	-108.21
CCC(C)(CC(=O)[O-])NC(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O	REAL300001689165	1	53	-2.0	-96.32	403.74	6.19	-90.13
CCC(C)(CC(=O)[O-])NC(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1	REAL300001689694	1	45	-2.0	-103.99	367.93	9.14	-94.85
CCC(C)(CC(=O)[O-])NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300001689840	1	47	-2.0	-93.92	385.04	6.23	-87.69
CCC(C)(CC(=O)[O-])NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300001689841	1	47	-2.0	-98.18	385.42	6.18	-92.00
CCC(C)(CC(=O)[O-])NC(=O)C1=CC=C([N-]S(=O)(=O)C(F)(F)F)C(C)=C1	REAL300001689852	0	43	-2.0	-79.21	366.47	4.41	-74.80
CCC(C)(CC(=O)[O-])NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300001690035	0	44	-2.0	-94.83	376.97	5.23	-89.60
CCC(C)(CC(=O)[O-])NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300001690053	1	46	-2.0	-85.67	370.54	2.57	-83.10
CCC(C)(CC(=O)[O-])NC(=O)C1=CC=C(S(=O)(=O)[N-]C)O1	REAL300001690054	1	37	-2.0	-85.07	316.90	0.03	-85.04
CCC(C)(CC(=O)[O-])NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300001690279	0	44	-2.0	-96.67	377.36	5.20	-91.47
CCC(C)(CC(=O)[O-])NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1	REAL300001690531	1	44	-2.0	-99.18	358.69	4.43	-94.75
CCC(C)(CC(=O)[O-])NC(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O	REAL300001690707	1	46	-2.0	-103.87	369.75	4.59	-99.28
CCC(C)(CC(=O)[O-])NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300001690837	1	47	-2.0	-89.98	385.20	6.23	-83.75
CCC(C)(CC(=O)[O-])NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300001691371	1	36	-2.0	-98.84	300.83	6.62	-92.22
CCC(C)(CC(=O)[O-])NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300001691439	0	39	-2.0	-90.99	325.74	2.34	-88.65
CCC(C)(CC(=O)[O-])NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300001691485	1	46	-2.0	-86.38	380.25	4.45	-81.93
CCC(C)(CC(=O)[O-])NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-]	REAL300001691499	0	49	-2.0	-111.36	385.13	7.40	-103.96
CCC(C)(CC(=O)[O-])NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-]	REAL300001691500	0	49	-2.0	-110.00	385.27	7.38	-102.62
CCC(C)(CC(=O)[O-])NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-]	REAL300001691546	0	43	-2.0	-107.06	352.60	6.50	-100.56
CCC(C)(CC(=O)[O-])NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300001691550	0	40	-2.0	-108.03	331.28	5.55	-102.48
CCC(C)(CC(=O)[O-])NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300001691566	1	38	-2.0	-109.83	304.44	6.29	-103.54
CCC(C)(CC(=O)[O-])NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300001691582	0	40	-2.0	-83.13	346.97	3.61	-79.52
CCC(C)(CC(=O)[O-])NC(=O)C1=CN=C(I)C([O-])=C1	REAL300001691614	0	32	-2.0	-86.05	286.00	3.38	-82.67
CCC(C)(CC(=O)[O-])NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-]	REAL300001691647	0	43	-2.0	-114.54	349.62	6.13	-108.41
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(C)(CC)CC(=O)[O-])=N1	REAL300001691648	0	46	-2.0	-112.81	366.14	7.21	-105.60
CCC(C)(CC(=O)[O-])NC(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O	REAL300001691676	1	46	-2.0	-102.39	369.02	4.55	-97.84
CCC(C)(CC(=O)[O-])NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300001691703	0	33	-2.0	-85.43	286.30	4.83	-80.60
CCOC1=CC(C(=O)NC(C)(CC)CC(=O)[O-])=CC(Cl)=C1[O-]	REAL300001691763	1	40	-2.0	-89.41	331.15	5.80	-83.61
CCC(C)(CC(=O)[O-])NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300001691766	0	43	-2.0	-114.50	354.77	6.92	-107.58
CCC(C)(CC(=O)[O-])NC(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-]	REAL300001691770	0	44	-2.0	-109.94	354.56	4.75	-105.19
CCC(C)(CC(=O)[O-])NC(=O)C1=COC(S(=O)(=O)[N-]C)=C1	REAL300001691780	1	37	-2.0	-91.06	316.07	0.02	-91.04
CCC(C)(CC(=O)[O-])NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300001691875	0	36	-2.0	-80.44	299.84	2.91	-77.53
CCC(C)(CC(=O)[O-])NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300001691875	1	36	-2.0	-80.39	299.91	2.92	-77.47
CCC(C)(CC(=O)[O-])NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300001692078	1	41	-2.0	-92.07	319.33	4.28	-87.79
CCC(C)(CC(=O)[O-])NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300001692241	0	33	-2.0	-95.02	294.67	6.69	-88.33
CC1=C(CCC(=O)N2CCOCC2C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300001692783	1	49	-2.0	-117.23	385.59	5.93	-111.30
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300001693312	1	41	-2.0	-134.49	349.50	8.61	-125.88
O=C([O-])C1COCCN1C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300001693458	1	43	-2.0	-110.98	364.29	5.57	-105.41
O=C([O-])C1COCCN1C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300001693459	1	43	-2.0	-122.13	364.58	5.58	-116.55
CC1=CC(C(=O)N2CCOCC2C(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300001693470	0	39	-2.0	-99.10	351.29	4.00	-95.10
O=C([O-])C1COCCN1C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300001693653	0	40	-2.0	-109.34	356.23	4.58	-104.76
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCOCC2C(=O)[O-])O1	REAL300001693671	1	42	-2.0	-96.79	348.87	2.07	-94.72
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCOCC2C(=O)[O-])O1	REAL300001693672	1	33	-2.0	-95.76	295.25	-0.46	-96.22
O=C([O-])C1COCCN1C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300001693897	0	40	-2.0	-121.09	356.55	4.59	-116.50
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCOCC2C(=O)[O-])=CS1	REAL300001694149	1	40	-2.0	-126.74	340.48	4.14	-122.60
CC1=C(CC(=O)N2CCOCC2C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001694325	1	42	-2.0	-135.23	350.57	4.26	-130.97
O=C([O-])C1COCCN1C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300001694455	1	43	-2.0	-106.54	364.54	5.59	-100.95
O=C([O-])C1COCCN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300001694989	1	32	-2.0	-133.69	280.17	5.35	-128.34
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCOCC2C(=O)[O-])C=N1	REAL300001695057	0	35	-2.0	-107.91	310.03	1.76	-106.15
O=C([O-])C1COCCN1C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300001695103	1	42	-2.0	-102.88	359.57	3.82	-99.06
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCOCC3C(=O)[O-])=N2)=C1	REAL300001695117	0	45	-2.0	-142.92	363.42	7.18	-135.74
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCOCC3C(=O)[O-])=N2)C=C1	REAL300001695118	0	45	-2.0	-142.53	363.30	7.16	-135.37
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCOCC2C(=O)[O-])=N1	REAL300001695164	0	39	-2.0	-139.32	330.49	6.36	-132.96
O=C([O-])C1COCCN1C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300001695168	0	36	-2.0	-140.63	309.57	5.33	-135.30
O=C([O-])C1COCCN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300001695184	1	34	-2.0	-146.28	282.75	5.93	-140.35
O=C([O-])C1COCCN1C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300001695200	0	36	-2.0	-107.20	326.16	3.02	-104.18
O=C([O-])C1COCCN1C(=O)C1=CN=C(I)C([O-])=C1	REAL300001695232	0	28	-2.0	-108.45	265.34	2.64	-105.81
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCOCC3C(=O)[O-])=N2)=C1	REAL300001695265	0	39	-2.0	-147.79	327.87	5.87	-141.92
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCOCC2C(=O)[O-])=N1	REAL300001695266	0	42	-2.0	-138.96	349.82	6.42	-132.54
CC1=C(CC(=O)N2CCOCC2C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001695294	1	42	-2.0	-133.72	350.75	4.26	-129.46
O=C([O-])C1COCCN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300001695321	0	29	-2.0	-101.10	270.91	4.28	-96.82
CCOC1=CC(C(=O)N2CCOCC2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300001695381	1	36	-2.0	-106.52	315.75	5.25	-101.27
O=C([O-])C1COCCN1C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300001695384	0	39	-2.0	-145.79	322.50	6.11	-139.68
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCOCC3C(=O)[O-])=N2)C=C1	REAL300001695388	0	40	-2.0	-142.19	332.59	4.52	-137.67
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCOCC2C(=O)[O-])=CO1	REAL300001695398	1	33	-2.0	-112.13	294.21	-0.41	-112.54
O=C([O-])C1COCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300001695493	0	32	-2.0	-94.01	278.50	2.91	-91.10
O=C([O-])C1COCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300001695493	1	32	-2.0	-94.05	278.57	2.92	-91.13
O=C([O-])C1COCCN1C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300001695696	1	37	-2.0	-111.09	299.01	3.34	-107.75
O=C([O-])C1COCCN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300001695859	0	29	-2.0	-127.80	274.15	5.36	-122.44
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2(CC(=O)[O-])CCCCC2)C=C1	REAL300001697012	1	49	-2.0	-108.62	393.31	11.35	-97.27
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(CC(=O)[O-])CCCCC2)O1	REAL300001697373	1	50	-2.0	-102.38	395.27	4.65	-97.73
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(CC(=O)[O-])CCCCC2)O1	REAL300001697374	1	41	-2.0	-101.22	341.66	2.10	-99.12
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2(CC(=O)[O-])CCCCC2)=CS1	REAL300001697861	1	48	-2.0	-105.75	383.38	6.52	-99.23
CC1=C(CC(=O)NC2(CC(=O)[O-])CCCCC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001698059	1	50	-2.0	-111.59	393.35	6.66	-104.93
O=C([O-])CC1(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CCCCC1	REAL300001698939	1	40	-2.0	-115.20	325.56	8.84	-106.36
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2(CC(=O)[O-])CCCCC2)C=N1	REAL300001699024	0	43	-2.0	-106.14	350.26	4.45	-101.69
O=C([O-])CC1(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)CCCCC1	REAL300001699045	1	42	-2.0	-115.15	328.39	5.99	-109.16
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3(CC(=O)[O-])CCCCC3)=N2)=C1	REAL300001699097	0	53	-2.0	-134.86	409.86	9.48	-125.38
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3(CC(=O)[O-])CCCCC3)=N2)C=C1	REAL300001699098	0	53	-2.0	-132.82	409.79	9.48	-123.34
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2(CC(=O)[O-])CCCCC2)=N1	REAL300001699160	0	47	-2.0	-128.90	377.51	8.69	-120.21
O=C([O-])CC1(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CCCCC1	REAL300001699165	0	44	-2.0	-129.47	356.00	7.63	-121.84
O=C([O-])CC1(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)CCCCC1	REAL300001699189	1	42	-2.0	-132.50	329.17	8.37	-124.13
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3(CC(=O)[O-])CCCCC3)=N2)=C1	REAL300001699315	0	47	-2.0	-137.74	374.35	8.21	-129.53
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2(CC(=O)[O-])CCCCC2)=N1	REAL300001699316	0	50	-2.0	-134.50	383.86	9.45	-125.05
CC1=C(CC(=O)NC2(CC(=O)[O-])CCCCC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001699366	1	50	-2.0	-109.23	393.53	6.66	-102.57
O=C([O-])CC1(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)CCCCC1	REAL300001699410	0	37	-2.0	-97.88	311.04	6.90	-90.98
COC1=C(C(=O)NC2(CC(=O)[O-])CCCCC2)NC(=O)[N-]C1=O	REAL300001699417	1	40	-2.0	-99.69	317.05	1.82	-97.87
O=C([O-])CC1(NC(=O)C2=CC=C([O-])C(Cl)=C2)CCCCC1	REAL300001699510	0	37	-2.0	-99.27	304.83	6.83	-92.44
CCOC1=CC(C(=O)NC2(CC(=O)[O-])CCCCC2)=CC(Cl)=C1[O-]	REAL300001699513	1	44	-2.0	-103.60	355.88	7.88	-95.72
COC1=CC=C(N2C=C([O-])C(C(=O)NC3(CC(=O)[O-])CCCCC3)=N2)C=C1	REAL300001699521	0	48	-2.0	-132.12	379.08	6.86	-125.26
C[N-]S(=O)(=O)C1=CC(C(=O)NC2(CC(=O)[O-])CCCCC2)=CO1	REAL300001699535	1	41	-2.0	-101.22	340.80	2.09	-99.13
O=C([O-])CC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCCCC1	REAL300001699662	0	40	-2.0	-92.23	324.57	4.98	-87.25
O=C([O-])CC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCCCC1	REAL300001699662	1	40	-2.0	-92.19	324.63	4.99	-87.20
COCC1=NC=C(C(=O)NC2(CC(=O)[O-])CCCCC2)C(=O)[N-]1	REAL300001699908	1	42	-2.0	-113.25	330.08	3.62	-109.63
O=C([O-])CC1(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)CCCCC1	REAL300001699945	1	45	-2.0	-115.32	344.14	6.52	-108.80
O=C([O-])CC1(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCCCC1	REAL300001700172	0	37	-2.0	-111.60	319.63	8.87	-102.73
CC1=C(CCC(=O)NC2(CC(=O)[O-])CCC2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300001700863	1	51	-2.0	-114.43	404.25	6.51	-107.92
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2(CC(=O)[O-])CCC2)C=C1	REAL300001701392	1	43	-2.0	-104.85	369.49	9.42	-95.43
O=C([O-])CC1(NC(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3)C=C2)CCC1	REAL300001701539	1	45	-2.0	-107.16	385.57	6.54	-100.62
O=C([O-])CC1(NC(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)CCC1	REAL300001701540	1	45	-2.0	-108.92	385.74	6.53	-102.39
CC1=CC(C(=O)NC2(CC(=O)[O-])CCC2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300001701551	0	41	-2.0	-90.63	367.00	4.71	-85.92
O=C([O-])CC1(NC(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CS3)C=C2)CCC1	REAL300001701735	0	42	-2.0	-105.12	377.50	5.54	-99.58
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(CC(=O)[O-])CCC2)O1	REAL300001701752	1	44	-2.0	-101.36	373.49	2.75	-98.61
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(CC(=O)[O-])CCC2)O1	REAL300001701753	1	35	-2.0	-100.01	318.04	0.35	-99.66
O=C([O-])CC1(NC(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CS3)=C2)CCC1	REAL300001701981	0	42	-2.0	-107.00	377.68	5.54	-101.46
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2(CC(=O)[O-])CCC2)=CS1	REAL300001702235	1	42	-2.0	-103.01	359.16	4.75	-98.26
CC1=C(CC(=O)NC2(CC(=O)[O-])CCC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001702407	1	44	-2.0	-108.64	369.14	4.90	-103.74
O=C([O-])CC1(NC(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3)C=C2)CCC1	REAL300001702536	1	45	-2.0	-98.52	385.73	6.53	-91.99
O=C([O-])CC1(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CCC1	REAL300001703068	1	34	-2.0	-114.37	301.76	7.04	-107.33
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2(CC(=O)[O-])CCC2)C=N1	REAL300001703134	0	37	-2.0	-103.96	326.06	2.68	-101.28
O=C([O-])CC1(NC(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=NC=C3)C=C2)CCC1	REAL300001703179	1	44	-2.0	-94.00	380.78	4.76	-89.24
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3(CC(=O)[O-])CCC3)=N2)=C1	REAL300001703193	0	47	-2.0	-129.30	385.88	7.57	-121.73
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3(CC(=O)[O-])CCC3)=N2)C=C1	REAL300001703194	0	47	-2.0	-127.48	385.81	7.57	-119.91
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2(CC(=O)[O-])CCC2)=N1	REAL300001703241	0	41	-2.0	-122.76	352.71	6.71	-116.05
O=C([O-])CC1(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CCC1	REAL300001703245	0	38	-2.0	-124.36	332.03	5.71	-118.65
O=C([O-])CC1(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)CCC1	REAL300001703260	1	36	-2.0	-130.54	305.55	6.68	-123.86
O=C([O-])CC1(NC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)CCC1	REAL300001703276	0	38	-2.0	-92.10	347.29	3.96	-88.14
O=C([O-])CC1(NC(=O)C2=CN=C(I)C([O-])=C2)CCC1	REAL300001703306	0	30	-2.0	-96.88	286.52	3.70	-93.18
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3(CC(=O)[O-])CCC3)=N2)=C1	REAL300001703338	0	41	-2.0	-131.02	350.12	6.41	-124.61
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2(CC(=O)[O-])CCC2)=N1	REAL300001703339	0	44	-2.0	-130.07	359.36	7.55	-122.52
CC1=C(CC(=O)NC2(CC(=O)[O-])CCC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001703364	1	44	-2.0	-107.57	369.59	4.76	-102.81
O=C([O-])CC1(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)CCC1	REAL300001703389	0	31	-2.0	-94.70	286.38	5.22	-89.48
CCOC1=CC(C(=O)NC2(CC(=O)[O-])CCC2)=CC(Cl)=C1[O-]	REAL300001703447	1	38	-2.0	-100.14	331.23	6.20	-93.94
O=C([O-])CC1(NC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])CCC1	REAL300001703450	0	41	-2.0	-132.68	355.27	7.21	-125.47
COC1=CC=C(N2C=C([O-])C(C(=O)NC3(CC(=O)[O-])CCC3)=N2)C=C1	REAL300001703454	0	42	-2.0	-127.01	355.10	4.95	-122.06
C[N-]S(=O)(=O)C1=CC(C(=O)NC2(CC(=O)[O-])CCC2)=CO1	REAL300001703464	1	35	-2.0	-100.54	317.16	0.30	-100.24
O=C([O-])CC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCC1	REAL300001703558	0	34	-2.0	-91.59	300.96	3.23	-88.36
O=C([O-])CC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC1	REAL300001703558	1	34	-2.0	-91.60	301.02	3.23	-88.37
O=C([O-])CC1(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)CCC1	REAL300001703757	1	39	-2.0	-111.63	319.58	4.69	-106.94
O=C([O-])CC1(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCC1	REAL300001703910	0	31	-2.0	-105.81	294.85	6.85	-98.96
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2=CC=CC=C2CC(=O)[O-])C=C1	REAL300001705044	1	43	-2.0	-106.62	379.40	10.94	-95.68
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2CC(=O)[O-])O1	REAL300001705407	1	44	-2.0	-103.88	382.01	4.36	-99.52
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2CC(=O)[O-])O1	REAL300001705408	1	35	-2.0	-102.75	328.40	1.82	-100.93
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=CC=CC=C2CC(=O)[O-])=CS1	REAL300001705906	1	42	-2.0	-97.56	369.22	6.20	-91.36
CC1=C(CC(=O)NC2=CC=CC=C2CC(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001706099	1	44	-2.0	-105.99	379.17	6.35	-99.64
COC1=CC=C(C(=O)NC2=CC=CC=C2CC(=O)[O-])C([O-])=C1	REAL300001706528	1	35	-2.0	-108.10	301.89	6.76	-101.34
O=C([O-])CC1=CC=CC=C1NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300001706946	1	34	-2.0	-100.71	311.19	8.46	-92.25
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=CC=C2CC(=O)[O-])C=N1	REAL300001707030	0	37	-2.0	-104.09	336.10	4.13	-99.96
O=C([O-])CC1=CC=CC=C1NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300001707051	1	36	-2.0	-112.46	313.60	5.49	-106.97
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3=CC=CC=C3CC(=O)[O-])=N2)=C1	REAL300001707100	0	47	-2.0	-122.32	396.61	9.19	-113.13
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=CC=C3CC(=O)[O-])=N2)C=C1	REAL300001707101	0	47	-2.0	-119.17	396.54	9.20	-109.97
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC=CC=C2CC(=O)[O-])=N1	REAL300001707157	0	41	-2.0	-112.71	358.26	8.25	-104.46
O=C([O-])CC1=CC=CC=C1NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300001707162	0	38	-2.0	-114.30	342.76	7.33	-106.97
O=C([O-])CC1=CC=CC=C1NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300001707184	0	36	-2.0	-118.71	314.98	8.07	-110.64
O=C([O-])CC1=CC=CC=C1NC(=O)C1=CN=C(I)C([O-])=C1	REAL300001707246	0	30	-2.0	-91.10	297.48	5.18	-85.92
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC=CC=C3CC(=O)[O-])=N2)=C1	REAL300001707299	0	41	-2.0	-122.42	361.10	7.92	-114.50
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=CC=C2CC(=O)[O-])=N1	REAL300001707300	0	44	-2.0	-119.38	370.72	9.06	-110.32
CC1=C(CC(=O)NC2=CC=CC=C2CC(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001707347	1	44	-2.0	-104.43	379.35	6.34	-98.09
O=C([O-])CC1=CC=CC=C1NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300001707389	0	31	-2.0	-92.13	297.77	6.62	-85.51
O=C([O-])CC1=CC=CC=C1NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300001707480	0	31	-2.0	-92.45	291.58	6.54	-85.91
CCOC1=CC(C(=O)NC2=CC=CC=C2CC(=O)[O-])=CC(Cl)=C1[O-]	REAL300001707484	1	38	-2.0	-98.33	342.62	7.59	-90.74
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COCC1=NC=C(C(=O)NC2=CC=CC=C2CC(=O)[O-])C(=O)[N-]1	REAL300001707852	1	36	-2.0	-112.47	316.69	3.23	-109.24
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COC1=C(C(=O)NC(C2=CC=CC=C2)C(C)C(=O)[O-])NC(=O)[N-]C1=O	REAL300001711727	1	40	-2.0	-110.52	335.95	2.41	-108.11
CC(C(=O)[O-])C(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL300001711807	0	40	-2.0	-107.49	332.36	5.32	-102.17
CC(C(=O)[O-])C(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL300001711807	1	40	-2.0	-107.48	332.41	5.34	-102.14
CC(C(=O)[O-])C(NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=CC=CC=C1	REAL300001711839	0	37	-2.0	-94.36	323.46	6.88	-87.48
CCOC1=CC(C(=O)NC(C2=CC=CC=C2)C(C)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300001711843	1	44	-2.0	-100.57	370.87	8.50	-92.07
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C[N-]S(=O)(=O)C1=CC(C(=O)NC(C2=CC=CC=C2)C(C)C(=O)[O-])=CO1	REAL300001711865	1	41	-2.0	-99.83	359.44	2.14	-97.69
CC(C(=O)[O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=C1	REAL300001712005	0	40	-2.0	-90.11	345.09	5.23	-84.88
CC(C(=O)[O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=C1	REAL300001712005	1	40	-2.0	-90.15	345.16	5.24	-84.91
CC(C(=O)[O-])C(NC(=O)C1=C[N-]N=CC1=O)C1=CC=CC=C1	REAL300001712243	0	35	-2.0	-93.50	300.64	5.13	-88.37
COCC1=NC=C(C(=O)NC(C2=CC=CC=C2)C(C)C(=O)[O-])C(=O)[N-]1	REAL300001712267	1	42	-2.0	-101.65	353.47	3.71	-97.94
CC(C(=O)[O-])C(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1=CC=CC=C1	REAL300001712310	1	45	-2.0	-121.80	363.00	7.33	-114.47
CC(C(=O)[O-])C(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=CC=CC=C1	REAL300001712557	0	37	-2.0	-110.94	350.96	9.60	-101.34
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(CCC(F)(F)F)CC(=O)[O-])O1	REAL300001714190	1	34	-2.0	-106.46	330.15	1.95	-104.51
CC(C)C(=O)[N-]C1=NC(CC(=O)N(CCC(F)(F)F)CC(=O)[O-])=CS1	REAL300001714656	1	41	-2.0	-96.74	376.03	6.32	-90.42
O=C([O-])CN(CCC(F)(F)F)C(=O)C1=CC=C([O-])C(F)=C1	REAL300001715728	1	30	-2.0	-98.53	281.30	5.64	-92.89
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CS(=O)(=O)[N-]C1=CC=C(C(=O)N(CCC(F)(F)F)CC(=O)[O-])C=N1	REAL300001715822	0	36	-2.0	-108.80	339.26	3.76	-105.04
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N(CCC(F)(F)F)CC(=O)[O-])=N2)=C1	REAL300001715896	0	46	-2.0	-127.53	398.43	9.54	-117.99
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N(CCC(F)(F)F)CC(=O)[O-])=N2)C=C1	REAL300001715897	0	46	-2.0	-124.16	398.37	9.56	-114.60
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(CCC(F)(F)F)CC(=O)[O-])=N1	REAL300001715963	0	40	-2.0	-119.40	363.45	8.30	-111.10
O=C([O-])CN(CCC(F)(F)F)C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300001715968	0	37	-2.0	-118.86	344.58	7.69	-111.17
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CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N(CCC(F)(F)F)CC(=O)[O-])=N2)=C1	REAL300001716130	0	40	-2.0	-126.74	361.45	8.28	-118.46
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(CCC(F)(F)F)CC(=O)[O-])=N1	REAL300001716131	0	43	-2.0	-126.18	376.89	9.26	-116.92
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COC1=C(C(=O)N(CCC(F)(F)F)CC(=O)[O-])NC(=O)[N-]C1=O	REAL300001716255	1	33	-2.0	-97.47	315.47	0.30	-97.17
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O=C([O-])CN(CCC(F)(F)F)C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300001716359	0	30	-2.0	-94.14	291.09	6.13	-88.01
CCOC1=CC(C(=O)N(CCC(F)(F)F)CC(=O)[O-])=CC(Cl)=C1[O-]	REAL300001716363	1	37	-2.0	-100.23	344.99	7.27	-92.96
COC1=CC=C(N2C=C([O-])C(C(=O)N(CCC(F)(F)F)CC(=O)[O-])=N2)C=C1	REAL300001716369	0	41	-2.0	-123.48	367.66	6.92	-116.56
C[N-]S(=O)(=O)C1=CC(C(=O)N(CCC(F)(F)F)CC(=O)[O-])=CO1	REAL300001716384	1	34	-2.0	-103.76	327.73	1.57	-102.19
O=C([O-])CN(CCC(F)(F)F)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300001716518	0	33	-2.0	-92.47	312.34	5.54	-86.93
O=C([O-])CN(CCC(F)(F)F)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300001716518	1	33	-2.0	-92.40	312.41	5.54	-86.86
COCC1=NC=C(C(=O)N(CCC(F)(F)F)CC(=O)[O-])C(=O)[N-]1	REAL300001716774	1	35	-2.0	-117.33	328.20	2.82	-114.51
O=C([O-])CN(CCC(F)(F)F)C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300001717054	0	30	-2.0	-95.78	305.25	7.97	-87.81
COC1=CC=C(C(=O)NC2=CC=C(OCC(=O)[O-])C3=CC=CC=C23)C([O-])=C1	REAL300001718860	1	42	-2.0	-114.26	357.01	8.53	-105.73
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O=C([O-])COC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C2=CC=CC=C12	REAL300001719260	1	38	-2.0	-92.18	333.48	5.87	-86.31
O=C([O-])COC1=CC=C(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)C2=CC=CC=C12	REAL300001719323	1	43	-2.0	-91.86	367.94	7.27	-84.59
O=C([O-])COC1=CC=C(NC(=O)C2=CN=CC([O-])=C2)C2=CC=CC=C12	REAL300001719340	1	37	-2.0	-97.45	323.85	5.89	-91.56
O=C([O-])COC1=CC=C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C2=CC=CC=C12	REAL300001719422	0	43	-2.0	-113.27	370.11	9.85	-103.42
O=C([O-])COC1=CC=C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C2=CC=CC=C12	REAL300001719628	0	38	-2.0	-91.74	351.99	8.35	-83.39
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O=C([O-])COC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C2=CC=CC=C12	REAL300001719704	1	41	-2.0	-103.12	354.97	6.65	-96.47
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O=C([O-])COC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C2=CC=CC=C12	REAL300001719845	0	41	-2.0	-85.84	365.50	6.42	-79.42
O=C([O-])COC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C2=CC=CC=C12	REAL300001719845	1	41	-2.0	-85.88	365.57	6.43	-79.45
O=C([O-])COC1=CC=C(NC(=O)C2=C[N-]N=CC2=O)C2=CC=CC=C12	REAL300001720002	0	36	-2.0	-84.04	317.03	6.34	-77.70
COCC1=NC=C(C(=O)NC2=CC=C(OCC(=O)[O-])C3=CC=CC=C23)C(=O)[N-]1	REAL300001720020	1	43	-2.0	-91.50	369.78	4.93	-86.57
O=C([O-])COC1=CC=C(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C2=CC=CC=C12	REAL300001720053	1	46	-2.0	-91.75	383.69	7.82	-83.93
CC1=C(CCC(=O)NC(CC(=O)[O-])C2CC2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300001720839	1	51	-2.0	-102.28	407.07	6.77	-95.51
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC(CC(=O)[O-])C2CC2)=C1	REAL300001721187	0	41	-2.0	-109.29	346.33	5.11	-104.18
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CC(=O)[O-])C1CC1	REAL300001721497	0	41	-2.0	-110.03	346.42	5.36	-104.67
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC(CC(=O)[O-])C2CC2)C=C1	REAL300001721543	1	43	-2.0	-123.30	366.00	10.17	-113.13
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CC1=CC(C(=O)NC(CC(=O)[O-])C2CC2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300001721739	0	41	-2.0	-89.94	369.84	4.99	-84.95
O=C([O-])CC(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C1CC1	REAL300001721971	0	42	-2.0	-104.35	380.35	5.82	-98.53
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC(=O)[O-])C2CC2)O1	REAL300001721989	1	44	-2.0	-99.18	371.01	3.68	-95.50
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC(=O)[O-])C2CC2)O1	REAL300001721990	1	35	-2.0	-98.16	317.39	1.15	-97.01
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC(CC(=O)[O-])C2CC2)=C1	REAL300001722230	0	45	-2.0	-114.05	381.03	3.34	-110.71
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CC(=O)[O-])C1CC1	REAL300001722276	0	38	-2.0	-108.43	324.96	4.46	-103.97
O=C([O-])CC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C1CC1	REAL300001722284	0	42	-2.0	-106.52	380.54	5.81	-100.71
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(CC(=O)[O-])C2CC2)=CS1	REAL300001722636	1	42	-2.0	-108.50	362.06	5.02	-103.48
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC(CC(=O)[O-])C1CC1	REAL300001722844	0	38	-2.0	-102.39	331.35	4.51	-97.88
CC1=C(CC(=O)NC(CC(=O)[O-])C2CC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001722851	1	44	-2.0	-108.31	369.07	5.69	-102.62
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CC(=O)[O-])C1CC1	REAL300001722856	0	44	-2.0	-110.65	367.92	6.14	-104.51
CC1=C(C(=O)NC(CC(=O)[O-])C2CC2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300001722918	1	44	-2.0	-111.47	352.40	5.44	-106.03
O=C([O-])CC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C1CC1	REAL300001723017	1	45	-2.0	-97.63	388.59	6.80	-90.83
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NC(CC(=O)[O-])C1CC1	REAL300001723566	0	44	-2.0	-113.58	373.74	6.17	-107.41
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CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(CC(=O)[O-])C2CC2)C=N1	REAL300001723822	0	37	-2.0	-103.09	328.91	2.95	-100.14
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CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC(CC(=O)[O-])C3CC3)=N2)=C1	REAL300001723898	0	47	-2.0	-128.32	385.53	8.50	-119.82
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(CC(=O)[O-])C3CC3)=N2)C=C1	REAL300001723899	0	47	-2.0	-126.35	385.51	8.50	-117.85
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(CC(=O)[O-])C2CC2)=N1	REAL300001723968	0	41	-2.0	-121.34	347.64	7.58	-113.76
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CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(CC(=O)[O-])C3CC3)=N2)=C1	REAL300001724098	0	41	-2.0	-130.88	350.07	7.24	-123.64
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CC(=O)[O-])C2CC2)=N1	REAL300001724099	0	44	-2.0	-128.36	359.60	8.38	-119.98
CC1=C(CC(=O)NC(CC(=O)[O-])C2CC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001724140	1	44	-2.0	-106.31	369.26	5.68	-100.63
O=C([O-])CC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1CC1	REAL300001724172	0	31	-2.0	-94.86	289.68	5.42	-89.44
CCOC1=CC(C(=O)NC(CC(=O)[O-])C2CC2)=CC(Cl)=C1[O-]	REAL300001724256	1	38	-2.0	-100.38	334.52	6.39	-93.99
O=C([O-])CC(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C1CC1	REAL300001724260	0	41	-2.0	-132.22	355.22	8.02	-124.20
COC1=CC=C(N2C=C([O-])C(C(=O)NC(CC(=O)[O-])C3CC3)=N2)C=C1	REAL300001724267	0	42	-2.0	-125.91	354.80	5.89	-120.02
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CC(=O)[O-])C2CC2)=CO1	REAL300001724284	1	35	-2.0	-97.86	319.47	0.59	-97.27
O=C([O-])CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL300001724404	0	34	-2.0	-89.73	300.29	4.03	-85.70
O=C([O-])CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL300001724404	1	34	-2.0	-89.74	300.36	4.03	-85.71
O=C([O-])CC(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1CC1	REAL300001724664	1	39	-2.0	-110.89	319.94	5.43	-105.46
O=C([O-])CC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CC1	REAL300001724867	0	31	-2.0	-106.75	295.16	7.85	-98.90
CC1=C(C(=O)NC(CC(=O)[O-])C2CC2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300001725090	0	39	-2.0	-114.04	332.19	4.50	-109.54
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(C(=O)NCCC(=O)[O-])C=C2)O1	REAL300001726154	1	42	-2.0	-90.13	387.63	0.08	-90.05
COC1=CC=C(C(=O)NC2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C([O-])=C1	REAL300001727130	1	42	-2.0	-112.85	362.04	5.06	-107.79
O=C([O-])CCNC(=O)C1=CC=C(NC(=O)C2=CC=C([O-])C(F)=C2)C=C1	REAL300001727615	1	38	-2.0	-95.19	341.02	4.31	-90.88
O=C([O-])CCNC(=O)C1=CC=C(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C=C1	REAL300001727630	1	41	-2.0	-100.11	371.67	6.74	-93.37
O=C([O-])CCNC(=O)C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300001727691	0	38	-2.0	-90.70	338.77	2.36	-88.34
O=C([O-])CCNC(=O)C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300001727691	1	38	-2.0	-90.66	338.83	2.38	-88.28
O=C([O-])CCNC(=O)C1=CC=C(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)C=C1	REAL300001727783	1	43	-2.0	-89.37	374.74	3.87	-85.50
O=C([O-])CCNC(=O)C1=CC=C(NC(=O)C2=CN=CC([O-])=C2)C=C1	REAL300001727809	1	37	-2.0	-98.77	330.15	2.42	-96.35
O=C([O-])CCNC(=O)C1=CC=C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C=C1	REAL300001727945	0	43	-2.0	-110.52	375.44	6.38	-104.14
O=C([O-])CCNC(=O)C1=CC=C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C=C1	REAL300001728215	0	38	-2.0	-92.80	357.01	4.86	-87.94
O=C([O-])CCNC(=O)C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300001728325	0	41	-2.0	-99.69	360.27	3.16	-96.53
O=C([O-])CCNC(=O)C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300001728325	1	41	-2.0	-99.71	360.33	3.17	-96.54
O=C([O-])CCNC(=O)C1=CC=C(NC(=O)C2=CC=C([O-])C(Cl)=C2)C=C1	REAL300001728357	0	38	-2.0	-91.90	350.82	4.81	-87.09
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=C(C(=O)NCCC(=O)[O-])C=C2)=CO1	REAL300001728387	1	42	-2.0	-101.95	386.78	0.06	-101.89
O=C([O-])CCNC(=O)C1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300001728523	0	41	-2.0	-85.93	370.92	2.95	-82.98
O=C([O-])CCNC(=O)C1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300001728523	1	41	-2.0	-86.00	370.86	2.95	-83.05
O=C([O-])CCNC(=O)C1=CC=C(NC(=O)C2=C[N-]N=CC2=O)C=C1	REAL300001728755	0	36	-2.0	-81.17	322.38	2.85	-78.32
COCC1=NC=C(C(=O)NC2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C(=O)[N-]1	REAL300001728786	1	43	-2.0	-87.65	376.61	1.53	-86.12
O=C([O-])CCNC(=O)C1=CC=C(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C=C1	REAL300001728827	1	46	-2.0	-87.68	390.51	4.42	-83.26
O=C([O-])CCNC(=O)C1=CC=C(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C=C1	REAL300001729096	0	38	-2.0	-95.75	365.73	6.78	-88.97
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300001730245	1	38	-2.0	-98.77	342.95	4.85	-93.92
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(F)C(C(=O)[O-])=C1	REAL300001730560	1	38	-2.0	-124.30	343.04	5.07	-119.23
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300001730610	1	40	-2.0	-137.48	365.00	10.02	-127.46
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)O1	REAL300001731053	1	41	-2.0	-99.55	367.62	3.40	-96.15
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)O1	REAL300001731054	1	32	-2.0	-98.75	313.70	0.87	-97.88
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(F)C(C(=O)[O-])=C1	REAL300001731327	0	35	-2.0	-122.60	321.57	4.17	-118.43
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)=CS1	REAL300001731696	1	39	-2.0	-126.41	355.46	5.29	-121.12
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1=CC=C(F)C(C(=O)[O-])=C1	REAL300001731932	0	35	-2.0	-93.17	327.97	4.24	-88.93
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(F)C(C(=O)[O-])=C1	REAL300001731938	1	41	-2.0	-124.97	364.54	5.86	-119.11
COC1=CC=C(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C([O-])=C1	REAL300001732505	1	32	-2.0	-106.10	288.41	5.87	-100.23
O=C([O-])C1=CC(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])=CC=C1F	REAL300001733049	1	31	-2.0	-126.85	297.40	7.54	-119.31
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C=N1	REAL300001733157	0	34	-2.0	-107.79	322.32	3.21	-104.58
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3=CC=C(F)C(C(=O)[O-])=C3)=N2)=C1	REAL300001733248	0	44	-2.0	-134.81	381.91	8.25	-126.56
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(F)C(C(=O)[O-])=C3)=N2)C=C1	REAL300001733249	0	44	-2.0	-134.53	382.14	8.23	-126.30
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)=N1	REAL300001733339	0	38	-2.0	-105.94	349.15	7.37	-98.57
O=C([O-])C1=CC(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])=CC=C1F	REAL300001733344	0	35	-2.0	-108.41	328.35	6.37	-102.04
O=C([O-])C1=CC(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)=CC=C1F	REAL300001733375	0	33	-2.0	-135.27	301.51	7.18	-128.09
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC=C(F)C(C(=O)[O-])=C3)=N2)=C1	REAL300001733528	0	38	-2.0	-139.19	346.40	6.98	-132.21
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)=N1	REAL300001733529	0	41	-2.0	-110.06	356.07	8.12	-101.94
O=C([O-])C1=CC(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)=CC=C1F	REAL300001733650	0	28	-2.0	-104.53	283.12	5.66	-98.87
O=C([O-])C1=CC(NC(=O)C2=CC=C([O-])C(Cl)=C2)=CC=C1F	REAL300001733786	0	28	-2.0	-89.51	277.17	5.59	-83.92
CCOC1=CC(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)=CC(Cl)=C1[O-]	REAL300001733789	1	35	-2.0	-107.97	327.97	6.64	-101.33
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(F)C(C(=O)[O-])=C3)=N2)C=C1	REAL300001733801	0	39	-2.0	-134.36	351.43	5.61	-128.75
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)=CO1	REAL300001733824	1	32	-2.0	-116.34	313.15	0.85	-115.49
O=C([O-])C1=CC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)=CC=C1F	REAL300001733914	0	36	-2.0	-96.71	325.35	9.55	-87.16
O=C([O-])C1=CC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)=CC=C1F	REAL300001733914	1	36	-2.0	-96.69	325.30	9.56	-87.13
O=C([O-])C1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=C1F	REAL300001733981	0	31	-2.0	-97.19	296.98	3.75	-93.44
O=C([O-])C1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC=C1F	REAL300001733981	1	31	-2.0	-97.21	296.91	3.73	-93.48
COCC1=NC=C(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C(=O)[N-]1	REAL300001734300	1	33	-2.0	-94.97	302.18	2.27	-92.70
O=C([O-])C1=CC(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=CC=C1F	REAL300001734642	0	28	-2.0	-121.66	291.78	7.59	-114.07
CC1=C(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300001734942	1	36	-2.0	-106.09	325.63	4.75	-101.34
COC1=CC=C(C(=O)NC2=CC=CC(C#CC3=CC=CC(C(=O)[O-])=C3)=C2)C([O-])=C1	REAL300001736133	1	44	-2.0	-123.81	392.99	11.00	-112.81
O=C([O-])C1=CC=CC(C#CC2=CC=CC(NC(=O)C3=CC=C([O-])C(F)=C3)=C2)=C1	REAL300001736427	1	40	-2.0	-99.03	371.95	10.24	-88.79
O=C([O-])C1=CC(C#CC2=CC(NC(=O)CCC3=N[N-]N=N3)=CC=C2)=CC=C1	REAL300001736486	0	40	-2.0	-106.84	369.12	8.32	-98.52
O=C([O-])C1=CC(C#CC2=CC(NC(=O)CCC3=NN=N[N-]3)=CC=C2)=CC=C1	REAL300001736486	1	40	-2.0	-106.85	369.18	8.34	-98.51
O=C([O-])C1=CC=CC(C#CC2=CC=CC(NC(=O)C3=CN=C(C4CC4)[N-]C3=O)=C2)=C1	REAL300001736540	1	45	-2.0	-93.44	404.93	9.75	-83.69
O=C([O-])C1=CC=CC(C#CC2=CC=CC(NC(=O)C3=CN=CC([O-])=C3)=C2)=C1	REAL300001736554	1	39	-2.0	-105.53	360.79	8.35	-97.18
O=C([O-])C1=CC(C#CC2=CC(NC(=O)CCCC3=N[N-]N=N3)=CC=C2)=CC=C1	REAL300001736862	0	43	-2.0	-106.25	390.62	9.10	-97.15
O=C([O-])C1=CC(C#CC2=CC(NC(=O)CCCC3=NN=N[N-]3)=CC=C2)=CC=C1	REAL300001736862	1	43	-2.0	-107.14	390.67	9.12	-98.02
O=C([O-])C1=CC=CC(C#CC2=CC=CC(NC(=O)C3=CC=C([O-])C(Cl)=C3)=C2)=C1	REAL300001736882	0	40	-2.0	-105.44	381.75	10.73	-94.71
O=C([O-])C1=CC=CC(C#CC2=CC=CC(NC(=O)C3=C[N-]N=CC3=O)=C2)=C1	REAL300001737105	0	38	-2.0	-87.55	353.01	8.79	-78.76
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300001738206	1	38	-2.0	-96.21	350.91	5.21	-91.00
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300001738495	1	38	-2.0	-120.59	350.99	5.43	-115.16
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)O1	REAL300001738939	1	32	-2.0	-95.46	321.65	1.23	-94.23
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300001739194	0	35	-2.0	-118.78	329.52	4.53	-114.25
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)=CS1	REAL300001739532	1	39	-2.0	-122.54	363.41	5.65	-116.89
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300001739756	0	35	-2.0	-110.44	335.63	4.61	-105.83
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300001739761	1	41	-2.0	-121.16	372.49	6.22	-114.94
COC1=CC=C(C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)C([O-])=C1	REAL300001740340	1	32	-2.0	-103.84	296.36	6.23	-97.61
O=C([O-])C1=CC(NC(=O)C2=CC=C([O-])C(F)=C2)=CC=C1Cl	REAL300001740886	1	28	-2.0	-103.21	275.32	5.46	-97.75
O=C([O-])C1=CC(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])=CC=C1Cl	REAL300001740898	1	31	-2.0	-123.33	305.36	7.91	-115.42
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300001741006	0	34	-2.0	-104.42	330.27	3.57	-100.85
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3=CC=C(Cl)C(C(=O)[O-])=C3)=N2)=C1	REAL300001741099	0	44	-2.0	-131.73	389.86	8.61	-123.12
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(Cl)C(C(=O)[O-])=C3)=N2)C=C1	REAL300001741100	0	44	-2.0	-131.39	390.09	8.59	-122.80
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300001741194	0	38	-2.0	-103.78	357.11	7.73	-96.05
O=C([O-])C1=CC(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])=CC=C1Cl	REAL300001741199	0	35	-2.0	-129.43	336.29	6.74	-122.69
O=C([O-])C1=CC(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)=CC=C1Cl	REAL300001741240	0	33	-2.0	-132.25	309.47	7.54	-124.71
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC=C(Cl)C(C(=O)[O-])=C3)=N2)=C1	REAL300001741403	0	38	-2.0	-135.97	354.35	7.34	-128.63
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300001741404	0	41	-2.0	-108.02	364.02	8.48	-99.54
O=C([O-])C1=CC(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)=CC=C1Cl	REAL300001741543	0	28	-2.0	-100.95	291.08	6.02	-94.93
O=C([O-])C1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1Cl	REAL300001741659	0	31	-2.0	-115.76	293.98	4.32	-111.44
O=C([O-])C1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1Cl	REAL300001741659	1	31	-2.0	-115.83	294.04	4.34	-111.49
O=C([O-])C1=CC(NC(=O)C2=CC=C([O-])C(Cl)=C2)=CC=C1Cl	REAL300001741696	0	28	-2.0	-86.69	285.12	5.95	-80.74
CCOC1=CC(C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)=CC(Cl)=C1[O-]	REAL300001741700	1	35	-2.0	-104.45	335.92	7.00	-97.45
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(Cl)C(C(=O)[O-])=C3)=N2)C=C1	REAL300001741710	0	39	-2.0	-131.17	359.38	5.97	-125.20
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)=CO1	REAL300001741734	1	32	-2.0	-112.44	321.10	1.21	-111.23
O=C([O-])C1=CC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)=CC=C1Cl	REAL300001741826	0	36	-2.0	-94.69	333.30	9.91	-84.78
O=C([O-])C1=CC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)=CC=C1Cl	REAL300001741826	1	36	-2.0	-94.59	333.25	9.92	-84.67
O=C([O-])C1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=C1Cl	REAL300001741897	0	31	-2.0	-93.59	304.93	4.11	-89.48
O=C([O-])C1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC=C1Cl	REAL300001741897	1	31	-2.0	-93.62	304.87	4.10	-89.52
COCC1=NC=C(C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)C(=O)[N-]1	REAL300001742230	1	33	-2.0	-92.81	310.14	2.63	-90.18
O=C([O-])C1=CC(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=CC=C1Cl	REAL300001742597	0	28	-2.0	-118.21	299.74	7.95	-110.26
CC1=C(C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)C(=O)NC(C2=CC=CO2)=N1	REAL300001742904	0	36	-2.0	-103.51	333.58	5.11	-98.40
CC1=C(C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300001742904	1	36	-2.0	-103.51	333.58	5.11	-98.40
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300001743834	0	41	-2.0	-103.47	364.21	4.93	-98.54
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300001744149	0	41	-2.0	-104.44	364.28	5.16	-99.28
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300001744199	1	43	-2.0	-115.63	386.27	10.07	-105.56
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)O1	REAL300001744648	1	44	-2.0	-98.46	390.03	3.39	-95.07
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)O1	REAL300001744649	1	35	-2.0	-97.97	335.26	0.95	-97.02
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300001744924	0	38	-2.0	-103.06	342.82	4.26	-98.80
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC2=CC=CC(C(=O)[O-])=C2)=CS1	REAL300001745295	1	42	-2.0	-101.92	377.00	5.36	-96.56
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300001745531	0	38	-2.0	-97.95	349.23	4.33	-93.62
CC1=C(CC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001745534	1	44	-2.0	-105.64	386.94	5.51	-100.13
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300001745537	0	44	-2.0	-104.87	385.78	5.94	-98.93
CC1=C(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300001745616	1	44	-2.0	-102.56	366.91	5.74	-96.82
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300001746426	0	44	-2.0	-107.63	388.70	6.51	-101.12
O=C([O-])C1=CC=CC(CNC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])=C1	REAL300001746628	1	34	-2.0	-103.00	318.97	7.74	-95.26
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300001746736	0	37	-2.0	-101.19	343.86	3.28	-97.91
O=C([O-])C1=CC=CC(CNC(=O)C2=CN=C(C3CC3)[N-]C2=O)=C1	REAL300001746769	1	36	-2.0	-101.13	321.68	4.69	-96.44
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCC3=CC=CC(C(=O)[O-])=C3)=N2)=C1	REAL300001746825	0	47	-2.0	-116.79	403.46	8.32	-108.47
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC3=CC=CC(C(=O)[O-])=C3)=N2)C=C1	REAL300001746826	0	47	-2.0	-115.26	403.39	8.32	-106.94
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300001746911	0	41	-2.0	-111.65	370.95	7.43	-104.22
O=C([O-])C1=CC=CC(CNC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])=C1	REAL300001746916	0	38	-2.0	-112.80	349.61	6.47	-106.33
O=C([O-])C1=CC=CC(CNC(=O)C2=C([O-])C3=CC=CC=C3C=N2)=C1	REAL300001746944	1	36	-2.0	-114.31	322.77	7.35	-106.96
O=C([O-])C1=CC=CC(CNC(=O)C2=CN=C(I)C([O-])=C2)=C1	REAL300001747018	0	30	-2.0	-94.03	304.33	4.31	-89.72
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC3=CC=CC(C(=O)[O-])=C3)=N2)=C1	REAL300001747084	0	41	-2.0	-119.29	367.95	7.05	-112.24
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300001747085	0	44	-2.0	-117.86	384.46	8.14	-109.72
CC1=C(CC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001747153	1	44	-2.0	-104.03	387.13	5.51	-98.52
O=C([O-])C1=CC=CC(CNC(=O)C2=CC(F)=C([O-])C(Cl)=C2)=C1	REAL300001747202	0	31	-2.0	-94.58	304.63	5.74	-88.84
COC1=C(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)NC(=O)[N-]C1=O	REAL300001747212	1	34	-2.0	-97.65	310.78	0.83	-96.82
O=C([O-])C1=CC=CC(CNC(=O)C2=CC=C([O-])C(Cl)=C2)=C1	REAL300001747329	0	31	-2.0	-94.38	298.42	5.69	-88.69
CCOC1=CC(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=CC(Cl)=C1[O-]	REAL300001747333	1	38	-2.0	-98.90	349.48	6.71	-92.19
COC1=CC=C(N2C=C([O-])C(C(=O)NCC3=CC=CC(C(=O)[O-])=C3)=N2)C=C1	REAL300001747345	0	42	-2.0	-115.33	372.68	5.70	-109.63
C[N-]S(=O)(=O)C1=CC(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=CO1	REAL300001747366	1	35	-2.0	-98.88	334.40	0.93	-97.95
O=C([O-])C1=CC=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300001747510	0	34	-2.0	-91.26	318.17	3.83	-87.43
O=C([O-])C1=CC=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300001747510	1	34	-2.0	-91.26	318.24	3.83	-87.43
COCC1=NC=C(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)C(=O)[N-]1	REAL300001747813	1	36	-2.0	-100.13	323.53	2.34	-97.79
O=C([O-])C1=CC=CC(CNC(=O)C2=CN=C(C3CCC3)[N-]C2=O)=C1	REAL300001747856	1	39	-2.0	-101.24	337.43	5.24	-96.00
O=C([O-])C1=CC=CC(CNC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=C1	REAL300001748144	0	31	-2.0	-99.77	313.03	7.77	-92.00
CC1=C(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300001748425	0	39	-2.0	-105.65	347.14	4.84	-100.81
CCC(NC(=O)CCC1=C(C)N=C(N2CCOCC2)NC1=O)C(=O)[O-]	REAL300001748820	0	47	-2.0	-105.25	383.02	5.45	-99.80
CCC(NC(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O)C(=O)[O-]	REAL300001748820	1	47	-2.0	-105.25	383.02	5.45	-99.80
CCC(NC(=O)C1=CC(S(=O)(=O)NC2=CC=CC=C2C)=CC=C1C)C(=O)[O-]	REAL300001748864	0	47	-2.0	-104.71	400.76	6.86	-97.85
CCC(NC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C)=CC=C1C)C(=O)[O-]	REAL300001748864	1	47	-2.0	-104.71	400.76	6.86	-97.85
CCC(NC(=O)C1=CC=C(NS(=O)(=O)C2=CC=C(C)C(C)=C2)C=C1)C(=O)[O-]	REAL300001748895	0	47	-2.0	-107.72	403.01	6.65	-101.07
CCC(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C)=C2)C=C1)C(=O)[O-]	REAL300001748895	1	47	-2.0	-107.72	403.01	6.65	-101.07
CCC(NC(=O)C1=CC(C)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300001749092	0	37	-2.0	-115.60	325.18	3.29	-112.31
CCC(NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1)C(=O)[O-]	REAL300001749308	1	41	-2.0	-107.63	370.96	5.54	-102.09
CCC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(F)=C2)=C1)C(=O)[O-]	REAL300001749336	1	44	-2.0	-109.36	391.50	6.14	-103.22
CCC(NC(=O)C1=CC=CC=C1[N-]S(=O)(=O)CC)C(=O)[O-]	REAL300001749355	0	37	-2.0	-116.58	325.50	3.44	-113.14
CCC(NC(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1)C(=O)[O-]	REAL300001749391	1	39	-2.0	-126.81	347.49	8.37	-118.44
CCC(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300001749437	1	41	-2.0	-100.01	370.99	5.51	-94.50
CCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C)C=C1)C(=O)[O-]	REAL300001749439	1	44	-2.0	-99.53	383.83	6.23	-93.30
CCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C)C=C1)C(=O)[O-]	REAL300001749443	1	47	-2.0	-100.87	400.83	6.77	-94.10
CCC(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300001749550	1	41	-2.0	-106.25	363.76	5.49	-100.76
CCC(NC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300001749551	1	44	-2.0	-112.52	395.59	6.22	-106.30
CCC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300001749552	1	41	-2.0	-111.80	364.76	5.44	-106.36
CCC(NC(=O)C1=CC=C([N-]S(=O)(=O)C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300001749567	0	37	-2.0	-91.02	346.02	3.62	-87.40
CCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2)C=C1)C(=O)[O-]	REAL300001749675	1	44	-2.0	-100.38	385.32	6.14	-94.24
CCC(NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2)=C1)C(=O)[O-]	REAL300001749751	1	41	-2.0	-109.52	380.67	5.97	-103.55
CCC(NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC)=C1)C(=O)[O-]	REAL300001749752	0	45	-2.0	-118.32	393.18	4.79	-113.53
CCC(NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC)C=C2)=C1)C(=O)[O-]	REAL300001749753	1	45	-2.0	-112.48	394.06	4.76	-107.72
CCC(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300001749758	0	38	-2.0	-107.97	356.51	4.46	-103.51
CCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300001749771	1	40	-2.0	-96.37	349.25	1.82	-94.55
CCC(NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2)=C1)C(=O)[O-]	REAL300001749849	1	44	-2.0	-114.68	386.18	6.09	-108.59
CCC(NC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C)C=C2)=C1)C(=O)[O-]	REAL300001749856	1	47	-2.0	-115.08	401.62	6.86	-108.22
CCC(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C)=C2)C=C1)C(=O)[O-]	REAL300001749862	1	44	-2.0	-100.22	390.47	6.19	-94.03
CCC(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2C)C=C1)C(=O)[O-]	REAL300001749863	1	44	-2.0	-102.84	385.63	6.33	-96.51
CCC(NC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C)=C1)C(=O)[O-]	REAL300001749866	0	44	-2.0	-117.58	388.16	6.46	-111.12
CCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC)C=C1)C(=O)[O-]	REAL300001749893	0	45	-2.0	-103.70	393.16	4.81	-98.89
CCC(NC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=CC=C1C)C(=O)[O-]	REAL300001749895	1	44	-2.0	-98.87	387.28	6.15	-92.72
CCC(NC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C)=C2)=C1)C(=O)[O-]	REAL300001749896	1	47	-2.0	-115.38	401.61	6.85	-108.53
CCC(NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2)=C1)C(=O)[O-]	REAL300001749897	1	44	-2.0	-115.38	386.18	6.09	-109.29
CCC(NC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2)=CC=C1C)C(=O)[O-]	REAL300001749898	1	47	-2.0	-106.79	401.99	6.84	-99.95
CCC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC=C2C)=C1)C(=O)[O-]	REAL300001749903	1	47	-2.0	-112.02	401.67	6.88	-105.14
CCC(NC(=O)C1=CC(NC(C)=O)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300001749966	0	41	-2.0	-121.89	359.83	1.45	-120.44
CCC(NC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300001750009	0	34	-2.0	-114.83	303.20	2.60	-112.23
CCC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C(=O)[O-]	REAL300001750019	0	38	-2.0	-109.92	356.70	4.46	-105.46
CCC(NC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300001750020	0	41	-2.0	-118.28	381.11	5.17	-113.11
CCC(NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1)C(=O)[O-]	REAL300001750291	1	38	-2.0	-110.03	337.39	3.69	-106.34
CCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2)C=C1)C(=O)[O-]	REAL300001750356	1	45	-2.0	-98.74	393.44	4.76	-93.98
CCC(NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300001750434	0	34	-2.0	-107.38	310.44	2.61	-104.77
CCC(NC(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O)C(=O)[O-]	REAL300001750444	1	40	-2.0	-114.63	348.25	3.88	-110.75
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CC)C(=O)[O-]	REAL300001750447	0	40	-2.0	-117.17	347.00	4.23	-112.94
CCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300001750584	1	41	-2.0	-99.64	363.92	5.47	-94.17
CCC(NC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1C)C(=O)[O-]	REAL300001750586	0	47	-2.0	-123.93	398.95	7.22	-116.71
CCC(NC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300001750901	0	40	-2.0	-119.96	349.92	4.81	-115.15
CCC(NC(=O)C1=CC(Br)=C([O-])C(Br)=C1)C(=O)[O-]	REAL300001750970	0	27	-2.0	-93.77	284.18	4.82	-88.95
CCC(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300001751066	0	33	-2.0	-103.18	305.08	1.57	-101.61
CCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300001751108	1	40	-2.0	-95.83	358.96	3.69	-92.14
CCC(NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-])C(=O)[O-]	REAL300001751121	0	43	-2.0	-131.65	364.44	6.68	-124.97
CCC(NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])C(=O)[O-]	REAL300001751122	0	43	-2.0	-130.09	364.37	6.68	-123.41
CCC(NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-])C(=O)[O-]	REAL300001751157	0	37	-2.0	-126.65	332.15	5.70	-120.95
CCC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300001751160	0	34	-2.0	-127.49	310.59	4.83	-122.66
CCC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300001751180	0	34	-2.0	-95.76	326.31	2.86	-92.90
CCC(NC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300001751201	0	26	-2.0	-98.93	265.55	2.58	-96.35
CCC(NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-])C(=O)[O-]	REAL300001751234	0	37	-2.0	-134.71	328.93	5.41	-129.30
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CC)C(=O)[O-])=N1	REAL300001751235	0	40	-2.0	-133.34	345.44	6.50	-126.84
CCC(NC(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O)C(=O)[O-]	REAL300001751251	1	40	-2.0	-112.43	347.52	3.83	-108.60
CCOC1=CC(C(=O)NC(CC)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300001751308	1	34	-2.0	-101.44	310.70	5.03	-96.41
CCC(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300001751312	0	37	-2.0	-135.48	334.32	6.12	-129.36
CCC(NC(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-])C(=O)[O-]	REAL300001751321	0	38	-2.0	-129.72	333.66	4.06	-125.66
CCC(NC(=O)C1=C(C)N=C(C2=CC=CO2)[N-]C1=O)C(=O)[O-]	REAL300001751784	0	35	-2.0	-112.97	308.19	3.18	-109.79
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(CC(=O)NCC(=O)[O-])C=C2)O1	REAL300001752761	1	42	-2.0	-87.27	390.54	0.09	-87.18
COC1=CC=C(C(=O)NC2=CC=C(CC(=O)NCC(=O)[O-])C=C2)C([O-])=C1	REAL300001753737	1	42	-2.0	-112.63	364.96	5.09	-107.54
O=C([O-])CNC(=O)CC1=CC=C(NC(=O)C2=CC=C([O-])C(F)=C2)C=C1	REAL300001754222	1	38	-2.0	-90.00	343.65	4.34	-85.66
O=C([O-])CNC(=O)CC1=CC=C(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C=C1	REAL300001754237	1	41	-2.0	-99.11	374.27	6.78	-92.33
O=C([O-])CNC(=O)CC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300001754298	0	38	-2.0	-87.18	341.09	2.41	-84.77
O=C([O-])CNC(=O)CC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300001754298	1	38	-2.0	-87.22	341.15	2.42	-84.80
O=C([O-])CNC(=O)CC1=CC=C(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)C=C1	REAL300001754390	1	43	-2.0	-89.30	376.76	3.86	-85.44
O=C([O-])CNC(=O)CC1=CC=C(NC(=O)C2=CN=CC([O-])=C2)C=C1	REAL300001754416	1	37	-2.0	-92.71	332.48	2.46	-90.25
O=C([O-])CNC(=O)CC1=CC=C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C=C1	REAL300001754552	0	43	-2.0	-107.27	377.77	6.41	-100.86
O=C([O-])CNC(=O)CC1=CC=C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C=C1	REAL300001754822	0	38	-2.0	-87.90	359.93	4.89	-83.01
O=C([O-])CNC(=O)CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300001754932	0	41	-2.0	-95.51	362.59	3.19	-92.32
O=C([O-])CNC(=O)CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300001754932	1	41	-2.0	-95.56	362.65	3.21	-92.35
O=C([O-])CNC(=O)CC1=CC=C(NC(=O)C2=CC=C([O-])C(Cl)=C2)C=C1	REAL300001754964	0	38	-2.0	-86.87	353.45	4.83	-82.04
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=C(CC(=O)NCC(=O)[O-])C=C2)=CO1	REAL300001754994	1	42	-2.0	-94.68	389.41	0.09	-94.59
O=C([O-])CNC(=O)CC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300001755130	0	41	-2.0	-82.53	373.24	2.99	-79.54
O=C([O-])CNC(=O)CC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300001755130	1	41	-2.0	-82.57	373.17	2.98	-79.59
O=C([O-])CNC(=O)CC1=CC=C(NC(=O)C2=C[N-]N=CC2=O)C=C1	REAL300001755362	0	36	-2.0	-81.21	324.69	2.89	-78.32
COCC1=NC=C(C(=O)NC2=CC=C(CC(=O)NCC(=O)[O-])C=C2)C(=O)[N-]1	REAL300001755393	1	43	-2.0	-88.82	378.95	1.51	-87.31
O=C([O-])CNC(=O)CC1=CC=C(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C=C1	REAL300001755434	1	46	-2.0	-89.27	392.85	4.39	-84.88
O=C([O-])CNC(=O)CC1=CC=C(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C=C1	REAL300001755703	0	38	-2.0	-94.88	368.34	6.82	-88.06
CC1=CC=C(NS(C)(=O)=O)C(C(=O)NC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300001756852	0	42	-2.0	-114.25	369.17	5.10	-109.15
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300001756852	1	42	-2.0	-114.25	369.17	5.10	-109.15
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=CC(OCC(=O)[O-])=C1	REAL300001757150	1	42	-2.0	-115.53	369.24	5.32	-110.21
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300001757196	1	44	-2.0	-101.01	391.39	10.24	-90.77
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC(OCC(=O)[O-])=C2)O1	REAL300001757622	1	45	-2.0	-94.62	394.10	3.65	-90.97
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC(OCC(=O)[O-])=C2)O1	REAL300001757623	1	36	-2.0	-94.19	340.49	1.12	-93.07
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=CC(OCC(=O)[O-])=C1	REAL300001757886	0	39	-2.0	-113.93	347.78	4.42	-109.51
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=CC=CC(OCC(=O)[O-])=C2)=CS1	REAL300001758231	1	43	-2.0	-120.52	382.24	5.53	-114.99
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1=CC=CC(OCC(=O)[O-])=C1	REAL300001758464	0	39	-2.0	-106.30	354.20	4.49	-101.81
CC1=C(CC(=O)NC2=CC=CC(OCC(=O)[O-])=C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001758467	1	45	-2.0	-126.03	392.17	5.67	-120.36
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=CC(OCC(=O)[O-])=C1	REAL300001758470	1	45	-2.0	-116.04	390.74	6.11	-109.93
CC1=C(C(=O)NC2=CC=CC(OCC(=O)[O-])=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300001758551	1	45	-2.0	-94.95	371.54	5.94	-89.01
COC1=CC=C(C(=O)NC2=CC=CC(OCC(=O)[O-])=C2)C([O-])=C1	REAL300001759055	1	36	-2.0	-127.72	314.62	6.10	-121.62
O=C([O-])COC1=CC=CC(NC(=O)C2=CC=C([O-])C(F)=C2)=C1	REAL300001759615	1	32	-2.0	-100.85	293.86	5.34	-95.51
O=C([O-])COC1=CC=CC(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])=C1	REAL300001759626	1	35	-2.0	-118.26	324.19	7.79	-110.47
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=CC(OCC(=O)[O-])=C2)C=N1	REAL300001759733	0	38	-2.0	-101.94	349.10	3.44	-98.50
O=C([O-])COC1=CC=CC(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)=C1	REAL300001759769	1	37	-2.0	-93.33	326.85	4.86	-88.47
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3=CC=CC(OCC(=O)[O-])=C3)=N2)=C1	REAL300001759829	0	48	-2.0	-127.62	408.70	8.48	-119.14
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=CC(OCC(=O)[O-])=C3)=N2)C=C1	REAL300001759830	0	48	-2.0	-126.73	408.62	8.49	-118.24
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC=CC(OCC(=O)[O-])=C2)=N1	REAL300001759926	0	42	-2.0	-123.53	370.80	7.56	-115.97
O=C([O-])COC1=CC=CC(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])=C1	REAL300001759931	0	39	-2.0	-125.72	354.84	6.63	-119.09
O=C([O-])COC1=CC=CC(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)=C1	REAL300001759973	0	37	-2.0	-126.55	327.72	7.42	-119.13
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC=CC(OCC(=O)[O-])=C3)=N2)=C1	REAL300001760140	0	42	-2.0	-131.96	373.18	7.21	-124.75
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=CC(OCC(=O)[O-])=C2)=N1	REAL300001760141	0	45	-2.0	-129.63	389.54	8.31	-121.32
CC1=C(CC(=O)NC2=CC=CC(OCC(=O)[O-])=C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001760219	1	45	-2.0	-125.09	392.36	5.66	-119.43
O=C([O-])COC1=CC=CC(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)=C1	REAL300001760281	0	32	-2.0	-98.50	309.87	5.89	-92.61
O=C([O-])COC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300001760403	0	35	-2.0	-111.67	312.81	4.19	-107.48
O=C([O-])COC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300001760403	1	35	-2.0	-111.71	312.87	4.21	-107.50
O=C([O-])COC1=CC=CC(NC(=O)C2=CC=C([O-])C(Cl)=C2)=C1	REAL300001760440	0	32	-2.0	-98.15	303.66	5.83	-92.32
CCOC1=CC(C(=O)NC2=CC=CC(OCC(=O)[O-])=C2)=CC(Cl)=C1[O-]	REAL300001760444	1	39	-2.0	-102.16	354.71	6.87	-95.29
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=CC(OCC(=O)[O-])=C3)=N2)C=C1	REAL300001760454	0	43	-2.0	-126.51	377.91	5.86	-120.65
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=CC(OCC(=O)[O-])=C2)=CO1	REAL300001760478	1	36	-2.0	-108.98	339.64	1.10	-107.88
O=C([O-])COC1=CC=CC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)=C1	REAL300001760572	0	40	-2.0	-109.63	352.10	9.78	-99.85
O=C([O-])COC1=CC=CC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)=C1	REAL300001760572	1	40	-2.0	-109.69	352.05	9.81	-99.88
O=C([O-])COC1=CC=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300001760647	0	35	-2.0	-91.32	323.12	3.99	-87.33
O=C([O-])COC1=CC=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300001760647	1	35	-2.0	-91.31	323.18	4.00	-87.31
COCC1=NC=C(C(=O)NC2=CC=CC(OCC(=O)[O-])=C2)C(=O)[N-]1	REAL300001760983	1	37	-2.0	-92.53	328.69	2.51	-90.02
O=C([O-])COC1=CC=CC(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)=C1	REAL300001761031	1	40	-2.0	-93.31	342.61	5.41	-87.90
O=C([O-])COC1=CC=CC(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=C1	REAL300001761356	0	32	-2.0	-113.23	318.26	7.83	-105.40
CC1=C(CCC(=O)NCCCC(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300001762106	1	47	-2.0	-97.58	384.29	5.02	-92.56
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)NCCCC(=O)[O-])=C1	REAL300001762150	1	47	-2.0	-99.25	401.77	6.47	-92.78
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCCC(=O)[O-])C=C2)C=C1C	REAL300001762181	1	47	-2.0	-97.82	404.03	6.24	-91.58
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCCCC(=O)[O-])=C1	REAL300001762378	0	37	-2.0	-97.56	326.44	2.83	-94.73
O=C([O-])CCCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1	REAL300001762594	1	41	-2.0	-94.54	372.22	5.08	-89.46
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NCCCC(=O)[O-])=C2)C=C1F	REAL300001762622	1	44	-2.0	-96.40	392.51	5.73	-90.67
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCCC(=O)[O-]	REAL300001762641	0	37	-2.0	-98.59	326.52	3.05	-95.54
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCCCC(=O)[O-])C=C1	REAL300001762677	1	39	-2.0	-103.43	348.51	7.97	-95.46
O=C([O-])CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300001762723	1	41	-2.0	-90.10	372.00	5.10	-85.00
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCCCC(=O)[O-])C=C1	REAL300001762725	1	44	-2.0	-92.51	385.67	5.80	-86.71
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCCCC(=O)[O-])C=C2)=C1C	REAL300001762729	1	47	-2.0	-93.94	402.68	6.34	-87.60
O=C([O-])CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300001762836	1	41	-2.0	-96.54	365.61	5.04	-91.50
O=C([O-])CCCNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300001762837	1	44	-2.0	-98.31	396.84	5.78	-92.53
O=C([O-])CCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300001762838	1	41	-2.0	-99.09	365.78	5.03	-94.06
CC1=CC(C(=O)NCCCC(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300001762853	0	37	-2.0	-81.66	347.03	3.21	-78.45
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCCCC(=O)[O-])C=C2)C=C1	REAL300001762961	1	44	-2.0	-93.23	387.17	5.71	-87.52
O=C([O-])CCCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2)=C1	REAL300001763037	1	41	-2.0	-95.81	382.53	5.54	-90.27
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)NCCCC(=O)[O-])=C1	REAL300001763038	0	45	-2.0	-104.26	395.03	4.36	-99.90
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NCCCC(=O)[O-])=C2)C=C1	REAL300001763039	1	45	-2.0	-99.29	395.31	4.32	-94.97
O=C([O-])CCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300001763044	0	38	-2.0	-95.71	357.53	4.04	-91.67
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCCCC(=O)[O-])O1	REAL300001763057	1	40	-2.0	-90.49	352.95	1.27	-89.22
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NCCCC(=O)[O-])=C2)C=C1	REAL300001763135	1	44	-2.0	-101.08	387.19	5.69	-95.39
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)NCCCC(=O)[O-])=CC=C2C)C=C1	REAL300001763142	1	47	-2.0	-101.07	402.63	6.48	-94.59
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCCCC(=O)[O-])C=C2)=CC=C1F	REAL300001763148	1	44	-2.0	-90.59	392.32	5.73	-84.86
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NCCCC(=O)[O-])C=C1	REAL300001763149	1	44	-2.0	-90.69	387.48	5.88	-84.81
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)NCCCC(=O)[O-])=CC=C1F	REAL300001763152	0	44	-2.0	-98.83	390.03	6.01	-92.82
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCCCC(=O)[O-])C=C1	REAL300001763179	0	45	-2.0	-96.32	395.01	4.37	-91.95
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2)C=C1C(=O)NCCCC(=O)[O-]	REAL300001763181	1	44	-2.0	-93.75	388.29	5.76	-87.99
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)NCCCC(=O)[O-])=CC=C2C)=C1	REAL300001763182	1	47	-2.0	-101.51	402.63	6.46	-95.05
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)NCCCC(=O)[O-])=C2)=C1	REAL300001763183	1	44	-2.0	-101.57	387.20	5.70	-95.87
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)NCCCC(=O)[O-])=C2)=C1	REAL300001763184	1	47	-2.0	-100.54	403.29	6.37	-94.17
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NCCCC(=O)[O-])=C2)=C1	REAL300001763189	1	47	-2.0	-99.26	402.68	6.46	-92.80
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCCCC(=O)[O-])=C1	REAL300001763252	0	41	-2.0	-104.01	361.45	1.04	-102.97
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCCC(=O)[O-]	REAL300001763295	0	34	-2.0	-97.23	305.05	2.15	-95.08
O=C([O-])CCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300001763305	0	38	-2.0	-97.51	357.72	4.05	-93.46
O=C([O-])CCCNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300001763306	0	41	-2.0	-103.67	382.37	4.72	-98.95
CC(C)C(=O)[N-]C1=NC(CC(=O)NCCCC(=O)[O-])=CS1	REAL300001763577	1	38	-2.0	-97.59	339.24	3.25	-94.34
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCCCC(=O)[O-])C=C2)C=C1	REAL300001763642	1	45	-2.0	-91.56	395.29	4.32	-87.24
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCCCC(=O)[O-]	REAL300001763720	0	34	-2.0	-91.67	311.46	2.22	-89.45
CC1=C(CC(=O)NCCCC(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001763730	1	40	-2.0	-103.31	350.09	3.46	-99.85
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCCC(=O)[O-]	REAL300001763733	0	40	-2.0	-99.03	348.02	3.84	-95.19
O=C([O-])CCCNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300001763870	1	41	-2.0	-92.58	365.77	5.03	-87.55
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)NCCCC(=O)[O-])=C1	REAL300001763872	0	47	-2.0	-104.57	400.20	6.75	-97.82
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NCCCC(=O)[O-]	REAL300001764187	0	40	-2.0	-101.93	350.94	4.40	-97.53
O=C([O-])CCCNC(=O)C1=CC(Br)=C([O-])C(Br)=C1	REAL300001764256	0	27	-2.0	-83.75	285.44	4.36	-79.39
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCCCC(=O)[O-])C=N1	REAL300001764352	0	33	-2.0	-93.82	306.10	1.18	-92.64
O=C([O-])CCCNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300001764394	1	40	-2.0	-88.95	360.81	3.26	-85.69
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCCCC(=O)[O-])=N2)=C1	REAL300001764407	0	43	-2.0	-110.69	365.70	6.23	-104.46
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCCCC(=O)[O-])=N2)C=C1	REAL300001764408	0	43	-2.0	-109.33	365.63	6.23	-103.10
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCCCC(=O)[O-])=N1	REAL300001764443	0	37	-2.0	-106.19	333.17	5.33	-100.86
O=C([O-])CCCNC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300001764446	0	34	-2.0	-106.98	311.85	4.38	-102.60
O=C([O-])CCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300001764466	0	34	-2.0	-83.85	327.32	2.48	-81.37
O=C([O-])CCCNC(=O)C1=CN=C(I)C([O-])=C1	REAL300001764487	0	26	-2.0	-87.29	266.56	2.20	-85.09
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCCCC(=O)[O-])=N2)=C1	REAL300001764520	0	37	-2.0	-113.31	330.19	4.96	-108.35
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCCCC(=O)[O-])=N1	REAL300001764521	0	40	-2.0	-111.73	346.68	6.04	-105.69
CC1=C(CC(=O)NCCCC(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001764537	1	40	-2.0	-101.89	349.37	3.40	-98.49
CCOC1=CC(C(=O)NCCCC(=O)[O-])=CC(Cl)=C1[O-]	REAL300001764594	1	34	-2.0	-91.71	311.71	4.61	-87.10
O=C([O-])CCCNC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300001764598	0	37	-2.0	-114.39	335.34	5.75	-108.64
COC1=CC=C(N2C=C([O-])C(C(=O)NCCCC(=O)[O-])=N2)C=C1	REAL300001764607	0	38	-2.0	-109.35	334.92	3.61	-105.74
CC1=C(C(=O)NCCCC(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300001765070	0	35	-2.0	-99.25	309.37	2.73	-96.52
CC1=C(CCC(=O)NC(C)C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300001765239	1	44	-2.0	-96.29	361.44	4.38	-91.91
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)NC(C)C(=O)[O-])=C1	REAL300001765276	1	44	-2.0	-102.79	379.24	5.82	-96.97
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)C=C1C	REAL300001765302	1	44	-2.0	-98.94	381.18	5.63	-93.31
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC(C)C(=O)[O-])=C1	REAL300001765472	0	34	-2.0	-99.50	303.60	2.21	-97.29
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)C=C1	REAL300001765548	1	45	-2.0	-95.35	394.11	4.65	-90.70
CC(NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1)C(=O)[O-]	REAL300001765648	1	38	-2.0	-91.16	349.21	4.49	-86.67
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NC(C)C(=O)[O-])=C2)C=C1F	REAL300001765673	1	41	-2.0	-94.97	369.67	5.12	-89.85
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(C)C(=O)[O-]	REAL300001765689	0	34	-2.0	-100.18	303.67	2.43	-97.75
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC(C)C(=O)[O-])C=C1	REAL300001765716	1	36	-2.0	-105.60	325.64	7.34	-98.26
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)C=C1	REAL300001765750	1	45	-2.0	-88.55	394.30	4.62	-83.93
CC(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300001765752	1	38	-2.0	-91.00	349.16	4.49	-86.51
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300001765754	1	41	-2.0	-89.54	362.83	5.19	-84.35
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)=C1C	REAL300001765758	1	44	-2.0	-90.85	379.84	5.73	-85.12
COC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1	REAL300001765764	0	45	-2.0	-103.35	392.50	4.89	-98.46
CC(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300001765853	1	38	-2.0	-97.74	342.76	4.42	-93.32
CC(NC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300001765854	1	41	-2.0	-95.18	374.00	5.14	-90.04
CC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300001765855	1	38	-2.0	-97.63	342.94	4.42	-93.21
CC1=CC(C(=O)NC(C)C(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300001765869	0	34	-2.0	-81.89	324.18	2.60	-79.29
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)C=C1	REAL300001765956	1	41	-2.0	-90.49	364.64	5.05	-85.44
CC(NC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300001766028	0	40	-2.0	-103.23	368.68	5.36	-97.87
CC(NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2)=C1)C(=O)[O-]	REAL300001766029	1	38	-2.0	-92.67	359.51	4.94	-87.73
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)NC(C)C(=O)[O-])=C1	REAL300001766030	0	42	-2.0	-101.22	372.18	3.74	-97.48
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NC(C)C(=O)[O-])=C2)C=C1	REAL300001766031	1	42	-2.0	-95.94	372.30	3.72	-92.22
CC(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300001766033	0	40	-2.0	-95.24	370.82	5.12	-90.12
CC(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300001766037	0	35	-2.0	-94.50	334.68	3.43	-91.07
CC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300001766048	1	37	-2.0	-91.64	328.27	0.76	-90.88
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NC(C)C(=O)[O-])=C2)C=C1	REAL300001766116	1	41	-2.0	-97.91	364.18	5.09	-92.82
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)NC(C)C(=O)[O-])=CC=C2C)C=C1	REAL300001766123	1	44	-2.0	-98.04	379.62	5.87	-92.17
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)=CC=C1F	REAL300001766128	1	41	-2.0	-91.33	369.31	5.15	-86.18
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300001766129	1	41	-2.0	-89.51	364.64	5.26	-84.25
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)NC(C)C(=O)[O-])=CC=C1F	REAL300001766133	0	41	-2.0	-100.98	367.49	5.36	-95.62
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300001766160	0	42	-2.0	-93.42	372.00	3.78	-89.64
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2)C=C1C(=O)NC(C)C(=O)[O-]	REAL300001766162	1	41	-2.0	-96.57	365.76	5.12	-91.45
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)NC(C)C(=O)[O-])=CC=C2C)=C1	REAL300001766163	1	44	-2.0	-98.40	379.62	5.87	-92.53
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)NC(C)C(=O)[O-])=C2)=C1	REAL300001766165	1	41	-2.0	-98.36	364.35	5.08	-93.28
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)NC(C)C(=O)[O-])=C2)=C1	REAL300001766166	1	44	-2.0	-104.57	380.40	5.77	-98.80
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NC(C)C(=O)[O-])=C2)=C1	REAL300001766172	1	44	-2.0	-97.87	379.84	5.85	-92.02
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC(C)C(=O)[O-])=C1	REAL300001766227	0	38	-2.0	-104.69	338.00	0.43	-104.26
CC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C(=O)[O-]	REAL300001766277	0	35	-2.0	-95.82	334.87	3.43	-92.39
CC(NC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300001766278	0	38	-2.0	-100.62	359.52	4.09	-96.53
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)C=C1	REAL300001766546	1	42	-2.0	-88.45	372.45	3.69	-84.76
CC(NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300001766606	0	31	-2.0	-93.35	288.93	1.56	-91.79
CC1=C(CC(=O)NC(C)C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001766616	1	37	-2.0	-102.26	327.08	2.85	-99.41
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(C)C(=O)[O-]	REAL300001766619	0	37	-2.0	-100.66	325.17	3.22	-97.44
CC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300001766729	1	38	-2.0	-89.74	343.24	4.37	-85.37
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)NC(C)C(=O)[O-])=C1	REAL300001766731	0	44	-2.0	-106.79	377.36	6.13	-100.66
CC(NC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300001766966	0	37	-2.0	-103.01	328.09	3.79	-99.22
CC(NC(=O)C1=CC(Br)=C([O-])C(Br)=C1)C(=O)[O-]	REAL300001767018	0	24	-2.0	-83.01	262.59	3.73	-79.28
CC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300001767117	1	37	-2.0	-85.92	338.28	2.60	-83.32
CC(C)C1=CC(N2C=C([O-])C(C(=O)NC(C)C(=O)[O-])=N2)=CC=C1	REAL300001767126	0	40	-2.0	-116.19	342.85	5.59	-110.60
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(C)C(=O)[O-])=N2)C=C1	REAL300001767127	0	40	-2.0	-114.15	342.78	5.59	-108.56
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(C)C(=O)[O-])=N1	REAL300001767148	0	34	-2.0	-110.17	310.15	4.72	-105.45
CC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300001767160	0	31	-2.0	-81.70	304.31	1.86	-79.84
CC(NC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300001767177	0	23	-2.0	-85.64	243.72	1.57	-84.07
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(C)C(=O)[O-])=N2)=C1	REAL300001767203	0	34	-2.0	-118.03	307.34	4.32	-113.71
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(C)C(=O)[O-])=N1	REAL300001767204	0	37	-2.0	-116.83	323.85	5.40	-111.43
CC1=C(CC(=O)NC(C)C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001767216	1	37	-2.0	-100.60	326.36	2.80	-97.80
CC(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300001767259	0	34	-2.0	-121.09	312.32	5.14	-115.95
COC1=CC=C(N2C=C([O-])C(C(=O)NC(C)C(=O)[O-])=N2)C=C1	REAL300001767267	0	35	-2.0	-113.96	312.07	2.97	-110.99
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300001768298	0	44	-2.0	-112.92	382.98	6.57	-106.35
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1	REAL300001768596	0	44	-2.0	-114.02	382.61	6.80	-107.22
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300001768641	1	46	-2.0	-127.31	403.74	12.14	-115.17
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300001769071	1	47	-2.0	-95.92	404.73	5.58	-90.34
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)O1	REAL300001769072	1	38	-2.0	-95.04	349.45	3.13	-91.91
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C1=CC=CC=C1[N-]S(C)(=O)=O	REAL300001769341	0	41	-2.0	-112.48	361.13	5.90	-106.58
CC(C)C(=O)[N-]C1=NC(CC(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)=CS1	REAL300001769691	1	45	-2.0	-109.08	394.10	7.50	-101.58
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O	REAL300001769927	0	41	-2.0	-99.85	365.92	5.92	-93.93
CC1=C(CC(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001769930	1	47	-2.0	-121.83	404.08	7.63	-114.20
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1	REAL300001769933	0	47	-2.0	-114.63	404.09	7.59	-107.04
CC1=C(C(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300001770014	1	47	-2.0	-103.65	391.25	7.32	-96.33
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C1=CC=C([O-])C(F)=C1	REAL300001771074	1	34	-2.0	-101.23	303.33	6.93	-94.30
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300001771085	1	37	-2.0	-105.02	335.61	8.63	-96.39
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300001771192	0	40	-2.0	-109.68	359.22	5.02	-104.66
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300001771228	1	39	-2.0	-114.56	346.01	6.38	-108.18
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N(C)CC3=CC=C(C(=O)[O-])C=C3)=N2)=C1	REAL300001771286	0	50	-2.0	-121.64	416.99	10.68	-110.96
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N(C)CC3=CC=C(C(=O)[O-])C=C3)=N2)C=C1	REAL300001771287	0	50	-2.0	-121.54	418.03	10.73	-110.81
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300001771382	0	44	-2.0	-118.87	385.26	9.81	-109.06
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300001771387	0	41	-2.0	-120.07	363.12	8.83	-111.24
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300001771425	1	39	-2.0	-118.57	337.16	10.04	-108.53
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N(C)CC3=CC=C(C(=O)[O-])C=C3)=N2)=C1	REAL300001771591	0	44	-2.0	-126.95	382.60	9.45	-117.50
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300001771592	0	47	-2.0	-123.96	397.65	10.36	-113.60
CC1=C(CC(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001771669	1	47	-2.0	-121.02	404.26	7.62	-113.40
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300001771729	0	34	-2.0	-97.55	319.34	7.48	-90.07
COC1=C(C(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)NC(=O)[N-]C1=O	REAL300001771745	1	37	-2.0	-99.05	333.47	1.46	-97.59
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)CCCC1=N[N-]N=N1	REAL300001771846	0	37	-2.0	-105.82	324.72	6.16	-99.66
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)CCCC1=NN=N[N-]1	REAL300001771846	1	37	-2.0	-105.83	324.78	6.17	-99.66
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300001771882	0	34	-2.0	-97.66	313.13	7.41	-90.25
CCOC1=CC(C(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)=CC(Cl)=C1[O-]	REAL300001771885	1	41	-2.0	-101.44	364.18	8.47	-92.97
COC1=CC=C(N2C=C([O-])C(C(=O)N(C)CC3=CC=C(C(=O)[O-])C=C3)=N2)C=C1	REAL300001771895	0	45	-2.0	-121.28	387.32	8.10	-113.18
C[N-]S(=O)(=O)C1=CC(C(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)=CO1	REAL300001771919	1	38	-2.0	-98.45	346.22	2.72	-95.73
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300001772085	0	37	-2.0	-91.79	332.59	6.54	-85.25
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300001772085	1	37	-2.0	-91.82	332.66	6.56	-85.26
COCC1=NC=C(C(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)C(=O)[N-]1	REAL300001772417	1	39	-2.0	-102.70	346.59	4.01	-98.69
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300001772465	1	42	-2.0	-114.77	361.76	6.93	-107.84
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300001772786	0	34	-2.0	-101.62	329.64	8.68	-92.94
CC1=C(C(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300001773099	0	42	-2.0	-104.18	375.29	6.41	-97.77
CC1=C(C(=O)[O-])C=C(CNC(=O)C2=CC(C)=CC=C2[N-]S(C)(=O)=O)O1	REAL300001774033	0	41	-2.0	-98.51	365.26	3.90	-94.61
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=CC(C(=O)[O-])=C(C)O1	REAL300001774348	0	41	-2.0	-99.44	365.33	4.12	-95.32
CC1=C(C(=O)[O-])C=C(CNC(=O)CN2C(=S)[N-]N=C2C2=CC=C(C)C=C2)O1	REAL300001774398	1	43	-2.0	-106.71	387.32	9.03	-97.68
CC1=C(C(=O)[O-])C=C(CNC(=O)C2=CC=C(S(=O)(=O)[N-]C(C)(C)C)O2)O1	REAL300001774841	1	44	-2.0	-95.22	391.76	2.33	-92.89
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=CC(C(=O)[O-])=C(C)O2)O1	REAL300001774842	1	35	-2.0	-94.80	336.31	-0.09	-94.89
CC1=C(C(=O)[O-])C=C(CNC(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)O1	REAL300001775115	0	38	-2.0	-98.17	343.86	3.22	-94.95
CC1=C(C(=O)[O-])C=C(CNC(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)O1	REAL300001775484	1	42	-2.0	-98.02	378.04	4.33	-93.69
CC1=C(C(=O)[O-])C=C(CNC(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)O1	REAL300001775720	0	38	-2.0	-93.37	350.27	3.29	-90.08
CC1=C(C(=O)[O-])C=C(CNC(=O)CC2=C(C)N=C(C3=CC=CN=C3)[N-]C2=O)O1	REAL300001775723	1	44	-2.0	-102.90	387.99	4.48	-98.42
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=CC(C(=O)[O-])=C(C)O1	REAL300001775726	0	44	-2.0	-99.85	386.83	4.91	-94.94
CC1=C(C(=O)[O-])C=C(CNC(=O)C2=C(C)N=C(C(C)(C)C)[N-]C2=O)O1	REAL300001775806	1	44	-2.0	-99.10	368.23	4.69	-94.41
CC1=C(C(=O)[O-])C=C(CNC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])O1	REAL300001776837	1	34	-2.0	-97.45	320.02	6.70	-90.75
CC1=C(C(=O)[O-])C=C(CNC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)O1	REAL300001776945	0	37	-2.0	-97.47	344.91	2.24	-95.23
CC1=C(C(=O)[O-])C=C(CNC(=O)C2=CN=C(C3CC3)[N-]C2=O)O1	REAL300001776978	1	36	-2.0	-97.50	322.73	3.66	-93.84
CC1=C(C(=O)[O-])C=C(CNC(=O)C2=NN(C3=CC=CC(C(C)C)=C3)C=C2[O-])O1	REAL300001777036	0	47	-2.0	-111.40	404.51	7.29	-104.11
CC1=C(C(=O)[O-])C=C(CNC(=O)C2=NN(C3=CC=C(C(C)C)C=C3)C=C2[O-])O1	REAL300001777037	0	47	-2.0	-109.72	404.44	7.29	-102.43
CC1=C(C(=O)[O-])C=C(CNC(=O)C2=NN(C3=CC=C(F)C=C3C)C=C2[O-])O1	REAL300001777127	0	41	-2.0	-106.38	371.96	6.40	-99.98
CC1=C(C(=O)[O-])C=C(CNC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])O1	REAL300001777132	0	38	-2.0	-107.26	350.66	5.44	-101.82
CC1=C(C(=O)[O-])C=C(CNC(=O)C2=C([O-])C3=CC=CC=C3C=N2)O1	REAL300001777163	1	36	-2.0	-108.75	323.82	6.32	-102.43
CC1=C(C(=O)[O-])C=C(CNC(=O)C2=NN(C3=CC(C)=CC=C3F)C=C2[O-])O1	REAL300001777316	0	41	-2.0	-113.69	369.00	6.02	-107.67
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC2=CC(C(=O)[O-])=C(C)O2)=N1	REAL300001777317	0	44	-2.0	-112.18	385.50	7.10	-105.08
CC1=C(C(=O)[O-])C=C(CNC(=O)CC2=C(C)N=C(C3=CC=NC=C3)[N-]C2=O)O1	REAL300001777388	1	44	-2.0	-101.46	388.18	4.46	-97.00
CC1=C(C(=O)[O-])C=C(CNC(=O)C2=CC(F)=C([O-])C(Cl)=C2)O1	REAL300001777438	0	31	-2.0	-90.77	305.68	4.71	-86.06
COC1=C(C(=O)NCC2=CC(C(=O)[O-])=C(C)O2)NC(=O)[N-]C1=O	REAL300001777449	1	34	-2.0	-94.15	311.86	-0.22	-94.37
CC1=C(C(=O)[O-])C=C(CNC(=O)C2=CC=C([O-])C(Cl)=C2)O1	REAL300001777574	0	31	-2.0	-90.44	299.47	4.64	-85.80
CCOC1=CC(C(=O)NCC2=CC(C(=O)[O-])=C(C)O2)=CC(Cl)=C1[O-]	REAL300001777577	1	38	-2.0	-94.92	350.52	5.69	-89.23
COC1=CC=C(N2C=C([O-])C(C(=O)NCC3=CC(C(=O)[O-])=C(C)O3)=N2)C=C1	REAL300001777589	0	42	-2.0	-109.96	373.73	4.67	-105.29
C[N-]S(=O)(=O)C1=CC(C(=O)NCC2=CC(C(=O)[O-])=C(C)O2)=CO1	REAL300001777612	1	35	-2.0	-94.39	335.44	-0.10	-94.49
CC1=C(C(=O)[O-])C=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)O1	REAL300001777769	0	34	-2.0	-87.92	319.22	2.79	-85.13
CC1=C(C(=O)[O-])C=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)O1	REAL300001777769	1	34	-2.0	-87.86	319.28	2.80	-85.06
COCC1=NC=C(C(=O)NCC2=CC(C(=O)[O-])=C(C)O2)C(=O)[N-]1	REAL300001778088	1	36	-2.0	-96.61	324.57	1.30	-95.31
CC1=C(C(=O)[O-])C=C(CNC(=O)C2=CN=C(C3CCC3)[N-]C2=O)O1	REAL300001778132	1	39	-2.0	-97.61	338.48	4.21	-93.40
CC1=C(C(=O)[O-])C=C(CNC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])O1	REAL300001778430	0	31	-2.0	-94.50	314.07	6.74	-87.76
CC1=C(C(=O)[O-])C=C(CNC(=O)C2=C(C)N=C(C3=CC=CO3)[N-]C2=O)O1	REAL300001778730	0	39	-2.0	-102.19	348.44	3.79	-98.40
O=C([O-])C1=C(C(F)(F)F)N(C2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C2)N=C1	REAL300001779416	0	38	-2.0	-86.52	347.03	4.85	-81.67
O=C([O-])C1=C(C(F)(F)F)N(C2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C2)N=C1	REAL300001779416	1	38	-2.0	-86.55	346.98	4.84	-81.71
O=C([O-])C1=C(C(F)(F)F)N(C2=CC=C(NC(=O)C3=CN=CC([O-])=C3)C=C2)N=C1	REAL300001779439	1	37	-2.0	-90.89	338.10	4.90	-85.99
O=C([O-])C1=C(C(F)(F)F)N(C2=CC=C(NC(=O)C3=C[N-]N=CC3=O)C=C2)N=C1	REAL300001779563	0	36	-2.0	-76.66	330.30	5.33	-71.33
O=C([O-])C1=C(C(F)(F)F)N(C2=CC(NC(=O)CCC3=NN=N[N-]3)=CC=C2)N=C1	REAL300001780082	0	38	-2.0	-95.18	346.99	4.85	-90.33
O=C([O-])C1=C(C(F)(F)F)N(C2=CC(NC(=O)CCC3=N[N-]N=N3)=CC=C2)N=C1	REAL300001780082	1	38	-2.0	-95.15	346.94	4.84	-90.31
O=C([O-])C1=C(C(F)(F)F)N(C2=CC(NC(=O)C3=CN=CC([O-])=C3)=CC=C2)N=C1	REAL300001780105	1	37	-2.0	-102.10	338.11	4.90	-97.20
O=C([O-])C1=C(C(F)(F)F)N(C2=CC(NC(=O)C3=C[N-]N=CC3=O)=CC=C2)N=C1	REAL300001780229	0	36	-2.0	-85.24	330.49	5.31	-79.93
CC1=C(CCC(=O)NCCCCCCC(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300001780605	1	56	-2.0	-99.25	448.78	7.36	-91.89
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCCCCCCC(=O)[O-])=C1	REAL300001780960	0	46	-2.0	-100.80	390.94	5.17	-95.63
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCCCCCC(=O)[O-]	REAL300001781270	0	46	-2.0	-101.70	391.01	5.39	-96.31
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCCCCCCC(=O)[O-])C=C1	REAL300001781320	1	48	-2.0	-107.47	413.00	10.31	-97.16
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCCCCCCC(=O)[O-])O1	REAL300001781772	1	49	-2.0	-88.96	417.44	3.61	-85.35
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCCCCCCC(=O)[O-])O1	REAL300001781773	1	40	-2.0	-88.59	361.99	1.20	-87.39
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCCCCCCC(=O)[O-])=C1	REAL300001782004	0	50	-2.0	-104.15	425.94	3.38	-100.77
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCCCCCC(=O)[O-]	REAL300001782050	0	43	-2.0	-100.43	369.55	4.50	-95.93
CC(C)C(=O)[N-]C1=NC(CC(=O)NCCCCCCC(=O)[O-])=CS1	REAL300001782422	1	47	-2.0	-101.20	403.73	5.60	-95.60
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCCCCCCC(=O)[O-]	REAL300001782659	0	43	-2.0	-94.26	375.96	4.56	-89.70
CC1=C(CC(=O)NCCCCCCC(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001782662	1	49	-2.0	-105.76	414.59	5.80	-99.96
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCCCCCC(=O)[O-]	REAL300001782665	0	49	-2.0	-102.25	412.51	6.18	-96.07
CC1=C(C(=O)NCCCCCCC(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300001782736	1	49	-2.0	-90.55	393.63	5.98	-84.57
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NCCCCCCC(=O)[O-]	REAL300001783500	0	49	-2.0	-106.05	415.43	6.75	-99.30
O=C([O-])CCCCCCNC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300001783694	1	39	-2.0	-101.30	345.70	7.97	-93.33
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCCCCCCC(=O)[O-])C=N1	REAL300001783795	0	42	-2.0	-93.64	370.60	3.52	-90.12
O=C([O-])CCCCCCNC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300001783825	1	41	-2.0	-89.84	348.41	4.93	-84.91
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCCCCCCC(=O)[O-])=N2)=C1	REAL300001783879	0	52	-2.0	-111.07	430.19	8.57	-102.50
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCCCCCCC(=O)[O-])=N2)C=C1	REAL300001783880	0	52	-2.0	-110.17	430.12	8.57	-101.60
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCCCCCCC(=O)[O-])=N1	REAL300001783958	0	46	-2.0	-107.62	397.66	7.67	-99.95
O=C([O-])CCCCCCNC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300001783963	0	43	-2.0	-109.05	376.34	6.72	-102.33
O=C([O-])CCCCCCNC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300001783989	1	41	-2.0	-109.05	349.50	7.60	-101.45
O=C([O-])CCCCCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300001784009	0	43	-2.0	-87.60	391.82	4.82	-82.78
O=C([O-])CCCCCCNC(=O)C1=CN=C(I)C([O-])=C1	REAL300001784058	0	35	-2.0	-90.69	331.06	4.54	-86.15
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCCCCCCC(=O)[O-])=N2)=C1	REAL300001784123	0	46	-2.0	-114.90	394.68	7.30	-107.60
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCCCCCCC(=O)[O-])=N1	REAL300001784124	0	49	-2.0	-112.79	411.18	8.38	-104.41
CC1=C(CC(=O)NCCCCCCC(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001784184	1	49	-2.0	-104.46	413.86	5.75	-98.71
O=C([O-])CCCCCCNC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300001784229	0	36	-2.0	-90.19	331.36	5.99	-84.20
COC1=C(C(=O)NCCCCCCC(=O)[O-])NC(=O)[N-]C1=O	REAL300001784237	1	39	-2.0	-92.68	337.51	1.06	-91.62
CCOC1=CC(C(=O)NCCCCCCC(=O)[O-])=CC(Cl)=C1[O-]	REAL300001784343	1	43	-2.0	-93.39	376.21	6.95	-86.44
O=C([O-])CCCCCCNC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300001784347	0	46	-2.0	-113.30	399.83	8.09	-105.21
COC1=CC=C(N2C=C([O-])C(C(=O)NCCCCCCC(=O)[O-])=N2)C=C1	REAL300001784355	0	47	-2.0	-110.13	399.41	5.95	-104.18
C[N-]S(=O)(=O)C1=CC(C(=O)NCCCCCCC(=O)[O-])=CO1	REAL300001784375	1	40	-2.0	-96.91	361.13	1.17	-95.74
O=C([O-])CCCCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300001784506	0	39	-2.0	-84.69	344.90	4.07	-80.62
O=C([O-])CCCCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300001784506	1	39	-2.0	-84.70	344.97	4.08	-80.62
COCC1=NC=C(C(=O)NCCCCCCC(=O)[O-])C(=O)[N-]1	REAL300001784783	1	41	-2.0	-89.41	350.25	2.57	-86.84
O=C([O-])CCCCCCNC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300001784824	1	44	-2.0	-89.74	364.16	5.48	-84.26
O=C([O-])CCCCCCNC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300001785084	0	36	-2.0	-96.95	339.76	8.01	-88.94
CC1=C(C(=O)NCCCCCCC(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300001785344	0	44	-2.0	-93.69	373.86	5.07	-88.62
CC1=C(CCC(=O)N(C)CC(C)C(=O)[O-])C(=O)NC(N2CCOCC2)=N1	REAL300001785758	0	50	-2.0	-100.12	394.07	6.86	-93.26
CC1=C(CCC(=O)N(C)CC(C)C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300001785758	1	50	-2.0	-100.12	394.07	6.86	-93.26
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300001786077	0	40	-2.0	-103.82	338.82	4.17	-99.65
CC(CN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1)C(=O)[O-]	REAL300001786328	1	44	-2.0	-101.70	380.45	6.52	-95.18
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N(C)CC(C)C(=O)[O-]	REAL300001786369	0	40	-2.0	-111.57	338.93	4.45	-107.12
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300001786407	1	42	-2.0	-110.25	358.72	9.83	-100.42
CC(CN(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300001786457	1	44	-2.0	-90.86	379.12	6.56	-84.30
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300001786459	1	47	-2.0	-97.57	393.18	7.28	-90.29
CC(CN(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300001786574	1	44	-2.0	-97.02	372.73	6.49	-90.53
CC(CN(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300001786575	1	44	-2.0	-103.38	374.04	6.46	-96.92
CC1=CC(C(=O)N(C)CC(C)C(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300001786587	0	40	-2.0	-86.47	356.18	4.66	-81.81
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)CC(C)C(=O)[O-])C=C2)C=C1	REAL300001786713	1	47	-2.0	-94.97	395.12	7.17	-87.80
CC(CN(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300001786797	0	41	-2.0	-104.47	365.09	5.49	-98.98
CC(CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300001786814	1	43	-2.0	-89.27	359.53	3.32	-85.95
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)CC(C)C(=O)[O-])O1	REAL300001786815	1	34	-2.0	-88.76	305.92	0.79	-87.97
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)CC(C)C(=O)[O-])=C2)C=C1	REAL300001786927	1	47	-2.0	-108.61	396.30	7.15	-101.46
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)CC(C)C(=O)[O-])=C2)=C1	REAL300001786966	1	47	-2.0	-109.11	396.30	7.15	-101.96
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300001787038	0	44	-2.0	-111.50	372.75	2.42	-109.08
CC(CN(C)C(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300001787086	0	37	-2.0	-109.33	316.66	3.52	-105.81
CC(CN(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C(=O)[O-]	REAL300001787094	0	41	-2.0	-106.99	363.73	5.47	-101.52
CC(CN(C)C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300001787095	0	44	-2.0	-116.84	394.10	6.61	-110.23
CC(C)C(=O)[N-]C1=NC(CC(=O)N(C)CC(C)C(=O)[O-])=CS1	REAL300001787409	1	41	-2.0	-111.71	350.15	5.13	-106.58
CC(CN(C)C(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300001787583	0	37	-2.0	-96.52	322.47	3.55	-92.97
CC1=C(CC(=O)N(C)CC(C)C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001787592	1	43	-2.0	-111.07	359.90	5.31	-105.76
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N(C)CC(C)C(=O)[O-]	REAL300001787597	0	43	-2.0	-112.17	360.44	5.23	-106.94
CC1=C(C(=O)N(C)CC(C)C(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300001787648	1	43	-2.0	-110.33	349.82	4.89	-105.44
CC(CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300001787755	1	44	-2.0	-94.11	372.84	6.48	-87.63
CC(CN(C)C(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300001788179	0	43	-2.0	-108.52	361.70	5.72	-102.80
CC(CN(C)C(=O)C1=CC(Br)=C([O-])C(Br)=C1)C(=O)[O-]	REAL300001788262	0	30	-2.0	-86.29	291.58	5.84	-80.45
CC(CN(C)C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300001788316	1	33	-2.0	-112.07	292.87	5.93	-106.14
CC(CN(C)C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300001788392	0	36	-2.0	-103.50	315.86	2.68	-100.82
CC(CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300001788446	1	43	-2.0	-90.73	368.76	4.73	-86.00
CC(C)C1=CC(N2C=C([O-])C(C(=O)N(C)CC(C)C(=O)[O-])=N2)=CC=C1	REAL300001788461	0	46	-2.0	-116.97	373.04	8.32	-108.65
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N(C)CC(C)C(=O)[O-])=N2)C=C1	REAL300001788462	0	46	-2.0	-115.97	372.96	8.32	-107.65
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(C)CC(C)C(=O)[O-])=N1	REAL300001788516	0	40	-2.0	-119.12	338.86	7.32	-111.80
CC(CN(C)C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300001788519	0	37	-2.0	-114.60	320.07	6.48	-108.12
CC(CN(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300001788547	0	37	-2.0	-93.64	333.33	3.90	-89.74
CC(CN(C)C(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300001788578	0	29	-2.0	-85.50	275.48	3.64	-81.86
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N(C)CC(C)C(=O)[O-])=N2)=C1	REAL300001788616	0	40	-2.0	-126.76	339.15	7.04	-119.72
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(C)CC(C)C(=O)[O-])=N1	REAL300001788617	0	43	-2.0	-124.86	355.53	8.15	-116.71
CC1=C(CC(=O)N(C)CC(C)C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001788641	1	43	-2.0	-109.67	360.05	5.28	-104.39
CCOC1=CC(C(=O)N(C)CC(C)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300001788714	1	37	-2.0	-97.04	321.59	6.12	-90.92
CC(CN(C)C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300001788718	0	40	-2.0	-118.25	348.01	7.26	-110.99
COC1=CC=C(N2C=C([O-])C(C(=O)N(C)CC(C)C(=O)[O-])=N2)C=C1	REAL300001788724	0	41	-2.0	-115.74	342.00	5.70	-110.04
C[N-]S(=O)(=O)C1=CC(C(=O)N(C)CC(C)C(=O)[O-])=CO1	REAL300001788739	1	34	-2.0	-88.80	301.33	0.34	-88.46
CC(CN(C)C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300001789201	0	30	-2.0	-107.81	286.77	6.33	-101.48
CC1=C(C(=O)N(C)CC(C)C(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300001789378	0	38	-2.0	-113.48	330.91	4.01	-109.47
CC1=C(CCC(=O)NCCCCCCC(=O)[O-])C(=O)NC(N2CCOCC2)=N1	REAL300001789786	0	56	-2.0	-99.25	448.78	7.36	-91.89
CC1=C(CCC(=O)NCCCCCCC(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300001789786	1	56	-2.0	-99.25	448.78	7.36	-91.89
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCCCCCCC(=O)[O-])=C1	REAL300001790141	0	46	-2.0	-100.80	390.94	5.17	-95.63
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCCCCCC(=O)[O-]	REAL300001790451	0	46	-2.0	-101.70	391.01	5.39	-96.31
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCCCCCCC(=O)[O-])C=C1	REAL300001790501	1	48	-2.0	-107.47	413.00	10.31	-97.16
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCCCCCCC(=O)[O-])O1	REAL300001790953	1	49	-2.0	-88.96	417.44	3.61	-85.35
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCCCCCCC(=O)[O-])O1	REAL300001790954	1	40	-2.0	-88.59	361.99	1.20	-87.39
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCCCCCCC(=O)[O-])=C1	REAL300001791185	0	50	-2.0	-104.15	425.94	3.38	-100.77
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCCCCCC(=O)[O-]	REAL300001791231	0	43	-2.0	-100.43	369.55	4.50	-95.93
CC(C)C(=O)[N-]C1=NC(CC(=O)NCCCCCCC(=O)[O-])=CS1	REAL300001791603	1	47	-2.0	-101.20	403.73	5.60	-95.60
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCCCCCCC(=O)[O-]	REAL300001791840	0	43	-2.0	-94.26	375.96	4.56	-89.70
CC1=C(CC(=O)NCCCCCCC(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001791843	1	49	-2.0	-105.76	414.59	5.80	-99.96
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCCCCCC(=O)[O-]	REAL300001791846	0	49	-2.0	-102.25	412.51	6.18	-96.07
CC1=C(C(=O)NCCCCCCC(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300001791917	1	49	-2.0	-90.55	393.63	5.98	-84.57
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NCCCCCCC(=O)[O-]	REAL300001792681	0	49	-2.0	-106.05	415.43	6.75	-99.30
O=C([O-])CCCCCCNC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300001792875	1	39	-2.0	-101.30	345.70	7.97	-93.33
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCCCCCCC(=O)[O-])C=N1	REAL300001792976	0	42	-2.0	-93.64	370.60	3.52	-90.12
O=C([O-])CCCCCCNC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300001793006	1	41	-2.0	-89.84	348.41	4.93	-84.91
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCCCCCCC(=O)[O-])=N2)=C1	REAL300001793060	0	52	-2.0	-111.07	430.19	8.57	-102.50
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCCCCCCC(=O)[O-])=N2)C=C1	REAL300001793061	0	52	-2.0	-110.17	430.12	8.57	-101.60
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCCCCCCC(=O)[O-])=N1	REAL300001793139	0	46	-2.0	-107.62	397.66	7.67	-99.95
O=C([O-])CCCCCCNC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300001793144	0	43	-2.0	-109.05	376.34	6.72	-102.33
O=C([O-])CCCCCCNC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300001793170	1	41	-2.0	-109.05	349.50	7.60	-101.45
O=C([O-])CCCCCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300001793190	0	43	-2.0	-87.60	391.82	4.82	-82.78
O=C([O-])CCCCCCNC(=O)C1=CN=C(I)C([O-])=C1	REAL300001793239	0	35	-2.0	-90.69	331.06	4.54	-86.15
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCCCCCCC(=O)[O-])=N2)=C1	REAL300001793304	0	46	-2.0	-114.90	394.68	7.30	-107.60
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCCCCCCC(=O)[O-])=N1	REAL300001793305	0	49	-2.0	-112.79	411.18	8.38	-104.41
CC1=C(CC(=O)NCCCCCCC(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001793365	1	49	-2.0	-104.46	413.86	5.75	-98.71
O=C([O-])CCCCCCNC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300001793410	0	36	-2.0	-90.19	331.36	5.99	-84.20
COC1=C(C(=O)NCCCCCCC(=O)[O-])NC(=O)[N-]C1=O	REAL300001793418	1	39	-2.0	-92.68	337.51	1.06	-91.62
CCOC1=CC(C(=O)NCCCCCCC(=O)[O-])=CC(Cl)=C1[O-]	REAL300001793524	1	43	-2.0	-93.39	376.21	6.95	-86.44
O=C([O-])CCCCCCNC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300001793528	0	46	-2.0	-113.30	399.83	8.09	-105.21
COC1=CC=C(N2C=C([O-])C(C(=O)NCCCCCCC(=O)[O-])=N2)C=C1	REAL300001793536	0	47	-2.0	-110.13	399.41	5.95	-104.18
C[N-]S(=O)(=O)C1=CC(C(=O)NCCCCCCC(=O)[O-])=CO1	REAL300001793556	1	40	-2.0	-96.91	361.13	1.17	-95.74
O=C([O-])CCCCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300001793687	0	39	-2.0	-84.69	344.90	4.07	-80.62
O=C([O-])CCCCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300001793687	1	39	-2.0	-84.70	344.97	4.08	-80.62
COCC1=NC=C(C(=O)NCCCCCCC(=O)[O-])C(=O)[N-]1	REAL300001793964	1	41	-2.0	-89.41	350.25	2.57	-86.84
O=C([O-])CCCCCCNC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300001794005	1	44	-2.0	-89.74	364.16	5.48	-84.26
O=C([O-])CCCCCCNC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300001794265	0	36	-2.0	-96.95	339.76	8.01	-88.94
CC1=C(C(=O)NCCCCCCC(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300001794525	0	44	-2.0	-93.69	373.86	5.07	-88.62
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300001795585	1	47	-2.0	-99.21	393.26	6.48	-92.73
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300001795855	1	47	-2.0	-107.63	393.03	6.72	-100.91
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)O1	REAL300001796271	1	41	-2.0	-88.72	363.99	2.52	-86.20
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)C=C1	REAL300001796508	0	44	-2.0	-98.35	370.11	5.77	-92.58
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)=CS1	REAL300001796843	1	48	-2.0	-110.26	405.76	6.93	-103.33
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)C=C1	REAL300001797059	0	44	-2.0	-96.19	378.25	5.88	-90.31
CC1=C(C(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300001797147	1	50	-2.0	-96.18	393.60	7.30	-88.88
COC1=CC=C(C(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)C([O-])=C1	REAL300001797643	1	41	-2.0	-116.98	336.94	7.46	-109.52
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2=CC=C([O-])C(F)=C2)C=C1	REAL300001798206	1	37	-2.0	-94.83	315.64	6.70	-88.13
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C=C1	REAL300001798219	1	40	-2.0	-108.02	346.22	9.15	-98.87
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300001798259	0	37	-2.0	-93.70	315.10	4.80	-88.90
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300001798259	1	37	-2.0	-93.66	315.16	4.82	-88.84
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C=C1	REAL300001798349	0	43	-2.0	-97.26	371.14	4.80	-92.46
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)C=C1	REAL300001798385	1	42	-2.0	-92.08	348.75	6.23	-85.85
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2=CN=CC([O-])=C2)C=C1	REAL300001798429	1	36	-2.0	-99.12	306.22	4.86	-94.26
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)=N1	REAL300001798541	0	47	-2.0	-113.85	392.93	8.91	-104.94
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C=C1	REAL300001798546	0	44	-2.0	-112.38	378.63	8.02	-104.36
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C=C1	REAL300001798592	0	42	-2.0	-117.38	351.51	8.81	-108.57
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC=C(C(C)(C)C(=O)[O-])C=C3)=N2)=C1	REAL300001798759	0	47	-2.0	-113.48	395.23	8.56	-104.92
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)=N1	REAL300001798760	0	50	-2.0	-111.76	411.62	9.66	-102.10
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C=C1	REAL300001798897	0	37	-2.0	-92.56	331.90	7.25	-85.31
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300001799018	0	40	-2.0	-103.38	334.85	5.55	-97.83
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300001799018	1	40	-2.0	-103.38	334.90	5.57	-97.81
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2=CC=C([O-])C(Cl)=C2)C=C1	REAL300001799058	0	37	-2.0	-92.35	327.18	7.24	-85.11
CCOC1=CC(C(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)=CC(Cl)=C1[O-]	REAL300001799062	1	44	-2.0	-96.44	376.75	8.22	-88.22
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(C(C)(C)C(=O)[O-])C=C3)=N2)C=C1	REAL300001799071	0	48	-2.0	-117.15	401.42	7.26	-109.89
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)=CO1	REAL300001799095	1	41	-2.0	-101.21	363.15	2.50	-98.71
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)C=C1	REAL300001799189	0	45	-2.0	-102.29	375.85	11.17	-91.12
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)C=C1	REAL300001799189	1	45	-2.0	-102.32	375.81	11.18	-91.14
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300001799263	0	40	-2.0	-86.78	345.16	5.35	-81.43
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300001799263	1	40	-2.0	-86.81	345.22	5.36	-81.45
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2=C[N-]N=CC2=O)C=C1	REAL300001799562	0	35	-2.0	-86.81	298.43	5.30	-81.51
COCC1=NC=C(C(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)C(=O)[N-]1	REAL300001799598	1	42	-2.0	-94.66	352.68	3.91	-90.75
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C=C1	REAL300001799648	1	45	-2.0	-94.60	364.84	6.76	-87.84
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C=C1	REAL300001799976	0	37	-2.0	-95.55	342.07	9.22	-86.33
CC1=C(CCC(=O)N2CCC(C)(C(=O)[O-])C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300001800816	1	51	-2.0	-118.33	403.01	6.94	-111.39
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300001801164	0	41	-2.0	-122.93	344.25	4.25	-118.68
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C)(C(=O)[O-])C1	REAL300001801474	0	41	-2.0	-108.67	344.48	4.42	-104.25
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300001801520	1	43	-2.0	-107.45	369.83	9.89	-97.56
CC1(C(=O)[O-])CCN(C(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3)C=C2)C1	REAL300001801702	1	45	-2.0	-96.85	381.12	6.45	-90.40
CC1(C(=O)[O-])CCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)C1	REAL300001801703	1	45	-2.0	-96.09	381.18	6.51	-89.58
CC1=CC(C(=O)N2CCC(C)(C(=O)[O-])C2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300001801716	0	41	-2.0	-93.85	362.20	4.73	-89.12
CC1(C(=O)[O-])CCN(C(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CS3)C=C2)C1	REAL300001801948	0	42	-2.0	-94.44	372.99	5.61	-88.83
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(C)(C(=O)[O-])C2)O1	REAL300001801966	1	44	-2.0	-89.83	368.30	3.21	-86.62
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(C)(C(=O)[O-])C2)O1	REAL300001801967	1	35	-2.0	-89.02	313.54	0.76	-88.26
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300001802207	0	45	-2.0	-122.90	378.39	2.47	-120.43
CC1(C(=O)[O-])CCN(C(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)C1	REAL300001802253	0	38	-2.0	-107.19	323.01	3.52	-103.67
CC1(C(=O)[O-])CCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CS3)=C2)C1	REAL300001802261	0	42	-2.0	-94.61	373.26	5.45	-89.16
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC(C)(C(=O)[O-])C2)=CS1	REAL300001802613	1	42	-2.0	-101.47	359.17	5.26	-96.21
CC1(C(=O)[O-])CCN(C(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)C1	REAL300001802821	0	38	-2.0	-107.54	329.77	3.65	-103.89
CC1=C(CC(=O)N2CCC(C)(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001802828	1	44	-2.0	-107.32	370.15	5.36	-101.96
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C)(C(=O)[O-])C1	REAL300001802833	0	44	-2.0	-109.27	365.98	5.21	-104.06
CC1=C(C(=O)N2CCC(C)(C(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300001802895	1	44	-2.0	-100.94	357.98	5.00	-95.94
CC1(C(=O)[O-])CCN(C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3)C=C2)C1	REAL300001802994	1	45	-2.0	-92.93	381.31	6.45	-86.48
CC1(C(=O)[O-])CCN(C(=O)C2=CC3=CC=CC=C3C=C2[N-]S(C)(=O)=O)C1	REAL300001803543	0	44	-2.0	-103.46	369.12	5.83	-97.63
CC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300001803712	1	34	-2.0	-108.80	299.11	6.78	-102.02
CC1(C(=O)[O-])CCN(C(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C1	REAL300001803799	0	37	-2.0	-94.25	321.36	2.66	-91.59
CC1(C(=O)[O-])CCN(C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=NC=C3)C=C2)C1	REAL300001803860	1	44	-2.0	-88.26	376.27	4.84	-83.42
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC(C)(C(=O)[O-])C3)=N2)=C1	REAL300001803875	0	47	-2.0	-113.46	381.44	8.36	-105.10
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC(C)(C(=O)[O-])C3)=N2)C=C1	REAL300001803876	0	47	-2.0	-113.88	384.16	8.28	-105.60
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC(C)(C(=O)[O-])C2)=N1	REAL300001803945	0	41	-2.0	-122.30	348.87	7.49	-114.81
CC1(C(=O)[O-])CCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1	REAL300001803949	0	38	-2.0	-112.10	330.38	6.43	-105.67
CC1(C(=O)[O-])CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300001803970	1	36	-2.0	-113.53	300.78	7.70	-105.83
CC1(C(=O)[O-])CCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)C1	REAL300001803988	0	38	-2.0	-81.90	342.71	3.95	-77.95
CC1(C(=O)[O-])CCN(C(=O)C2=CN=C(I)C([O-])=C2)C1	REAL300001804026	0	30	-2.0	-92.13	282.06	3.57	-88.56
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC(C)(C(=O)[O-])C3)=N2)=C1	REAL300001804075	0	41	-2.0	-116.31	345.93	7.09	-109.22
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC(C)(C(=O)[O-])C2)=N1	REAL300001804076	0	44	-2.0	-127.69	360.18	8.05	-119.64
CC1=C(CC(=O)N2CCC(C)(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001804117	1	44	-2.0	-103.48	368.47	5.33	-98.15
CC1(C(=O)[O-])CCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300001804149	0	31	-2.0	-86.32	282.28	5.12	-81.20
CCOC1=CC(C(=O)N2CCC(C)(C(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300001804233	1	38	-2.0	-90.47	327.12	6.10	-84.37
CC1(C(=O)[O-])CCN(C(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])C1	REAL300001804237	0	41	-2.0	-129.45	351.98	7.67	-121.78
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC(C)(C(=O)[O-])C3)=N2)C=C1	REAL300001804244	0	42	-2.0	-114.00	353.45	5.66	-108.34
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(C)(C(=O)[O-])C2)=CO1	REAL300001804261	1	35	-2.0	-107.16	310.54	0.46	-106.70
CC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300001804381	0	34	-2.0	-93.12	296.18	4.06	-89.06
CC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300001804381	1	34	-2.0	-93.12	296.24	4.09	-89.03
CC1(C(=O)[O-])CCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300001804641	1	39	-2.0	-107.85	325.33	4.69	-103.16
CC1(C(=O)[O-])CCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300001804844	0	31	-2.0	-104.24	293.19	6.83	-97.41
CC1=C(C(=O)N2CCC(C)(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300001805067	0	39	-2.0	-132.89	336.57	4.25	-128.64
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300001806064	1	43	-2.0	-130.96	383.62	10.43	-120.53
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=CC=C2)O1	REAL300001806427	1	44	-2.0	-102.56	387.42	3.76	-98.80
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=CC=C2)O1	REAL300001806428	1	35	-2.0	-101.05	332.66	1.32	-99.73
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(C(=O)[O-])C2=CC=CC=C2)=CS1	REAL300001806926	1	42	-2.0	-120.41	374.42	5.72	-114.69
CC1=C(CC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001807119	1	44	-2.0	-121.96	385.21	5.91	-116.05
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CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3=CC=CC=C3)=N2)=C1	REAL300001808120	0	47	-2.0	-139.65	400.62	8.77	-130.88
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3=CC=CC=C3)=N2)C=C1	REAL300001808121	0	47	-2.0	-138.01	400.55	8.77	-129.24
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300001808177	0	41	-2.0	-134.19	368.33	7.78	-126.41
O=C([O-])C(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1=CC=CC=C1	REAL300001808182	0	38	-2.0	-134.98	346.77	6.92	-128.06
O=C([O-])C(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=CC=CC=C1	REAL300001808204	1	36	-2.0	-141.10	319.92	7.78	-133.32
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CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3=CC=CC=C3)=N2)=C1	REAL300001808319	0	41	-2.0	-142.36	365.35	7.41	-134.95
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300001808320	0	44	-2.0	-141.24	381.86	8.51	-132.73
CC1=C(CC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001808367	1	44	-2.0	-119.13	383.87	5.91	-113.22
O=C([O-])C(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=CC=CC=C1	REAL300001808409	0	31	-2.0	-101.04	301.76	6.19	-94.85
COC1=C(C(=O)NC(C(=O)[O-])C2=CC=CC=C2)NC(=O)[N-]C1=O	REAL300001808415	1	34	-2.0	-101.90	308.13	1.19	-100.71
O=C([O-])C(NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=CC=CC=C1	REAL300001808500	0	31	-2.0	-103.43	295.77	6.06	-97.37
CCOC1=CC(C(=O)NC(C(=O)[O-])C2=CC=CC=C2)=CC(Cl)=C1[O-]	REAL300001808504	1	38	-2.0	-106.74	346.87	7.10	-99.64
COC1=CC=C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3=CC=CC=C3)=N2)C=C1	REAL300001808512	0	42	-2.0	-137.55	369.84	6.15	-131.40
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C(=O)[O-])C2=CC=CC=C2)=CO1	REAL300001808524	1	35	-2.0	-106.18	331.16	1.34	-104.84
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=C1	REAL300001808640	0	34	-2.0	-95.17	315.56	4.17	-91.00
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=C1	REAL300001808640	1	34	-2.0	-95.16	315.63	4.20	-90.96
COCC1=NC=C(C(=O)NC(C(=O)[O-])C2=CC=CC=C2)C(=O)[N-]1	REAL300001808872	1	36	-2.0	-116.96	320.57	2.79	-114.17
O=C([O-])C(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1=CC=CC=C1	REAL300001808909	1	39	-2.0	-119.01	334.86	5.60	-113.41
O=C([O-])C(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=CC=CC=C1	REAL300001809126	0	31	-2.0	-119.71	310.14	8.20	-111.51
CC1=C(CCC(=O)NCC(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300001809612	1	41	-2.0	-96.66	340.65	3.58	-93.08
CCC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)NCC(=O)[O-])=CC=C2OC)C=C1	REAL300001809623	0	45	-2.0	-101.91	393.19	4.83	-97.08
O=C([O-])CNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)NC2=C1	REAL300001809641	0	39	-2.0	-100.79	355.41	0.68	-100.11
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)NCC(=O)[O-])=C1	REAL300001809644	1	41	-2.0	-102.23	358.13	5.04	-97.19
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C1C	REAL300001809666	1	41	-2.0	-97.85	360.39	4.80	-93.05
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C1	REAL300001809862	1	42	-2.0	-94.17	373.32	3.82	-90.35
COC1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)NCC(=O)[O-])=C1	REAL300001809864	0	39	-2.0	-97.57	368.13	3.43	-94.14
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C=CC(=O)NCC(=O)[O-])C=C1	REAL300001809876	0	43	-2.0	-94.86	385.90	4.12	-90.74
O=C([O-])CNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300001809946	0	41	-2.0	-106.50	364.16	3.02	-103.48
O=C([O-])CNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1	REAL300001809948	1	35	-2.0	-89.94	328.59	3.64	-86.30
O=C([O-])CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C3OCCOC3=C2)C=C1	REAL300001809952	1	41	-2.0	-96.65	366.46	2.75	-93.90
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NCC(=O)[O-])=C2)C=C1F	REAL300001809972	1	38	-2.0	-93.50	348.87	4.30	-89.20
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC(=O)[O-])C=C1	REAL300001810005	1	33	-2.0	-101.71	304.87	6.53	-95.18
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C1	REAL300001810030	1	42	-2.0	-87.66	373.51	3.80	-83.86
O=C([O-])CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300001810032	1	35	-2.0	-89.89	328.37	3.66	-86.23
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300001810033	1	38	-2.0	-88.49	342.04	4.36	-84.13
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1C	REAL300001810037	1	41	-2.0	-89.81	359.05	4.90	-84.91
COC1=CC=C(C(=O)NCC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1	REAL300001810043	0	42	-2.0	-101.88	371.71	4.06	-97.82
O=C([O-])CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300001810116	1	35	-2.0	-96.59	321.97	3.59	-93.00
O=C([O-])CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300001810117	1	38	-2.0	-94.85	353.21	4.34	-90.51
O=C([O-])CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300001810118	1	35	-2.0	-96.35	322.15	3.60	-92.75
CC1=CC(C(=O)NCC(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300001810132	0	31	-2.0	-80.80	303.40	1.77	-79.03
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C1[N+](=O)[O-]	REAL300001810164	1	40	-2.0	-94.24	368.86	4.90	-89.34
O=C([O-])CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C3OCCOC3=C2)=C1	REAL300001810170	1	41	-2.0	-96.61	366.64	2.76	-93.85
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C1	REAL300001810194	1	38	-2.0	-89.23	343.54	4.27	-84.96
O=C([O-])CNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300001810257	0	37	-2.0	-102.52	347.89	4.53	-97.99
O=C([O-])CNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2)=C1	REAL300001810258	1	35	-2.0	-91.29	338.90	4.10	-87.19
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)NCC(=O)[O-])=C1	REAL300001810259	0	39	-2.0	-99.82	351.40	2.92	-96.90
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NCC(=O)[O-])=C2)C=C1	REAL300001810260	1	39	-2.0	-94.61	351.69	2.87	-91.74
O=C([O-])CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C=C1	REAL300001810262	0	37	-2.0	-93.97	350.20	4.27	-89.70
O=C([O-])CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300001810266	0	32	-2.0	-93.23	313.90	2.60	-90.63
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])O1	REAL300001810275	1	34	-2.0	-90.69	307.48	-0.06	-90.75
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NCC(=O)[O-])=C2)C=C1	REAL300001810320	1	38	-2.0	-96.57	343.57	4.25	-92.32
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)NCC(=O)[O-])=CC=C2C)C=C1	REAL300001810325	1	41	-2.0	-96.74	359.00	5.03	-91.71
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=CC=C1F	REAL300001810330	1	38	-2.0	-90.38	348.69	4.29	-86.09
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300001810331	1	38	-2.0	-88.30	343.85	4.44	-83.86
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)NCC(=O)[O-])=CC=C1F	REAL300001810335	0	38	-2.0	-99.43	346.39	4.56	-94.87
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300001810358	0	39	-2.0	-92.38	351.37	2.93	-89.45
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2)C=C1C(=O)NCC(=O)[O-]	REAL300001810361	1	38	-2.0	-96.04	344.66	4.34	-91.70
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)NCC(=O)[O-])=CC=C2C)=C1	REAL300001810362	1	41	-2.0	-97.11	359.00	5.02	-92.09
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)NCC(=O)[O-])=C2)=C1	REAL300001810364	1	38	-2.0	-97.00	343.57	4.25	-92.75
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)NCC(=O)[O-])=C2)=C1	REAL300001810366	1	41	-2.0	-103.56	359.65	4.94	-98.62
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NCC(=O)[O-])=C2)=C1	REAL300001810375	1	41	-2.0	-96.41	359.05	5.04	-91.37
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC(=O)[O-])=C1	REAL300001810416	0	35	-2.0	-108.47	317.80	-0.40	-108.87
O=C([O-])CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300001810458	0	32	-2.0	-94.61	314.08	2.61	-92.00
O=C([O-])CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300001810459	0	35	-2.0	-100.29	338.73	3.28	-97.01
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C1	REAL300001810655	1	39	-2.0	-87.55	351.66	2.87	-84.68
CC1=C(CC(=O)NCC(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001810700	1	34	-2.0	-103.03	306.46	2.02	-101.01
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(=O)[O-]	REAL300001810703	0	34	-2.0	-99.49	304.38	2.39	-97.10
O=C([O-])CNC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(=O)(=O)C1=CC=CS1	REAL300001810798	0	38	-2.0	-108.18	357.46	5.14	-103.04
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300001810804	1	35	-2.0	-88.47	322.13	3.59	-84.88
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)NCC(=O)[O-])=C1	REAL300001810806	0	41	-2.0	-105.67	356.56	5.30	-100.37
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NCC(=O)[O-]	REAL300001810963	0	34	-2.0	-101.79	307.30	2.97	-98.82
O=C([O-])CNC(=O)C1=CC(Br)=C([O-])C(Br)=C1	REAL300001810996	0	21	-2.0	-81.89	241.80	2.92	-78.97
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300001811061	1	34	-2.0	-84.70	317.17	1.82	-82.88
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCC(=O)[O-])=N2)=C1	REAL300001811070	0	37	-2.0	-114.76	322.06	4.79	-109.97
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC(=O)[O-])=N2)C=C1	REAL300001811071	0	37	-2.0	-112.59	321.99	4.79	-107.80
O=C([O-])CNC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300001811094	0	28	-2.0	-80.64	283.69	1.03	-79.61
O=C([O-])CNC(=O)C1=CN=C(I)C([O-])=C1	REAL300001811104	0	20	-2.0	-84.42	222.93	0.76	-83.66
CC1=C(CC(=O)NCC(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001811123	1	34	-2.0	-101.46	305.73	1.96	-99.50
O=C([O-])CNC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300001811146	0	31	-2.0	-119.88	291.70	4.30	-115.58
CC1=C(CCC(=O)N2CCOC(C(=O)[O-])C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300001811654	1	49	-2.0	-101.73	393.00	5.71	-96.02
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300001812000	0	39	-2.0	-105.05	335.48	2.97	-102.08
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCOC(C(=O)[O-])C1	REAL300001812310	0	39	-2.0	-106.73	335.94	3.21	-103.52
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300001812356	1	41	-2.0	-113.52	356.44	8.57	-104.95
O=C([O-])C1CN(C(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3)C=C2)CCO1	REAL300001812538	1	43	-2.0	-97.81	372.35	5.30	-92.51
O=C([O-])C1CN(C(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)CCO1	REAL300001812539	1	43	-2.0	-97.42	372.55	5.32	-92.10
CC1=CC(C(=O)N2CCOC(C(=O)[O-])C2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300001812552	0	39	-2.0	-86.54	353.85	3.50	-83.04
O=C([O-])C1CN(C(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CS3)C=C2)CCO1	REAL300001812783	0	40	-2.0	-99.64	364.28	4.30	-95.34
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCOC(C(=O)[O-])C2)O1	REAL300001812802	1	42	-2.0	-109.08	357.32	1.81	-107.27
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCOC(C(=O)[O-])C2)O1	REAL300001812803	1	33	-2.0	-107.87	301.86	-0.59	-108.46
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300001813040	0	43	-2.0	-111.89	371.86	1.20	-110.69
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCOC(C(=O)[O-])C1	REAL300001813084	0	36	-2.0	-105.35	314.47	2.31	-103.04
O=C([O-])C1CN(C(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CS3)=C2)CCO1	REAL300001813091	0	40	-2.0	-95.94	364.37	4.30	-91.64
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCOC(C(=O)[O-])C2)=CS1	REAL300001813440	1	40	-2.0	-107.61	346.83	3.91	-103.70
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCOC(C(=O)[O-])C1	REAL300001813655	0	36	-2.0	-97.78	320.49	2.37	-95.41
CC1=C(CC(=O)N2CCOC(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001813662	1	42	-2.0	-112.72	356.78	4.07	-108.65
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCOC(C(=O)[O-])C1	REAL300001813667	0	42	-2.0	-107.22	357.44	4.00	-103.22
CC1=C(C(=O)N2CCOC(C(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300001813730	1	42	-2.0	-105.86	347.14	3.72	-102.14
O=C([O-])C1CN(C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3)C=C2)CCO1	REAL300001813828	1	43	-2.0	-94.56	372.42	5.30	-89.26
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)N1CCOC(C(=O)[O-])C1	REAL300001814380	0	42	-2.0	-108.71	361.75	4.62	-104.09
O=C([O-])C1CN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CCO1	REAL300001814549	1	32	-2.0	-106.70	290.57	4.79	-101.91
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCOC(C(=O)[O-])C2)C=N1	REAL300001814638	0	35	-2.0	-100.09	313.71	1.52	-98.57
O=C([O-])C1CN(C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=NC=C3)C=C2)CCO1	REAL300001814700	1	42	-2.0	-91.12	367.46	3.52	-87.60
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCOC(C(=O)[O-])C3)=N2)=C1	REAL300001814715	0	45	-2.0	-117.47	370.36	7.12	-110.35
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCOC(C(=O)[O-])C3)=N2)C=C1	REAL300001814716	0	45	-2.0	-116.61	370.29	7.10	-109.51
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCOC(C(=O)[O-])C2)=N1	REAL300001814784	0	39	-2.0	-112.02	342.65	5.64	-106.38
O=C([O-])C1CN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CCO1	REAL300001814788	0	36	-2.0	-115.11	316.51	5.26	-109.85
O=C([O-])C1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)CCO1	REAL300001814810	1	34	-2.0	-118.62	292.00	5.85	-112.77
O=C([O-])C1CN(C(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)CCO1	REAL300001814828	0	36	-2.0	-83.58	334.09	2.75	-80.83
O=C([O-])C1CN(C(=O)C2=CN=C(I)C([O-])=C2)CCO1	REAL300001814868	0	28	-2.0	-90.59	273.22	2.40	-88.19
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCOC(C(=O)[O-])C3)=N2)=C1	REAL300001814918	0	39	-2.0	-121.07	334.56	5.82	-115.25
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCOC(C(=O)[O-])C2)=N1	REAL300001814919	0	42	-2.0	-115.81	355.55	6.35	-109.46
CC1=C(CC(=O)N2CCOC(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001814964	1	42	-2.0	-111.29	356.91	4.06	-107.23
O=C([O-])C1CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)CCO1	REAL300001814998	0	29	-2.0	-94.91	273.66	3.92	-90.99
CCOC1=CC(C(=O)N2CCOC(C(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300001815084	1	36	-2.0	-93.60	318.62	4.91	-88.69
O=C([O-])C1CN(C(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])CCO1	REAL300001815088	0	39	-2.0	-119.14	345.20	6.02	-113.12
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCOC(C(=O)[O-])C3)=N2)C=C1	REAL300001815095	0	40	-2.0	-116.74	339.57	4.49	-112.25
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCOC(C(=O)[O-])C2)=CO1	REAL300001815112	1	33	-2.0	-90.13	300.77	-0.83	-90.96
O=C([O-])C1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCO1	REAL300001815233	0	32	-2.0	-85.35	284.81	2.81	-82.54
O=C([O-])C1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCO1	REAL300001815233	1	32	-2.0	-85.33	284.88	2.81	-82.52
O=C([O-])C1CN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)CCO1	REAL300001815498	1	37	-2.0	-96.12	305.72	3.30	-92.82
O=C([O-])C1CN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCO1	REAL300001815714	0	29	-2.0	-102.55	284.63	4.81	-97.74
CC1=C(C(=O)N2CCOC(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300001815946	0	37	-2.0	-109.02	325.25	2.87	-106.15
CC[C@H](C)[C@H](NC(=O)CCC1=C(C)N=C(N2CCOCC2)NC1=O)C(=O)[O-]	REAL300001816344	0	53	-2.0	-115.96	414.51	6.35	-109.61
CC[C@H](C)[C@H](NC(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O)C(=O)[O-]	REAL300001816344	1	53	-2.0	-115.96	414.51	6.35	-109.61
CC[C@H](C)[C@H](NC(=O)CN1C(=S)NN=C1C1=CC=C(C)C=C1)C(=O)[O-]	REAL300001816873	0	45	-2.0	-129.17	377.44	9.32	-119.85
CC[C@H](C)[C@H](NC(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1)C(=O)[O-]	REAL300001816873	1	45	-2.0	-129.17	377.44	9.32	-119.85
CC[C@H](C)[C@H](NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300001817019	1	47	-2.0	-108.07	395.82	6.41	-101.66
CC[C@H](C)[C@H](NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300001817020	1	47	-2.0	-113.62	396.01	6.39	-107.23
CC[C@H](C)[C@H](NC(=O)C1=CC=C([N-]S(=O)(=O)C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300001817031	0	43	-2.0	-92.64	377.26	4.59	-88.05
CC[C@H](C)[C@H](NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300001817214	0	44	-2.0	-106.31	387.75	5.41	-100.90
CC[C@H](C)[C@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300001817232	1	46	-2.0	-98.22	382.47	2.64	-95.58
CC[C@H](C)[C@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C)O1)C(=O)[O-]	REAL300001817233	1	37	-2.0	-96.51	326.08	0.21	-96.30
CC[C@H](C)[C@H](NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C(=O)[O-]	REAL300001817458	0	44	-2.0	-111.75	387.94	5.41	-106.34
CC[C@H](C)[C@H](NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1)C(=O)[O-]	REAL300001817710	1	44	-2.0	-112.59	369.45	4.61	-107.98
CC[C@H](C)[C@H](NC(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O)C(=O)[O-]	REAL300001817886	1	46	-2.0	-116.34	378.66	4.80	-111.54
CC[C@H](C)[C@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300001818016	1	47	-2.0	-100.94	395.28	6.44	-94.50
CC[C@H](C)[C@H](NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300001818550	1	36	-2.0	-119.48	310.69	7.02	-112.46
CC[C@H](C)[C@H](NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300001818618	0	39	-2.0	-104.73	336.30	2.55	-102.18
CC[C@H](C)[C@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300001818664	1	46	-2.0	-97.35	391.04	4.63	-92.72
CC[C@H](C)[C@H](NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-])C(=O)[O-]	REAL300001818678	0	49	-2.0	-134.01	395.90	7.58	-126.43
CC[C@H](C)[C@H](NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])C(=O)[O-]	REAL300001818679	0	49	-2.0	-132.55	395.83	7.58	-124.97
CC[C@H](C)[C@H](NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-])C(=O)[O-]	REAL300001818725	0	43	-2.0	-128.84	363.41	6.69	-122.15
CC[C@H](C)[C@H](NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300001818729	0	40	-2.0	-129.93	342.07	5.72	-124.21
CC[C@H](C)[C@H](NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(=O)[O-]	REAL300001818745	1	38	-2.0	-135.19	315.23	6.59	-128.60
CC[C@H](C)[C@H](NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300001818761	0	40	-2.0	-97.59	357.55	3.83	-93.76
CC[C@H](C)[C@H](NC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300001818793	0	32	-2.0	-100.48	296.07	3.59	-96.89
CC[C@H](C)[C@H](NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-])C(=O)[O-]	REAL300001818826	0	43	-2.0	-137.19	360.39	6.31	-130.88
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)=N1	REAL300001818827	0	46	-2.0	-135.36	368.29	7.45	-127.91
CC[C@H](C)[C@H](NC(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O)C(=O)[O-]	REAL300001818855	1	46	-2.0	-115.22	379.59	4.74	-110.48
CC[C@H](C)[C@H](NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300001818882	0	33	-2.0	-97.65	295.43	5.02	-92.63
CCOC1=CC(C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)=CC(Cl)=C1[O-]	REAL300001818942	1	40	-2.0	-102.62	340.29	5.99	-96.63
CC[C@H](C)[C@H](NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300001818945	0	43	-2.0	-137.78	363.90	7.09	-130.69
CC[C@H](C)[C@H](NC(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-])C(=O)[O-]	REAL300001818949	0	44	-2.0	-132.06	363.50	4.96	-127.10
CC[C@H](C)[C@H](NC(=O)C1=COC(S(=O)(=O)[N-]C)=C1)C(=O)[O-]	REAL300001818959	1	37	-2.0	-103.68	326.14	0.22	-103.46
CC[C@H](C)[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300001819054	0	36	-2.0	-90.93	308.97	3.09	-87.84
CC[C@H](C)[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300001819054	1	36	-2.0	-90.90	309.04	3.09	-87.81
CC[C@H](C)[C@H](NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(=O)[O-]	REAL300001819257	1	41	-2.0	-110.93	328.31	4.49	-106.44
CC[C@H](C)[C@H](NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300001819420	0	33	-2.0	-115.31	304.78	7.05	-108.26
CC1=C(CCC(=O)N(CC(=O)[O-])C2CC2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300001819916	1	48	-2.0	-114.35	382.44	7.25	-107.10
O=C([O-])CN(C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1)C1CC1	REAL300001820323	1	42	-2.0	-92.01	367.37	7.11	-84.90
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N(CC(=O)[O-])C2CC2)C=C1	REAL300001820383	1	40	-2.0	-113.09	352.31	10.27	-102.82
O=C([O-])CN(C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1)C1CC1	REAL300001820428	1	42	-2.0	-104.05	366.47	6.94	-97.11
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N(CC(=O)[O-])C2CC2)C=C1	REAL300001820430	1	45	-2.0	-96.91	380.20	7.64	-89.27
O=C([O-])CN(C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C1CC1	REAL300001820518	1	42	-2.0	-111.74	360.06	6.87	-104.87
O=C([O-])CN(C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C1CC1	REAL300001820519	1	42	-2.0	-104.76	360.92	7.06	-97.70
CC1=CC(C(=O)N(CC(=O)[O-])C2CC2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300001820528	0	38	-2.0	-94.81	342.15	5.25	-89.56
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N(CC(=O)[O-])C3CC3)C=C2)C=C1	REAL300001820622	1	45	-2.0	-97.61	381.69	7.55	-90.06
O=C([O-])CN(C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C1CC1	REAL300001820688	0	39	-2.0	-109.51	352.00	5.87	-103.64
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N(CC(=O)[O-])C2CC2)O1	REAL300001820705	1	41	-2.0	-113.17	348.65	3.81	-109.36
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(CC(=O)[O-])C2CC2)O1	REAL300001820706	1	32	-2.0	-110.85	293.89	1.36	-109.49
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N(CC(=O)[O-])C3CC3)=C2)C=C1	REAL300001820798	1	45	-2.0	-98.96	382.34	7.72	-91.24
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)N(CC(=O)[O-])C3CC3)=C2)=C1	REAL300001820823	1	45	-2.0	-99.43	382.35	7.72	-91.71
O=C([O-])CN(C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C1CC1	REAL300001820912	0	39	-2.0	-102.68	352.85	6.05	-96.63
O=C([O-])CN(C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C1CC1	REAL300001820913	0	42	-2.0	-113.19	385.86	7.06	-106.13
CC(C)C(=O)[N-]C1=NC(CC(=O)N(CC(=O)[O-])C2CC2)=CS1	REAL300001821127	1	39	-2.0	-99.65	340.03	5.74	-93.91
CC1=C(CC(=O)N(CC(=O)[O-])C2CC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001821272	1	41	-2.0	-126.92	352.66	5.76	-121.16
O=C([O-])CN(C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C1CC1	REAL300001821400	1	42	-2.0	-97.75	361.06	6.98	-90.77
O=C([O-])CN(C(=O)C1=CC(Br)=C([O-])C(Br)=C1)C1CC1	REAL300001821776	0	28	-2.0	-91.63	280.72	6.29	-85.34
O=C([O-])CN(C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1CC1	REAL300001821812	1	31	-2.0	-100.82	277.12	7.09	-93.73
CS(=O)(=O)[N-]C1=CC=C(C(=O)N(CC(=O)[O-])C2CC2)C=N1	REAL300001821868	0	34	-2.0	-109.60	301.29	3.07	-106.53
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CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N(CC(=O)[O-])C3CC3)=N2)=C1	REAL300001821922	0	44	-2.0	-133.72	362.36	8.93	-124.79
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N(CC(=O)[O-])C3CC3)=N2)C=C1	REAL300001821923	0	44	-2.0	-131.18	362.83	8.97	-122.21
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(CC(=O)[O-])C2CC2)=N1	REAL300001821959	0	38	-2.0	-126.09	327.55	7.64	-118.45
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O=C([O-])CN(C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C1CC1	REAL300001821983	0	35	-2.0	-87.21	322.45	4.48	-82.73
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CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N(CC(=O)[O-])C3CC3)=N2)=C1	REAL300001822031	0	38	-2.0	-134.63	326.90	7.68	-126.95
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(CC(=O)[O-])C2CC2)=N1	REAL300001822032	0	41	-2.0	-132.80	340.27	8.58	-124.22
CC1=C(CC(=O)N(CC(=O)[O-])C2CC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001822045	1	41	-2.0	-113.29	347.50	5.64	-107.65
CCOC1=CC(C(=O)N(CC(=O)[O-])C2CC2)=CC(Cl)=C1[O-]	REAL300001822095	1	35	-2.0	-101.16	307.05	6.55	-94.61
O=C([O-])CN(C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C1CC1	REAL300001822098	0	38	-2.0	-142.44	337.75	7.89	-134.55
COC1=CC=C(N2C=C([O-])C(C(=O)N(CC(=O)[O-])C3CC3)=N2)C=C1	REAL300001822101	0	39	-2.0	-130.42	332.12	6.35	-124.07
C[N-]S(=O)(=O)C1=CC(C(=O)N(CC(=O)[O-])C2CC2)=CO1	REAL300001822110	1	32	-2.0	-95.30	289.52	0.93	-94.37
O=C([O-])CN(C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CC1	REAL300001822443	0	28	-2.0	-99.48	271.18	7.12	-92.36
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC(=O)[O-])C2=CC=C(F)C=C2)O1	REAL300001823721	1	38	-2.0	-95.28	360.62	2.42	-92.86
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(CC(=O)[O-])C2=CC=C(F)C=C2)=CS1	REAL300001824156	1	45	-2.0	-107.15	402.37	6.82	-100.33
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O=C([O-])CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL300001825269	1	34	-2.0	-91.12	304.46	4.04	-87.08
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(CC(=O)[O-])C2=CC=C(F)C=C2)C=N1	REAL300001825338	0	40	-2.0	-95.38	362.21	4.07	-91.31
O=C([O-])CC(NC(=O)C1=CN=CC([O-])=C1)C1=CC=C(F)C=C1	REAL300001825398	1	33	-2.0	-97.47	295.81	4.08	-93.39
O=C([O-])CC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1=CC=C(F)C=C1	REAL300001825481	0	41	-2.0	-119.83	374.97	7.94	-111.89
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CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CC(=O)[O-])C2=CC=C(F)C=C2)=N1	REAL300001825649	0	47	-2.0	-127.42	409.57	9.81	-117.61
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COC1=C(C(=O)NC(CC(=O)[O-])C2=CC=C(F)C=C2)NC(=O)[N-]C1=O	REAL300001825771	1	37	-2.0	-96.32	335.97	2.38	-93.94
O=C([O-])CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL300001825849	0	37	-2.0	-101.82	325.91	4.80	-97.02
O=C([O-])CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL300001825849	1	37	-2.0	-101.83	325.97	4.82	-97.01
O=C([O-])CC(NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=CC=C(F)C=C1	REAL300001825881	0	34	-2.0	-90.60	316.77	6.47	-84.13
CCOC1=CC(C(=O)NC(CC(=O)[O-])C2=CC=C(F)C=C2)=CC(Cl)=C1[O-]	REAL300001825884	1	41	-2.0	-94.81	367.82	7.51	-87.30
COC1=CC=C(N2C=C([O-])C(C(=O)NC(CC(=O)[O-])C3=CC=C(F)C=C3)=N2)C=C1	REAL300001825890	0	45	-2.0	-122.67	398.04	7.17	-115.50
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CC(=O)[O-])C2=CC=C(F)C=C2)=CO1	REAL300001825906	1	38	-2.0	-97.17	359.68	2.54	-94.63
O=C([O-])CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=C(F)C=C1	REAL300001826047	0	37	-2.0	-88.05	343.52	5.30	-82.75
O=C([O-])CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=C(F)C=C1	REAL300001826047	1	37	-2.0	-88.00	343.59	5.30	-82.70
O=C([O-])CC(NC(=O)C1=C[N-]N=CC1=O)C1=CC=C(F)C=C1	REAL300001826279	0	32	-2.0	-97.81	295.15	5.24	-92.57
COCC1=NC=C(C(=O)NC(CC(=O)[O-])C2=CC=C(F)C=C2)C(=O)[N-]1	REAL300001826302	1	39	-2.0	-110.06	339.60	4.17	-105.89
O=C([O-])CC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=CC=C(F)C=C1	REAL300001826586	0	34	-2.0	-104.91	331.43	8.55	-96.36
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC(C(=O)[O-])=CC=C2OC(C)C)O1	REAL300001828030	1	42	-2.0	-97.80	377.05	1.81	-95.99
COC1=CC=C(C(=O)NC2=CC(C(=O)[O-])=CC=C2OC(C)C)C([O-])=C1	REAL300001828979	1	42	-2.0	-135.00	353.34	6.87	-128.13
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C([O-])C(F)=C1	REAL300001829418	1	38	-2.0	-103.78	331.77	6.08	-97.70
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300001829430	1	41	-2.0	-124.26	360.75	8.47	-115.79
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC(=O)CCC1=N[N-]N=N1	REAL300001829471	0	38	-2.0	-102.40	327.86	4.09	-98.31
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC(=O)CCC1=NN=N[N-]1	REAL300001829471	1	38	-2.0	-102.40	327.92	4.11	-98.29
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300001829533	0	44	-2.0	-106.41	387.54	4.24	-102.17
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300001829555	1	43	-2.0	-108.93	362.64	5.64	-103.29
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CN=CC([O-])=C1	REAL300001829587	1	37	-2.0	-110.59	321.13	4.26	-106.33
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300001829669	0	45	-2.0	-133.89	393.26	7.41	-126.48
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300001829700	0	43	-2.0	-137.03	366.41	8.19	-128.84
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300001829937	0	38	-2.0	-102.65	348.30	6.71	-95.94
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC(=O)CCCC1=N[N-]N=N1	REAL300001830025	0	41	-2.0	-114.99	350.18	4.95	-110.04
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC(=O)CCCC1=NN=N[N-]1	REAL300001830025	1	41	-2.0	-115.00	350.24	4.97	-110.03
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300001830055	0	38	-2.0	-102.07	341.03	6.60	-95.47
CCOC1=CC(C(=O)NC2=CC(C(=O)[O-])=CC=C2OC(C)C)=CC(Cl)=C1[O-]	REAL300001830059	1	45	-2.0	-106.00	392.09	7.64	-98.36
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC(C(=O)[O-])=CC=C2OC(C)C)=CO1	REAL300001830080	1	42	-2.0	-111.15	377.02	1.85	-109.30
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300001830214	0	41	-2.0	-94.67	360.03	4.70	-89.97
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300001830214	1	41	-2.0	-94.74	359.97	4.69	-90.05
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=C[N-]N=CC1=O	REAL300001830433	0	36	-2.0	-100.36	313.37	4.68	-95.68
COCC1=NC=C(C(=O)NC2=CC(C(=O)[O-])=CC=C2OC(C)C)C(=O)[N-]1	REAL300001830456	1	43	-2.0	-107.99	364.85	3.19	-104.80
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300001830498	1	46	-2.0	-108.29	378.50	6.11	-102.18
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300001830725	0	38	-2.0	-119.57	356.17	8.56	-111.01
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300001832037	1	46	-2.0	-124.60	405.09	12.85	-111.75
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)O1	REAL300001832390	1	47	-2.0	-113.18	403.50	6.35	-106.83
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)O1	REAL300001832391	1	38	-2.0	-111.33	349.89	3.81	-107.52
CC(C)C(=O)[N-]C1=NC(CC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)=CS1	REAL300001832875	1	45	-2.0	-101.75	395.42	8.20	-93.55
CC1=C(CC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001833069	1	47	-2.0	-110.27	406.27	8.38	-101.89
O=C([O-])CN(CC1=CC=CC=C1)C(=O)C1=CC=C([O-])C(F)=C1	REAL300001833965	1	34	-2.0	-103.77	300.45	7.52	-96.25
O=C([O-])CN(CC1=CC=CC=C1)C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300001833974	1	37	-2.0	-105.63	332.58	9.74	-95.89
CS(=O)(=O)[N-]C1=CC=C(C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C=N1	REAL300001834059	0	40	-2.0	-113.88	359.13	5.64	-108.24
O=C([O-])CN(CC1=CC=CC=C1)C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300001834084	1	39	-2.0	-125.88	346.24	7.04	-118.84
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N(CC(=O)[O-])CC3=CC=CC=C3)=N2)=C1	REAL300001834134	0	50	-2.0	-136.40	418.23	11.41	-124.99
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N(CC(=O)[O-])CC3=CC=CC=C3)=N2)C=C1	REAL300001834135	0	50	-2.0	-132.78	418.16	11.41	-121.37
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)=N1	REAL300001834200	0	44	-2.0	-128.59	383.57	10.13	-118.46
O=C([O-])CN(CC1=CC=CC=C1)C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300001834205	0	41	-2.0	-127.13	364.38	9.56	-117.57
O=C([O-])CN(CC1=CC=CC=C1)C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300001834232	1	39	-2.0	-130.07	336.63	10.89	-119.18
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N(CC(=O)[O-])CC3=CC=CC=C3)=N2)=C1	REAL300001834368	0	44	-2.0	-135.43	379.71	10.15	-125.28
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)=N1	REAL300001834369	0	47	-2.0	-131.23	393.79	11.12	-120.11
CC1=C(CC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001834426	1	47	-2.0	-108.20	405.54	8.33	-99.87
O=C([O-])CN(CC1=CC=CC=C1)C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300001834479	0	34	-2.0	-96.39	309.78	7.71	-88.68
COC1=C(C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)NC(=O)[N-]C1=O	REAL300001834489	1	37	-2.0	-102.26	334.11	2.19	-100.07
O=C([O-])CN(CC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL300001834563	0	37	-2.0	-96.11	325.99	6.86	-89.25
O=C([O-])CN(CC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL300001834563	1	37	-2.0	-96.12	326.04	6.88	-89.24
O=C([O-])CN(CC1=CC=CC=C1)C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300001834592	0	34	-2.0	-99.55	310.25	8.00	-91.55
CCOC1=CC(C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)=CC(Cl)=C1[O-]	REAL300001834595	1	41	-2.0	-105.47	364.86	9.15	-96.32
COC1=CC=C(N2C=C([O-])C(C(=O)N(CC(=O)[O-])CC3=CC=CC=C3)=N2)C=C1	REAL300001834601	0	45	-2.0	-132.00	387.44	8.79	-123.21
C[N-]S(=O)(=O)C1=CC(C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)=CO1	REAL300001834616	1	38	-2.0	-106.57	340.95	3.19	-103.38
O=C([O-])CN(CC1=CC=CC=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300001834752	0	37	-2.0	-96.60	332.00	7.41	-89.19
O=C([O-])CN(CC1=CC=CC=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300001834752	1	37	-2.0	-96.59	332.07	7.41	-89.18
COCC1=NC=C(C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C(=O)[N-]1	REAL300001835007	1	39	-2.0	-112.90	334.70	3.54	-109.36
O=C([O-])CN(CC1=CC=CC=C1)C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300001835049	1	42	-2.0	-126.36	361.98	7.60	-118.76
O=C([O-])CN(CC1=CC=CC=C1)C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300001835290	0	34	-2.0	-103.44	324.33	9.81	-93.63
COC1=CC(CN(CC(=O)[O-])C(=O)C2=CC=C([O-])C(F)=C2)=CC(OC)=C1	REAL300001837188	1	42	-2.0	-108.57	363.01	6.24	-102.33
COC1=CC(CN(CC(=O)[O-])C(=O)CCC2=N[N-]N=N2)=CC(OC)=C1	REAL300001837239	0	42	-2.0	-100.98	363.43	4.69	-96.29
COC1=CC(CN(CC(=O)[O-])C(=O)CCC2=NN=N[N-]2)=CC(OC)=C1	REAL300001837239	1	42	-2.0	-101.01	363.49	4.70	-96.31
COC1=CC(CN(CC(=O)[O-])C(=O)C2=CN=C(C3CC3)[N-]C2=O)=CC(OC)=C1	REAL300001837299	1	47	-2.0	-129.31	405.23	5.65	-123.66
COC1=CC(OC)=CC(CN(CC(=O)[O-])C(=O)C2=CN=CC([O-])=C2)=C1	REAL300001837312	1	41	-2.0	-103.50	351.70	4.26	-99.24
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C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)O1	REAL300001841832	1	39	-2.0	-101.50	351.98	2.83	-98.67
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)=CS1	REAL300001842288	1	46	-2.0	-127.02	393.72	7.20	-119.82
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CCOC1=CC(C(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)=CC(Cl)=C1[O-]	REAL300001844012	1	42	-2.0	-110.40	366.19	8.59	-101.81
COC1=CC=C(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CC4=CC=CC=C4C3)=N2)C=C1	REAL300001844018	0	46	-2.0	-142.87	388.01	7.52	-135.35
C[N-]S(=O)(=O)C1=CC(C(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)=CO1	REAL300001844034	1	39	-2.0	-110.83	349.73	2.74	-108.09
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COCC1=NC=C(C(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C(=O)[N-]1	REAL300001844429	1	40	-2.0	-116.57	340.29	4.14	-112.43
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CC1=C(CCC(=O)N(CC(=O)[O-])C(C)C)C(=O)[N-]C(N2CCOCC2)=N1	REAL300001845388	1	50	-2.0	-104.49	391.97	7.19	-97.30
CC(C)N(CC(=O)[O-])C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1	REAL300001845806	1	44	-2.0	-111.34	373.68	6.64	-104.70
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300001845864	1	42	-2.0	-111.61	356.23	10.09	-101.52
CC(C)N(CC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300001845909	1	44	-2.0	-99.92	371.83	6.65	-93.27
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300001845911	1	47	-2.0	-101.34	385.44	7.35	-93.99
CC(C)N(CC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300001846000	1	44	-2.0	-106.70	365.43	6.58	-100.12
CC(C)N(CC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300001846001	1	44	-2.0	-103.83	371.06	6.78	-97.05
CC1=CC(C(=O)N(CC(=O)[O-])C(C)C)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300001846011	0	40	-2.0	-90.66	351.60	4.98	-85.68
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N(CC(=O)[O-])C(C)C)C=C2)C=C1	REAL300001846111	1	47	-2.0	-102.03	386.94	7.27	-94.76
CC(C)N(CC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300001846178	0	41	-2.0	-112.47	357.44	5.59	-106.88
CC(C)N(CC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300001846195	1	43	-2.0	-112.85	357.75	3.61	-109.24
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(CC(=O)[O-])C(C)C)O1	REAL300001846196	1	34	-2.0	-110.43	302.98	1.17	-109.26
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N(CC(=O)[O-])C(C)C)=C2)C=C1	REAL300001846290	1	47	-2.0	-118.46	388.66	7.26	-111.20
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)N(CC(=O)[O-])C(C)C)=C2)=C1	REAL300001846317	1	47	-2.0	-120.48	392.46	7.45	-113.03
CC(C)N(CC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300001846405	0	41	-2.0	-112.23	359.22	5.60	-106.63
CC(C)N(CC(=O)[O-])C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300001846406	0	44	-2.0	-117.72	389.73	6.88	-110.84
CC(C)C(=O)[N-]C1=NC(CC(=O)N(CC(=O)[O-])C(C)C)=CS1	REAL300001846628	1	41	-2.0	-115.04	346.92	5.44	-109.60
CC1=C(CC(=O)N(CC(=O)[O-])C(C)C)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001846774	1	43	-2.0	-126.78	357.78	5.64	-121.14
CC(C)N(CC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300001846903	1	44	-2.0	-101.26	365.53	6.59	-94.67
CC(C)N(CC(=O)[O-])C(=O)C1=CC(Br)=C([O-])C(Br)=C1	REAL300001847288	0	30	-2.0	-91.74	290.03	6.10	-85.64
CC(C)N(CC(=O)[O-])C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300001847325	1	33	-2.0	-102.77	281.68	7.04	-95.73
CC(C)N(CC(=O)[O-])C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300001847381	0	36	-2.0	-102.41	305.96	2.46	-99.95
CC(C)N(CC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300001847422	1	43	-2.0	-97.11	360.57	4.80	-92.31
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N(CC(=O)[O-])C(C)C)=N2)=C1	REAL300001847436	0	46	-2.0	-133.98	371.20	8.75	-125.23
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N(CC(=O)[O-])C(C)C)=N2)C=C1	REAL300001847437	0	46	-2.0	-130.29	371.14	8.75	-121.54
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(CC(=O)[O-])C(C)C)=N1	REAL300001847473	0	40	-2.0	-130.62	342.01	7.16	-123.46
CC(C)N(CC(=O)[O-])C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300001847476	0	37	-2.0	-124.59	317.35	6.90	-117.69
CC(C)N(CC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300001847497	0	37	-2.0	-98.32	328.82	4.03	-94.29
CC(C)N(CC(=O)[O-])C(=O)C1=CN=C(I)C([O-])=C1	REAL300001847523	0	29	-2.0	-103.96	266.36	3.46	-100.50
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N(CC(=O)[O-])C(C)C)=N2)=C1	REAL300001847547	0	40	-2.0	-134.38	335.69	7.49	-126.89
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(CC(=O)[O-])C(C)C)=N1	REAL300001847548	0	43	-2.0	-126.34	356.73	7.81	-118.53
CC1=C(CC(=O)N(CC(=O)[O-])C(C)C)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001847562	1	43	-2.0	-125.45	357.06	5.59	-119.86
CCOC1=CC(C(=O)N(CC(=O)[O-])C(C)C)=CC(Cl)=C1[O-]	REAL300001847615	1	37	-2.0	-103.43	310.64	6.15	-97.28
CC(C)N(CC(=O)[O-])C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300001847618	0	40	-2.0	-135.23	324.87	7.51	-127.72
COC1=CC=C(N2C=C([O-])C(C(=O)N(CC(=O)[O-])C(C)C)=N2)C=C1	REAL300001847621	0	41	-2.0	-129.50	340.42	6.13	-123.37
C[N-]S(=O)(=O)C1=CC(C(=O)N(CC(=O)[O-])C(C)C)=CO1	REAL300001847630	1	34	-2.0	-94.55	298.91	0.93	-93.62
CC(C)N(CC(=O)[O-])C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300001847979	0	30	-2.0	-114.81	273.27	7.02	-107.79
O=C([O-])C([N-]C(=O)C(F)(F)C1=CC=CC=C1)C1=CC(F)=CC=C1F	REAL300001849178	1	33	-2.0	-139.55	315.60	7.25	-132.30
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)O1	REAL300001849221	1	35	-2.0	-100.26	343.26	1.53	-98.73
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=CS1	REAL300001849631	1	42	-2.0	-119.70	385.26	5.88	-113.82
CCOC1=CC=CC=C1C(F)(F)C(=O)[N-]C(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300001849768	1	40	-2.0	-141.59	361.57	8.15	-133.44
CC(C)OC1=CC=CC=C1C(F)(F)C(=O)[N-]C(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300001850083	1	43	-2.0	-148.97	382.63	8.14	-140.83
COC1=CC=CC=C1C(F)(F)C(=O)[N-]C(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300001850120	1	37	-2.0	-146.45	342.90	6.59	-139.86
O=C([O-])C(NC(=O)C1=CC=C([O-])C(F)=C1)C1=CC(F)=CC=C1F	REAL300001850665	1	31	-2.0	-103.78	296.57	5.77	-98.01
O=C([O-])C(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1=CC(F)=CC=C1F	REAL300001850676	1	34	-2.0	-122.69	326.89	8.30	-114.39
O=C([O-])C(NC(=O)CCC1=N[N-]N=N1)C1=CC(F)=CC=C1F	REAL300001850712	0	31	-2.0	-100.26	294.30	3.76	-96.50
O=C([O-])C(NC(=O)CCC1=NN=N[N-]1)C1=CC(F)=CC=C1F	REAL300001850712	1	31	-2.0	-100.25	294.36	3.78	-96.47
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=N1	REAL300001850776	0	37	-2.0	-108.15	352.10	3.81	-104.34
O=C([O-])C(NC(=O)C1=CN=CC([O-])=C1)C1=CC(F)=CC=C1F	REAL300001850835	1	30	-2.0	-107.41	285.71	3.82	-103.59
O=C([O-])C(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1=CC(F)=CC=C1F	REAL300001850919	0	38	-2.0	-133.91	357.80	6.98	-126.93
O=C([O-])C(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=CC(F)=CC=C1F	REAL300001850951	1	36	-2.0	-139.99	330.95	7.86	-132.13
O=C([O-])C(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=CC(F)=CC=C1F	REAL300001851185	0	31	-2.0	-100.26	312.63	6.33	-93.93
COC1=C(C(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)NC(=O)[N-]C1=O	REAL300001851197	1	34	-2.0	-101.74	319.13	1.29	-100.45
O=C([O-])C(NC(=O)CCCC1=N[N-]N=N1)C1=CC(F)=CC=C1F	REAL300001851276	0	34	-2.0	-108.41	315.80	4.55	-103.86
O=C([O-])C(NC(=O)CCCC1=NN=N[N-]1)C1=CC(F)=CC=C1F	REAL300001851276	1	34	-2.0	-108.42	315.86	4.56	-103.86
O=C([O-])C(NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=CC(F)=CC=C1F	REAL300001851308	0	31	-2.0	-102.14	306.60	6.20	-95.94
CCOC1=CC(C(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=CC(Cl)=C1[O-]	REAL300001851311	1	38	-2.0	-106.15	357.71	7.24	-98.91
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=CO1	REAL300001851333	1	35	-2.0	-106.18	342.57	1.43	-104.75
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC(F)=CC=C1F	REAL300001851471	0	34	-2.0	-95.00	326.34	4.35	-90.65
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC(F)=CC=C1F	REAL300001851471	1	34	-2.0	-94.98	326.42	4.35	-90.63
O=C([O-])C(NC(=O)C1=C[N-]N=CC1=O)C1=CC(F)=CC=C1F	REAL300001851696	0	29	-2.0	-106.76	277.92	4.25	-102.51
COCC1=NC=C(C(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C(=O)[N-]1	REAL300001851719	1	36	-2.0	-115.97	331.39	2.92	-113.05
O=C([O-])C([N-]C(=O)C(F)(F)C1=CC=CN=C1)C1=CC(F)=CC=C1F	REAL300001851809	1	32	-2.0	-133.40	310.58	5.46	-127.94
O=C([O-])C(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=CC(F)=CC=C1F	REAL300001851996	0	31	-2.0	-118.82	320.96	8.33	-110.49
O=C([O-])C([N-]C(=O)C(F)(F)CCN1C=CN=N1)C1=CC(F)=CC=C1F	REAL300001852078	1	35	-2.0	-137.02	331.33	5.35	-131.67
CC1=CC(F)=CC=C1C(F)(F)C(=O)[N-]C(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300001852079	0	36	-2.0	-129.42	333.04	7.61	-121.81
O=C([O-])C([N-]C(=O)C(F)(F)CCN1C=CC=N1)C1=CC(F)=CC=C1F	REAL300001852080	1	36	-2.0	-137.95	340.14	6.05	-131.90
CC1=CC(C(F)(F)C(=O)[N-]C(C(=O)[O-])C2=CC(F)=CC=C2F)=CS1	REAL300001852378	1	33	-2.0	-136.99	328.44	7.03	-129.96
CN1C=C(C(F)(F)C(=O)[N-]C(C(=O)[O-])C2=CC(F)=CC=C2F)C=N1	REAL300001852379	1	33	-2.0	-131.88	317.46	5.58	-126.30
CC1=CC=C(F)C=C1C(F)(F)C(=O)[N-]C(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300001852397	0	36	-2.0	-135.98	335.97	7.66	-128.32
CCC(C)(NC(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O)C(=O)[O-]	REAL300001852658	1	50	-2.0	-108.28	387.42	5.97	-102.31
CCC(C)(NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1)C(=O)[O-]	REAL300001853076	1	44	-2.0	-113.00	375.34	6.07	-106.93
CCC(C)(NC(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1)C(=O)[O-]	REAL300001853134	1	42	-2.0	-131.67	351.62	8.96	-122.71
CCC(C)(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300001853179	1	44	-2.0	-101.89	375.13	6.09	-95.80
CCC(C)(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C)C=C1)C(=O)[O-]	REAL300001853181	1	47	-2.0	-102.32	388.79	6.79	-95.53
CCC(C)(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300001853270	1	44	-2.0	-108.43	368.73	6.02	-102.41
CCC(C)(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300001853271	1	44	-2.0	-116.23	368.90	6.02	-110.21
CCC(C)(NC(=O)C1=CC=C([N-]S(=O)(=O)C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300001853281	0	40	-2.0	-92.86	350.15	4.20	-88.66
CCC(C)(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2)C=C1)C(=O)[O-]	REAL300001853381	1	47	-2.0	-103.19	390.29	6.70	-96.49
CCC(C)(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300001853448	0	41	-2.0	-111.98	360.65	5.03	-106.95
CCC(C)(NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300001853465	1	43	-2.0	-97.31	356.06	2.26	-95.05
CCC(C)(NC(=O)C1=CC=C(S(=O)(=O)[N-]C)O1)C(=O)[O-]	REAL300001853466	1	34	-2.0	-95.78	300.62	-0.15	-95.93
CCC(C)(NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2)=C1)C(=O)[O-]	REAL300001853560	1	47	-2.0	-120.30	390.32	6.68	-113.62
CCC(C)(NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2)=C1)C(=O)[O-]	REAL300001853587	1	47	-2.0	-120.75	390.31	6.69	-114.06
CCC(C)(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C(=O)[O-]	REAL300001853675	0	41	-2.0	-114.48	360.84	5.04	-109.44
CCC(C)(NC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300001853676	0	44	-2.0	-117.66	385.50	5.69	-111.97
CCC(C)(NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1)C(=O)[O-]	REAL300001853898	1	41	-2.0	-114.42	342.37	4.21	-110.21
CCC(C)(NC(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O)C(=O)[O-]	REAL300001854044	1	43	-2.0	-118.69	353.23	4.41	-114.28
CCC(C)(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300001854173	1	44	-2.0	-102.43	368.89	6.02	-96.41
CCC(C)(NC(=O)C1=CC(Br)=C([O-])C(Br)=C1)C(=O)[O-]	REAL300001854558	0	30	-2.0	-96.62	288.56	5.34	-91.28
CCC(C)(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300001854595	1	33	-2.0	-123.09	284.32	6.15	-116.94
CCC(C)(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300001854651	0	36	-2.0	-104.85	309.22	2.18	-102.67
CCC(C)(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300001854692	1	43	-2.0	-98.49	363.93	4.25	-94.24
CCC(C)(NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-])C(=O)[O-]	REAL300001854706	0	46	-2.0	-136.89	368.82	7.24	-129.65
CCC(C)(NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])C(=O)[O-]	REAL300001854707	0	46	-2.0	-135.67	368.75	7.24	-128.43
CCC(C)(NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-])C(=O)[O-]	REAL300001854743	0	40	-2.0	-132.16	336.29	6.34	-125.82
CCC(C)(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300001854746	0	37	-2.0	-133.26	314.97	5.39	-127.87
CCC(C)(NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300001854767	0	37	-2.0	-99.88	330.45	3.45	-96.43
CCC(C)(NC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300001854793	0	29	-2.0	-103.41	269.69	3.18	-100.23
CCC(C)(NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-])C(=O)[O-]	REAL300001854817	0	40	-2.0	-140.52	333.31	5.97	-134.55
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(C)(CC)C(=O)[O-])=N1	REAL300001854818	0	43	-2.0	-138.94	349.82	7.05	-131.89
CCC(C)(NC(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O)C(=O)[O-]	REAL300001854832	1	43	-2.0	-116.38	352.50	4.37	-112.01
CCOC1=CC(C(=O)NC(C)(CC)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300001854885	1	37	-2.0	-104.14	314.83	5.61	-98.53
CCC(C)(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300001854888	0	40	-2.0	-140.02	338.45	6.76	-133.26
CCC(C)(NC(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-])C(=O)[O-]	REAL300001854891	0	41	-2.0	-135.29	338.04	4.62	-130.67
CCC(C)(NC(=O)C1=COC(S(=O)(=O)[N-]C)=C1)C(=O)[O-]	REAL300001854900	1	34	-2.0	-106.72	299.75	-0.17	-106.89
CCC(C)(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300001855249	0	30	-2.0	-118.33	278.37	6.19	-112.14
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300001856312	1	46	-2.0	-134.49	391.44	11.41	-123.08
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)O1	REAL300001856665	1	47	-2.0	-102.46	395.21	4.77	-97.69
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)O1	REAL300001856666	1	38	-2.0	-101.41	340.43	2.32	-99.09
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=CS1	REAL300001857150	1	45	-2.0	-118.80	382.21	6.68	-112.12
CC1=C(CC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001857344	1	47	-2.0	-124.08	393.04	6.90	-117.18
CC(NC(=O)C1=CC=C([O-])C(F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300001858240	1	34	-2.0	-106.00	293.80	6.54	-99.46
CC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])(C(=O)[O-])C1=CC=CC=C1	REAL300001858249	1	37	-2.0	-127.90	324.15	8.65	-119.25
CC(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300001858334	0	40	-2.0	-109.54	349.05	4.65	-104.89
CC(NC(=O)C1=CN=C(C2CC2)[N-]C1=O)(C(=O)[O-])C1=CC=CC=C1	REAL300001858359	1	39	-2.0	-118.34	327.23	6.06	-112.28
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC(C)(C(=O)[O-])C3=CC=CC=C3)=N2)=C1	REAL300001858409	0	50	-2.0	-143.34	408.64	9.73	-133.61
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(C)(C(=O)[O-])C3=CC=CC=C3)=N2)C=C1	REAL300001858410	0	50	-2.0	-141.88	408.58	9.72	-132.16
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300001858475	0	44	-2.0	-138.02	376.13	8.84	-129.18
CC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])(C(=O)[O-])C1=CC=CC=C1	REAL300001858480	0	41	-2.0	-139.17	354.79	7.87	-131.30
CC(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300001858507	1	39	-2.0	-144.13	327.95	8.26	-135.87
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(C)(C(=O)[O-])C3=CC=CC=C3)=N2)=C1	REAL300001858643	0	44	-2.0	-146.84	373.13	8.46	-138.38
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300001858644	0	47	-2.0	-145.45	389.55	9.55	-135.90
CC1=C(CC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001858701	1	47	-2.0	-121.80	392.32	6.84	-114.96
CC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300001858754	0	34	-2.0	-102.92	309.80	7.09	-95.83
COC1=C(C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)NC(=O)[N-]C1=O	REAL300001858764	1	37	-2.0	-104.81	315.88	1.75	-103.06
CC(NC(=O)CCCC1=N[N-]N=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300001858838	0	37	-2.0	-111.52	312.76	5.37	-106.15
CC(NC(=O)CCCC1=NN=N[N-]1)(C(=O)[O-])C1=CC=CC=C1	REAL300001858838	1	37	-2.0	-111.52	312.82	5.39	-106.13
CC(NC(=O)C1=CC=C([O-])C(Cl)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300001858867	0	34	-2.0	-104.10	303.60	7.03	-97.07
CCOC1=CC(C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=CC(Cl)=C1[O-]	REAL300001858870	1	41	-2.0	-108.65	354.66	8.07	-100.58
COC1=CC=C(N2C=C([O-])C(C(=O)NC(C)(C(=O)[O-])C3=CC=CC=C3)=N2)C=C1	REAL300001858876	0	45	-2.0	-141.33	377.86	7.11	-134.22
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=CO1	REAL300001858891	1	38	-2.0	-109.65	339.57	2.32	-107.33
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300001859027	0	37	-2.0	-95.70	323.35	5.18	-90.52
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300001859027	1	37	-2.0	-95.69	323.42	5.19	-90.50
COCC1=NC=C(C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C(=O)[N-]1	REAL300001859282	1	39	-2.0	-117.39	328.63	3.75	-113.64
CC(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)(C(=O)[O-])C1=CC=CC=C1	REAL300001859324	1	42	-2.0	-118.64	342.98	6.61	-112.03
CC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])(C(=O)[O-])C1=CC=CC=C1	REAL300001859565	0	34	-2.0	-123.30	318.19	8.68	-114.62
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CCC(=O)[O-])C2=CC=CC=C2)O1	REAL300001861161	1	41	-2.0	-97.44	367.22	2.54	-94.90
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(CCC(=O)[O-])C2=CC=CC=C2)=CS1	REAL300001861613	1	48	-2.0	-119.67	409.01	6.94	-112.73
O=C([O-])CCC(NC(=O)C1=CC=C([O-])C(F)=C1)C1=CC=CC=C1	REAL300001862695	1	37	-2.0	-104.33	320.59	6.78	-97.55
O=C([O-])CCC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1=CC=CC=C1	REAL300001862706	1	40	-2.0	-118.54	350.92	9.20	-109.34
O=C([O-])CCC(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC=C1	REAL300001862740	0	37	-2.0	-99.11	318.05	4.83	-94.28
O=C([O-])CCC(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1	REAL300001862740	1	37	-2.0	-99.08	318.11	4.84	-94.24
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(CCC(=O)[O-])C2=CC=CC=C2)C=N1	REAL300001862811	0	43	-2.0	-104.04	375.82	4.88	-99.16
O=C([O-])CCC(NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C1=CC=CC=C1	REAL300001862836	1	42	-2.0	-107.01	354.10	6.26	-100.75
O=C([O-])CCC(NC(=O)C1=CN=CC([O-])=C1)C1=CC=CC=C1	REAL300001862873	1	36	-2.0	-106.91	309.43	4.88	-102.03
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CC(C)C(=O)[N-]C1=NC(CC(=O)N(C(C)C(=O)[O-])C2CC2)=CS1	REAL300001866172	1	42	-2.0	-95.49	355.39	5.86	-89.63
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CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N(C(C)C(=O)[O-])C3CC3)=N2)C=C1	REAL300001867131	0	47	-2.0	-122.30	378.59	9.08	-113.22
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CC(C(=O)[O-])N(C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1CC1	REAL300001867182	0	38	-2.0	-117.45	324.79	7.23	-110.22
CC(C(=O)[O-])N(C(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1CC1	REAL300001867197	1	36	-2.0	-125.45	297.75	8.78	-116.67
CC(C(=O)[O-])N(C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C1CC1	REAL300001867213	0	38	-2.0	-93.19	344.37	4.80	-88.39
CC(C(=O)[O-])N(C(=O)C1=CN=C(I)C([O-])=C1)C1CC1	REAL300001867243	0	30	-2.0	-88.28	280.77	4.19	-84.09
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CC1=C(CC(=O)N(C(C)C(=O)[O-])C2CC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001867301	1	44	-2.0	-100.86	365.34	5.92	-94.94
CC(C(=O)[O-])N(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1CC1	REAL300001867326	0	31	-2.0	-90.11	280.99	5.69	-84.42
CCOC1=CC(C(=O)N(C(C)C(=O)[O-])C2CC2)=CC(Cl)=C1[O-]	REAL300001867384	1	38	-2.0	-100.16	328.84	6.96	-93.20
CC(C(=O)[O-])N(C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C1CC1	REAL300001867387	0	41	-2.0	-133.20	353.24	7.84	-125.36
COC1=CC=C(N2C=C([O-])C(C(=O)N(C(C)C(=O)[O-])C3CC3)=N2)C=C1	REAL300001867391	0	42	-2.0	-122.33	347.97	6.46	-115.87
C[N-]S(=O)(=O)C1=CC(C(=O)N(C(C)C(=O)[O-])C2CC2)=CO1	REAL300001867401	1	35	-2.0	-89.13	308.42	1.21	-87.92
CC(C(=O)[O-])N(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL300001867495	0	34	-2.0	-87.68	294.46	4.73	-82.95
CC(C(=O)[O-])N(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL300001867495	1	34	-2.0	-87.59	294.51	4.73	-82.86
CC(C(=O)[O-])N(C(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1CC1	REAL300001867694	1	39	-2.0	-116.86	315.24	5.26	-111.60
CC(C(=O)[O-])N(C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CC1	REAL300001867847	0	31	-2.0	-95.96	290.32	7.21	-88.75
CC1=C(CCC(=O)NC(C)(C)CCC(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300001868379	1	53	-2.0	-96.81	410.84	6.04	-90.77
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300001868908	1	45	-2.0	-102.08	375.04	8.99	-93.09
CC(C)(CCC(=O)[O-])NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300001869054	1	47	-2.0	-96.21	392.15	6.08	-90.13
CC(C)(CCC(=O)[O-])NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300001869055	1	47	-2.0	-98.10	392.32	6.07	-92.03
CC1=CC(C(=O)NC(C)(C)CCC(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300001869066	0	43	-2.0	-81.16	373.57	4.26	-76.90
CC(C)(CCC(=O)[O-])NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300001869249	0	44	-2.0	-94.85	384.07	5.08	-89.77
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C)(C)CCC(=O)[O-])O1	REAL300001869267	1	46	-2.0	-90.25	377.64	2.41	-87.84
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C)(C)CCC(=O)[O-])O1	REAL300001869268	1	37	-2.0	-89.93	324.03	-0.12	-90.05
CC(C)(CCC(=O)[O-])NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300001869493	0	44	-2.0	-96.44	384.26	5.07	-91.37
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(C)(C)CCC(=O)[O-])=CS1	REAL300001869745	1	44	-2.0	-95.67	365.81	4.28	-91.39
CC1=C(CC(=O)NC(C)(C)CCC(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001869921	1	46	-2.0	-101.77	376.64	4.47	-97.30
CC(C)(CCC(=O)[O-])NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300001870051	1	47	-2.0	-91.81	392.31	6.07	-85.74
CC(C)(CCC(=O)[O-])NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300001870585	1	36	-2.0	-95.60	307.74	6.50	-89.10
CC(C)(CCC(=O)[O-])NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300001870653	0	39	-2.0	-93.50	332.64	2.23	-91.27
CC(C)(CCC(=O)[O-])NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300001870699	1	46	-2.0	-88.13	387.35	4.29	-83.84
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC(C)(C)CCC(=O)[O-])=N2)=C1	REAL300001870713	0	49	-2.0	-109.64	392.24	7.25	-102.39
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(C)(C)CCC(=O)[O-])=N2)C=C1	REAL300001870714	0	49	-2.0	-108.10	392.17	7.25	-100.85
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(C)(C)CCC(=O)[O-])=N1	REAL300001870760	0	43	-2.0	-104.98	359.70	6.35	-98.63
CC(C)(CCC(=O)[O-])NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300001870764	0	40	-2.0	-105.82	338.38	5.40	-100.42
CC(C)(CCC(=O)[O-])NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300001870780	1	38	-2.0	-106.94	311.54	6.12	-100.82
CC(C)(CCC(=O)[O-])NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300001870796	0	40	-2.0	-82.70	353.86	3.49	-79.21
CC(C)(CCC(=O)[O-])NC(=O)C1=CN=C(I)C([O-])=C1	REAL300001870828	0	32	-2.0	-86.43	293.10	3.22	-83.21
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(C)(C)CCC(=O)[O-])=N2)=C1	REAL300001870861	0	43	-2.0	-112.25	356.72	5.98	-106.27
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(C)(C)CCC(=O)[O-])=N1	REAL300001870862	0	46	-2.0	-110.54	373.24	7.07	-103.47
CC1=C(CC(=O)NC(C)(C)CCC(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001870890	1	46	-2.0	-100.38	375.92	4.43	-95.95
CC(C)(CCC(=O)[O-])NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300001870917	0	33	-2.0	-87.01	293.41	4.67	-82.34
CCOC1=CC(C(=O)NC(C)(C)CCC(=O)[O-])=CC(Cl)=C1[O-]	REAL300001870977	1	40	-2.0	-91.27	338.25	5.65	-85.62
CC(C)(CCC(=O)[O-])NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300001870980	0	43	-2.0	-113.29	361.87	6.77	-106.52
COC1=CC=C(N2C=C([O-])C(C(=O)NC(C)(C)CCC(=O)[O-])=N2)C=C1	REAL300001870984	0	44	-2.0	-108.13	361.45	4.63	-103.50
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C)(C)CCC(=O)[O-])=CO1	REAL300001870994	1	37	-2.0	-90.93	323.17	-0.13	-91.06
CC(C)(CCC(=O)[O-])NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300001871089	0	36	-2.0	-83.54	306.94	2.75	-80.79
CC(C)(CCC(=O)[O-])NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300001871089	1	36	-2.0	-83.47	307.01	2.76	-80.71
CC(C)(CCC(=O)[O-])NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300001871292	1	41	-2.0	-95.26	326.22	4.16	-91.10
CC(C)(CCC(=O)[O-])NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300001871455	0	33	-2.0	-92.35	301.80	6.54	-85.81
CCCN(CC(=O)[O-])C(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O	REAL300001871953	1	50	-2.0	-117.26	402.95	7.68	-109.58
CCCN(CC(=O)[O-])C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1	REAL300001872371	1	44	-2.0	-91.18	384.54	7.27	-83.91
CCCN(CC(=O)[O-])C(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1	REAL300001872429	1	42	-2.0	-122.11	367.18	10.60	-111.51
CCCN(CC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300001872474	1	44	-2.0	-105.26	385.05	7.35	-97.91
CCCN(CC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C)C=C1	REAL300001872476	1	47	-2.0	-98.19	398.71	8.04	-90.15
CCCN(CC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300001872565	1	44	-2.0	-112.85	378.65	7.28	-105.57
CCCN(CC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300001872566	1	44	-2.0	-104.26	378.09	7.22	-97.04
CCCN(CC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C(F)(F)F)C(C)=C1	REAL300001872576	0	40	-2.0	-87.37	362.17	5.50	-81.87
CCCN(CC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2)C=C1	REAL300001872676	1	47	-2.0	-98.98	400.21	7.95	-91.03
CCCN(CC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300001872743	0	41	-2.0	-102.15	370.59	6.28	-95.87
CCCN(CC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300001872760	1	43	-2.0	-111.71	366.78	4.01	-107.70
CCCN(CC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C)O1	REAL300001872761	1	34	-2.0	-109.38	312.01	1.57	-107.81
CCCN(CC(=O)[O-])C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2)=C1	REAL300001872855	1	47	-2.0	-97.93	399.51	7.89	-90.04
CCCN(CC(=O)[O-])C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2)=C1	REAL300001872882	1	47	-2.0	-98.13	402.32	7.99	-90.14
CCCN(CC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300001872970	0	41	-2.0	-102.29	370.03	6.22	-96.07
CCCN(CC(=O)[O-])C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300001872971	0	44	-2.0	-103.64	401.03	7.40	-96.24
CCCN(CC(=O)[O-])C(=O)CC1=CSC([N-]C(=O)C(C)C)=N1	REAL300001873193	1	41	-2.0	-99.58	357.90	5.94	-93.64
CCCN(CC(=O)[O-])C(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O	REAL300001873339	1	43	-2.0	-107.53	368.77	6.13	-101.40
CCCN(CC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300001873468	1	44	-2.0	-98.15	378.81	7.28	-90.87
CCCN(CC(=O)[O-])C(=O)C1=CC(Br)=C([O-])C(Br)=C1	REAL300001873853	0	30	-2.0	-92.08	297.77	6.53	-85.55
CCCN(CC(=O)[O-])C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300001873890	1	33	-2.0	-102.30	294.39	7.49	-94.81
CCCN(CC(=O)[O-])C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300001873946	0	36	-2.0	-111.70	321.13	3.38	-108.32
CCCN(CC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300001873987	1	43	-2.0	-93.79	373.85	5.50	-88.29
CCCN(CC(=O)[O-])C(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-]	REAL300001874001	0	46	-2.0	-133.18	380.30	9.16	-124.02
CCCN(CC(=O)[O-])C(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-]	REAL300001874002	0	46	-2.0	-129.60	380.24	9.16	-120.44
CCCN(CC(=O)[O-])C(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-]	REAL300001874038	0	40	-2.0	-124.60	345.32	7.92	-116.68
CCCN(CC(=O)[O-])C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300001874041	0	37	-2.0	-123.97	326.45	7.31	-116.66
CCCN(CC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300001874062	0	37	-2.0	-86.66	339.63	4.65	-82.01
CCCN(CC(=O)[O-])C(=O)C1=CN=C(I)C([O-])=C1	REAL300001874088	0	29	-2.0	-94.07	281.58	4.39	-89.68
CCCN(CC(=O)[O-])C(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-]	REAL300001874112	0	40	-2.0	-132.23	343.31	7.90	-124.33
CCCN(CC(=O)[O-])C(=O)C1=NN(C2=CC=CC=C2CC)C=C1[O-]	REAL300001874113	0	43	-2.0	-131.60	358.76	8.88	-122.72
CCCN(CC(=O)[O-])C(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O	REAL300001874127	1	43	-2.0	-105.62	368.03	6.08	-99.54
CCCN(CC(=O)[O-])C(=O)C1=CC(Cl)=C([O-])C(OCC)=C1	REAL300001874180	1	37	-2.0	-103.21	326.86	6.89	-96.32
CCCN(CC(=O)[O-])C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300001874183	0	40	-2.0	-139.97	355.38	8.14	-131.83
CCCN(CC(=O)[O-])C(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-]	REAL300001874186	0	41	-2.0	-128.88	349.52	6.54	-122.34
CCCN(CC(=O)[O-])C(=O)C1=COC(S(=O)(=O)[N-]C)=C1	REAL300001874195	1	34	-2.0	-107.73	303.95	0.98	-106.75
CCCN(CC(=O)[O-])C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300001874544	0	30	-2.0	-100.41	287.12	7.59	-92.82
CCN(CC(=O)[O-])C(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O	REAL300001874919	1	47	-2.0	-104.18	379.83	6.87	-97.31
CCN(CC(=O)[O-])C(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C)=CC=C1C	REAL300001874963	1	47	-2.0	-114.95	401.22	8.07	-106.88
CCN(CC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C)=C2)C=C1	REAL300001874994	1	47	-2.0	-113.91	395.63	7.68	-106.23
CCN(CC(=O)[O-])C(=O)C1=CC(C)=CC=C1[N-]S(C)(=O)=O	REAL300001875191	0	37	-2.0	-103.81	318.48	4.10	-99.71
CCN(CC(=O)[O-])C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1	REAL300001875407	1	41	-2.0	-111.90	364.45	6.56	-105.34
CCN(CC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(F)=C2)=C1	REAL300001875435	1	44	-2.0	-111.49	384.76	7.21	-104.28
CCN(CC(=O)[O-])C(=O)C1=CC=CC=C1[N-]S(=O)(=O)CC	REAL300001875454	0	37	-2.0	-108.78	326.27	4.52	-104.26
CCN(CC(=O)[O-])C(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1	REAL300001875490	1	39	-2.0	-111.21	344.07	9.78	-101.43
CCN(CC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300001875536	1	41	-2.0	-104.87	363.61	6.55	-98.32
CCN(CC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C)C=C1	REAL300001875538	1	44	-2.0	-97.82	377.28	7.24	-90.58
CCN(CC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C)C=C1	REAL300001875542	1	47	-2.0	-99.28	394.28	7.78	-91.50
CCN(CC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300001875649	1	41	-2.0	-112.57	357.21	6.48	-106.09
CCN(CC(=O)[O-])C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300001875650	1	44	-2.0	-110.90	392.38	7.64	-103.26
CCN(CC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300001875651	1	41	-2.0	-114.55	358.02	6.50	-108.05
CCN(CC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C(F)(F)F)C(C)=C1	REAL300001875666	0	37	-2.0	-89.54	339.28	4.69	-84.85
CCN(CC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2)C=C1	REAL300001875774	1	44	-2.0	-98.69	378.77	7.15	-91.54
CCN(CC(=O)[O-])C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2)=C1	REAL300001875850	1	41	-2.0	-112.56	371.63	6.91	-105.65
CCN(CC(=O)[O-])C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC)=C1	REAL300001875851	0	45	-2.0	-122.69	387.26	5.85	-116.84
CCN(CC(=O)[O-])C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC)C=C2)=C1	REAL300001875852	1	45	-2.0	-117.00	387.55	5.79	-111.21
CCN(CC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300001875857	0	38	-2.0	-101.87	349.15	5.48	-96.39
CCN(CC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300001875870	1	40	-2.0	-111.17	344.20	3.33	-107.84
CCN(CC(=O)[O-])C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2)=C1	REAL300001875948	1	44	-2.0	-119.22	379.43	7.18	-112.04
CCN(CC(=O)[O-])C(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C)C=C2)=C1	REAL300001875955	1	47	-2.0	-119.76	394.87	7.96	-111.80
CCN(CC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C)=C2)C=C1	REAL300001875961	1	44	-2.0	-105.42	383.92	7.18	-98.24
CCN(CC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2C)C=C1	REAL300001875962	1	44	-2.0	-96.59	379.10	7.32	-89.27
CCN(CC(=O)[O-])C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C)=C1	REAL300001875965	0	44	-2.0	-109.26	389.78	7.48	-101.78
CCN(CC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC)C=C1	REAL300001875992	0	45	-2.0	-102.27	386.61	5.81	-96.46
CCN(CC(=O)[O-])C(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=CC=C1C	REAL300001875994	1	44	-2.0	-108.25	387.74	7.37	-100.88
CCN(CC(=O)[O-])C(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C)=C2)=C1	REAL300001875995	1	47	-2.0	-120.21	394.86	7.95	-112.26
CCN(CC(=O)[O-])C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2)=C1	REAL300001875996	1	44	-2.0	-119.72	379.43	7.18	-112.54
CCN(CC(=O)[O-])C(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2)=CC=C1C	REAL300001875997	1	47	-2.0	-115.52	402.96	7.90	-107.62
CCN(CC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC=C2C)=C1	REAL300001876002	1	47	-2.0	-114.49	394.93	7.95	-106.54
CCN(CC(=O)[O-])C(=O)C1=CC(NC(C)=O)=CC=C1[N-]S(C)(=O)=O	REAL300001876065	0	41	-2.0	-124.04	355.80	2.33	-121.71
CCN(CC(=O)[O-])C(=O)C1=CC=CC=C1[N-]S(C)(=O)=O	REAL300001876108	0	34	-2.0	-107.36	304.82	3.62	-103.74
CCN(CC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300001876118	0	38	-2.0	-112.11	346.84	5.40	-106.71
CCN(CC(=O)[O-])C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300001876119	0	41	-2.0	-116.58	377.90	6.58	-110.00
CCN(CC(=O)[O-])C(=O)CC1=CSC([N-]C(=O)C(C)C)=N1	REAL300001876390	1	38	-2.0	-113.79	334.76	5.12	-108.67
CCN(CC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2)C=C1	REAL300001876455	1	45	-2.0	-96.77	386.89	5.77	-91.00
CCN(CC(=O)[O-])C(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O	REAL300001876533	0	34	-2.0	-108.92	306.12	3.50	-105.42
CCN(CC(=O)[O-])C(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O	REAL300001876543	1	40	-2.0	-125.48	345.64	5.33	-120.15
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N(CC)CC(=O)[O-]	REAL300001876546	0	40	-2.0	-109.25	347.79	5.31	-103.94
CCN(CC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300001876683	1	41	-2.0	-97.91	357.37	6.47	-91.44
CCN(CC(=O)[O-])C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1C	REAL300001876685	0	47	-2.0	-115.07	399.96	8.23	-106.84
CCN(CC(=O)[O-])C(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O	REAL300001877000	0	40	-2.0	-105.87	341.70	5.62	-100.25
CCN(CC(=O)[O-])C(=O)C1=CC(Br)=C([O-])C(Br)=C1	REAL300001877069	0	27	-2.0	-94.17	274.55	5.71	-88.46
CCN(CC(=O)[O-])C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300001877165	0	33	-2.0	-101.07	298.24	2.56	-98.51
CCN(CC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300001877207	1	40	-2.0	-93.52	352.41	4.70	-88.82
CCN(CC(=O)[O-])C(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-]	REAL300001877220	0	43	-2.0	-133.09	358.46	8.47	-124.62
CCN(CC(=O)[O-])C(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-]	REAL300001877221	0	43	-2.0	-129.60	357.76	8.46	-121.14
CCN(CC(=O)[O-])C(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-]	REAL300001877256	0	37	-2.0	-124.06	323.76	7.17	-116.89
CCN(CC(=O)[O-])C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300001877259	0	34	-2.0	-123.62	304.69	6.62	-117.00
CCN(CC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300001877279	0	34	-2.0	-97.90	316.45	3.83	-94.07
CCN(CC(=O)[O-])C(=O)C1=CN=C(I)C([O-])=C1	REAL300001877300	0	26	-2.0	-100.78	255.99	3.51	-97.27
CCN(CC(=O)[O-])C(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-]	REAL300001877333	0	37	-2.0	-133.32	322.98	7.18	-126.14
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(CC)CC(=O)[O-])=N1	REAL300001877334	0	40	-2.0	-130.97	337.16	8.12	-122.85
CCN(CC(=O)[O-])C(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O	REAL300001877350	1	40	-2.0	-124.16	344.90	5.27	-118.89
CCOC1=CC(C(=O)N(CC)CC(=O)[O-])=CC(Cl)=C1[O-]	REAL300001877407	1	34	-2.0	-101.25	303.98	6.08	-95.17
CCN(CC(=O)[O-])C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300001877411	0	37	-2.0	-130.51	334.01	7.41	-123.10
CCN(CC(=O)[O-])C(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-]	REAL300001877420	0	38	-2.0	-128.30	327.76	5.84	-122.46
CCN(CC(=O)[O-])C(=O)C1=C(C)N=C(C2=CC=CO2)[N-]C1=O	REAL300001877883	0	35	-2.0	-109.58	309.32	3.62	-105.96
COCCN(CCC(=O)[O-])C(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O	REAL300001878229	1	54	-2.0	-110.02	432.22	6.40	-103.62
COCCN(CCC(=O)[O-])C(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1	REAL300001878781	1	46	-2.0	-109.60	396.45	9.32	-100.28
COCCN(CCC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300001879143	1	47	-2.0	-89.37	397.02	2.88	-86.49
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(CCOC)CCC(=O)[O-])O1	REAL300001879144	1	38	-2.0	-88.91	343.40	0.35	-88.56
COCCN(CCC(=O)[O-])C(=O)CC1=CSC([N-]C(=O)C(C)C)=N1	REAL300001879639	1	45	-2.0	-96.33	387.18	4.66	-91.67
COCCN(CCC(=O)[O-])C(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O	REAL300001879831	1	47	-2.0	-106.73	398.04	4.86	-101.87
COCCN(CCC(=O)[O-])C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300001880637	1	37	-2.0	-114.85	323.97	6.44	-108.41
COCCN(CCC(=O)[O-])C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300001880713	0	40	-2.0	-115.81	350.03	2.08	-113.73
COCCN(CCC(=O)[O-])C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300001880731	1	39	-2.0	-112.78	338.99	3.58	-109.20
COCCN(CCC(=O)[O-])C(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-]	REAL300001880780	0	50	-2.0	-123.40	412.07	7.91	-115.49
COCCN(CCC(=O)[O-])C(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-]	REAL300001880781	0	50	-2.0	-122.23	411.52	7.95	-114.28
COCCN(CCC(=O)[O-])C(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-]	REAL300001880836	0	44	-2.0	-115.07	375.28	6.71	-108.36
COCCN(CCC(=O)[O-])C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300001880841	0	41	-2.0	-121.67	358.22	6.06	-115.61
COCCN(CCC(=O)[O-])C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300001880861	1	39	-2.0	-123.95	330.12	7.52	-116.43
COCCN(CCC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300001880879	0	41	-2.0	-88.42	365.90	4.04	-84.38
COCCN(CCC(=O)[O-])C(=O)C1=CN=C(I)C([O-])=C1	REAL300001880920	0	33	-2.0	-88.82	310.31	3.24	-85.58
COCCN(CCC(=O)[O-])C(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-]	REAL300001880971	0	44	-2.0	-127.69	376.57	6.64	-121.05
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(CCOC)CCC(=O)[O-])=N1	REAL300001880972	0	47	-2.0	-118.66	389.11	7.67	-110.99
COCCN(CCC(=O)[O-])C(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O	REAL300001881015	1	47	-2.0	-105.04	397.30	4.81	-100.23
COCCN(CCC(=O)[O-])C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300001881054	0	34	-2.0	-101.85	310.91	4.62	-97.23
COCCN(CCC(=O)[O-])C(=O)C1=C(OC)C(=O)[N-]C(=O)N1	REAL300001881060	1	37	-2.0	-105.97	327.72	-1.23	-107.20
COCCN(CCC(=O)[O-])C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300001881135	0	34	-2.0	-99.49	304.69	4.56	-94.93
CCOC1=CC(C(=O)N(CCOC)CCC(=O)[O-])=CC(Cl)=C1[O-]	REAL300001881139	1	41	-2.0	-106.24	355.75	5.60	-100.64
COCCN(CCC(=O)[O-])C(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-]	REAL300001881146	0	45	-2.0	-122.20	380.80	5.34	-116.86
C[N-]S(=O)(=O)C1=CC(C(=O)N(CCOC)CCC(=O)[O-])=CO1	REAL300001881158	1	38	-2.0	-99.29	337.38	-0.09	-99.38
COCCN(CCC(=O)[O-])C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300001881269	0	37	-2.0	-87.23	326.24	3.97	-83.26
COCCN(CCC(=O)[O-])C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300001881269	1	37	-2.0	-87.21	326.31	3.98	-83.23
COCCN(CCC(=O)[O-])C(=O)C1=CN=C(COC)[N-]C1=O	REAL300001881488	1	39	-2.0	-111.21	340.84	1.23	-109.98
COCCN(CCC(=O)[O-])C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300001881524	1	42	-2.0	-113.22	354.74	4.13	-109.09
COCCN(CCC(=O)[O-])C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300001881723	0	34	-2.0	-102.21	327.21	5.52	-96.69
CC1=C(CCC(=O)N(CCC(=O)[O-])C(C)C)C(=O)[N-]C(N2CCOCC2)=N1	REAL300001882339	1	53	-2.0	-102.82	413.78	7.62	-95.20
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N(CCC(=O)[O-])C(C)C)C=C1	REAL300001882868	1	45	-2.0	-113.07	378.00	10.52	-102.55
CC(C)N(CCC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300001883014	1	47	-2.0	-99.99	386.46	6.96	-93.03
CC(C)N(CCC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300001883015	1	47	-2.0	-108.18	387.32	6.97	-101.21
CC1=CC(C(=O)N(CCC(=O)[O-])C(C)C)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300001883026	0	43	-2.0	-85.17	373.32	5.38	-79.79
CC(C)N(CCC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300001883209	0	44	-2.0	-105.41	378.47	5.97	-99.44
CC(C)N(CCC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300001883227	1	46	-2.0	-115.75	378.26	3.95	-111.80
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(CCC(=O)[O-])C(C)C)O1	REAL300001883228	1	37	-2.0	-113.85	322.81	1.55	-112.30
CC(C)N(CCC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300001883453	0	44	-2.0	-106.56	379.26	5.98	-100.58
CC(C)C(=O)[N-]C1=NC(CC(=O)N(CCC(=O)[O-])C(C)C)=CS1	REAL300001883705	1	44	-2.0	-109.87	368.73	5.87	-104.00
CC1=C(CC(=O)N(CCC(=O)[O-])C(C)C)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001883881	1	46	-2.0	-116.51	379.59	6.07	-110.44
CC(C)N(CCC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300001884011	1	47	-2.0	-97.43	386.56	6.96	-90.47
CC(C)N(CCC(=O)[O-])C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300001884545	1	36	-2.0	-97.70	303.33	7.49	-90.21
CC(C)N(CCC(=O)[O-])C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300001884613	0	39	-2.0	-96.12	326.99	2.84	-93.28
CC(C)N(CCC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300001884659	1	46	-2.0	-93.60	381.60	5.19	-88.41
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N(CCC(=O)[O-])C(C)C)=N2)=C1	REAL300001884673	0	49	-2.0	-123.21	388.39	9.11	-114.10
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N(CCC(=O)[O-])C(C)C)=N2)C=C1	REAL300001884674	0	49	-2.0	-119.02	387.72	9.07	-109.95
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(CCC(=O)[O-])C(C)C)=N1	REAL300001884720	0	43	-2.0	-116.33	363.76	7.56	-108.77
CC(C)N(CCC(=O)[O-])C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300001884724	0	40	-2.0	-111.56	333.89	7.21	-104.35
CC(C)N(CCC(=O)[O-])C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300001884740	1	38	-2.0	-113.69	309.53	8.74	-104.95
CC(C)N(CCC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300001884756	0	40	-2.0	-92.85	348.87	4.41	-88.44
CC(C)N(CCC(=O)[O-])C(=O)C1=CN=C(I)C([O-])=C1	REAL300001884788	0	32	-2.0	-96.85	287.39	3.84	-93.01
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N(CCC(=O)[O-])C(C)C)=N2)=C1	REAL300001884821	0	43	-2.0	-121.50	352.28	7.81	-113.69
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(CCC(=O)[O-])C(C)C)=N1	REAL300001884822	0	46	-2.0	-119.69	378.38	8.25	-111.44
CC1=C(CC(=O)N(CCC(=O)[O-])C(C)C)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001884850	1	46	-2.0	-115.07	378.86	6.02	-109.05
CC(C)N(CCC(=O)[O-])C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300001884877	0	33	-2.0	-99.09	287.88	5.68	-93.41
CCOC1=CC(C(=O)N(CCC(=O)[O-])C(C)C)=CC(Cl)=C1[O-]	REAL300001884937	1	40	-2.0	-97.25	331.67	6.53	-90.72
CC(C)N(CCC(=O)[O-])C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300001884940	0	43	-2.0	-125.14	346.57	7.90	-117.24
COC1=CC=C(N2C=C([O-])C(C(=O)N(CCC(=O)[O-])C(C)C)=N2)C=C1	REAL300001884944	0	44	-2.0	-118.67	355.52	6.46	-112.21
C[N-]S(=O)(=O)C1=CC(C(=O)N(CCC(=O)[O-])C(C)C)=CO1	REAL300001884954	1	37	-2.0	-91.59	320.57	1.33	-90.26
CC(C)N(CCC(=O)[O-])C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300001885049	0	36	-2.0	-95.45	305.10	5.23	-90.22
CC(C)N(CCC(=O)[O-])C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300001885049	1	36	-2.0	-95.42	305.17	5.23	-90.19
CC(C)N(CCC(=O)[O-])C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300001885252	1	41	-2.0	-105.77	335.31	5.29	-100.48
CC(C)N(CCC(=O)[O-])C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300001885415	0	33	-2.0	-108.73	297.41	7.49	-101.24
COCCN(CC(=O)[O-])C(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O	REAL300001885962	1	51	-2.0	-117.92	412.82	6.09	-111.83
COCCN(CC(=O)[O-])C(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1	REAL300001886487	1	43	-2.0	-121.58	377.06	9.02	-112.56
COCCN(CC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300001886634	1	45	-2.0	-107.06	386.76	5.67	-101.39
COCCN(CC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300001886635	1	45	-2.0	-107.38	387.87	6.14	-101.24
COCCN(CC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C(F)(F)F)C(C)=C1	REAL300001886646	0	41	-2.0	-89.05	371.88	3.92	-85.13
COCCN(CC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300001886828	0	42	-2.0	-112.02	378.69	4.67	-107.35
COCCN(CC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300001886846	1	44	-2.0	-114.41	376.93	2.41	-112.00
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(CCOC)CC(=O)[O-])O1	REAL300001886847	1	35	-2.0	-111.94	322.16	-0.03	-111.97
COCCN(CC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300001887072	0	42	-2.0	-105.29	379.80	5.14	-100.15
COCCN(CC(=O)[O-])C(=O)CC1=CSC([N-]C(=O)C(C)C)=N1	REAL300001887328	1	42	-2.0	-99.67	367.80	4.36	-95.31
COCCN(CC(=O)[O-])C(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O	REAL300001887507	1	44	-2.0	-108.21	378.64	4.55	-103.66
COCCN(CC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300001887636	1	45	-2.0	-101.69	386.93	5.66	-96.03
COCCN(CC(=O)[O-])C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300001888182	1	34	-2.0	-125.77	302.74	6.03	-119.74
COCCN(CC(=O)[O-])C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300001888251	0	37	-2.0	-113.93	330.83	1.80	-112.13
COCCN(CC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300001888297	1	44	-2.0	-97.89	381.97	3.90	-93.99
COCCN(CC(=O)[O-])C(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-]	REAL300001888311	0	47	-2.0	-130.77	390.52	7.57	-123.20
COCCN(CC(=O)[O-])C(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-]	REAL300001888312	0	47	-2.0	-129.63	390.47	7.57	-122.06
COCCN(CC(=O)[O-])C(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-]	REAL300001888358	0	41	-2.0	-127.10	354.74	6.35	-120.75
COCCN(CC(=O)[O-])C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300001888362	0	38	-2.0	-127.73	336.68	5.72	-122.01
COCCN(CC(=O)[O-])C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300001888378	1	36	-2.0	-127.43	308.97	7.06	-120.37
COCCN(CC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300001888394	0	38	-2.0	-89.46	349.41	3.57	-85.89
COCCN(CC(=O)[O-])C(=O)C1=CN=C(I)C([O-])=C1	REAL300001888428	0	30	-2.0	-97.04	288.60	3.27	-93.77
COCCN(CC(=O)[O-])C(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-]	REAL300001888463	0	41	-2.0	-136.06	352.87	7.11	-128.95
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(CCOC)CC(=O)[O-])=N1	REAL300001888464	0	44	-2.0	-132.30	368.84	7.30	-125.00
COCCN(CC(=O)[O-])C(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O	REAL300001888492	1	44	-2.0	-106.20	377.91	4.50	-101.70
COCCN(CC(=O)[O-])C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300001888519	0	31	-2.0	-97.48	291.71	4.33	-93.15
COCCN(CC(=O)[O-])C(=O)C1=C(OC)C(=O)[N-]C(=O)N1	REAL300001888522	1	34	-2.0	-102.63	307.09	-1.64	-104.27
CCOC1=CC(C(=O)N(CCOC)CC(=O)[O-])=CC(Cl)=C1[O-]	REAL300001888582	1	38	-2.0	-105.18	336.56	5.31	-99.87
COCCN(CC(=O)[O-])C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300001888585	0	41	-2.0	-141.21	365.10	6.55	-134.66
COCCN(CC(=O)[O-])C(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-]	REAL300001888590	0	42	-2.0	-129.44	359.75	4.95	-124.49
C[N-]S(=O)(=O)C1=CC(C(=O)N(CCOC)CC(=O)[O-])=CO1	REAL300001888600	1	35	-2.0	-96.36	317.12	0.37	-95.99
COCCN(CC(=O)[O-])C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300001888694	0	34	-2.0	-96.91	304.38	3.55	-93.36
COCCN(CC(=O)[O-])C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300001888694	1	34	-2.0	-96.88	304.45	3.56	-93.32
COCCN(CC(=O)[O-])C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300001888906	1	39	-2.0	-124.31	333.70	3.76	-120.55
COCCN(CC(=O)[O-])C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300001889073	0	31	-2.0	-103.28	296.87	6.37	-96.91
O=C([O-])C1(NC(=O)C2=N[N-]C3=CC=CC=C3C2=O)CCC2=CC=CC=C21	REAL300001889756	0	39	-2.0	-133.39	331.08	8.16	-125.23
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)O1	REAL300001890493	1	39	-2.0	-105.96	347.20	2.61	-103.35
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)=CS1	REAL300001890949	1	46	-2.0	-132.39	389.11	7.01	-125.38
O=C([O-])C1(NC(=O)C2=CC=C([O-])C(F)=C2)CCC2=CC=CC=C21	REAL300001892017	1	35	-2.0	-111.90	300.58	6.82	-105.08
O=C([O-])C1(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CCC2=CC=CC=C21	REAL300001892028	1	38	-2.0	-137.11	331.04	8.91	-128.20
O=C([O-])C1(NC(=O)CCC2=N[N-]N=N2)CCC2=CC=CC=C21	REAL300001892056	0	35	-2.0	-108.39	298.16	4.87	-103.52
O=C([O-])C1(NC(=O)CCC2=NN=N[N-]2)CCC2=CC=CC=C21	REAL300001892056	1	35	-2.0	-108.39	298.22	4.88	-103.51
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)C=N1	REAL300001892126	0	41	-2.0	-114.78	355.81	4.93	-109.85
O=C([O-])C1(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)CCC2=CC=CC=C21	REAL300001892150	1	40	-2.0	-121.29	333.73	6.30	-114.99
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)=N1	REAL300001892267	0	45	-2.0	-145.91	383.02	9.12	-136.79
O=C([O-])C1(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CCC2=CC=CC=C21	REAL300001892272	0	42	-2.0	-146.98	361.55	8.13	-138.85
O=C([O-])C1(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)CCC2=CC=CC=C21	REAL300001892301	1	40	-2.0	-151.69	334.84	8.54	-143.15
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CCC4=CC=CC=C43)=N2)=C1	REAL300001892437	0	45	-2.0	-154.61	379.89	8.71	-145.90
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)=N1	REAL300001892438	0	48	-2.0	-153.22	396.40	9.80	-143.42
O=C([O-])C1(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)CCC2=CC=CC=C21	REAL300001892551	0	35	-2.0	-108.91	316.59	7.37	-101.54
COC1=C(C(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)NC(=O)[N-]C1=O	REAL300001892562	1	38	-2.0	-110.95	322.85	2.01	-108.94
O=C([O-])C1(NC(=O)CCCC2=N[N-]N=N2)CCC2=CC=CC=C21	REAL300001892638	0	38	-2.0	-119.15	320.00	5.71	-113.44
O=C([O-])C1(NC(=O)CCCC2=NN=N[N-]2)CCC2=CC=CC=C21	REAL300001892638	1	38	-2.0	-119.10	320.05	5.72	-113.38
O=C([O-])C1(NC(=O)C2=CC=C([O-])C(Cl)=C2)CCC2=CC=CC=C21	REAL300001892669	0	35	-2.0	-110.04	310.38	7.32	-102.72
CCOC1=CC(C(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)=CC(Cl)=C1[O-]	REAL300001892673	1	42	-2.0	-114.53	361.43	8.35	-106.18
COC1=CC=C(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CCC4=CC=CC=C43)=N2)C=C1	REAL300001892679	0	46	-2.0	-148.89	384.62	7.36	-141.53
C[N-]S(=O)(=O)C1=CC(C(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)=CO1	REAL300001892695	1	39	-2.0	-117.44	346.48	2.62	-114.82
O=C([O-])C1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCC2=CC=CC=C21	REAL300001892830	0	38	-2.0	-100.66	330.24	5.49	-95.17
O=C([O-])C1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC2=CC=CC=C21	REAL300001892830	1	38	-2.0	-100.65	330.31	5.49	-95.16
COCC1=NC=C(C(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)C(=O)[N-]1	REAL300001893090	1	40	-2.0	-121.26	335.68	4.04	-117.22
O=C([O-])C1(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)CCC2=CC=CC=C21	REAL300001893132	1	43	-2.0	-121.48	349.48	6.83	-114.65
O=C([O-])C1(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCC2=CC=CC=C21	REAL300001893376	0	35	-2.0	-131.69	325.10	8.94	-122.75
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C)O1	REAL300001894856	1	47	-2.0	-91.09	403.40	2.61	-88.48
CCOCCCN(CC(C)C(=O)[O-])C(=O)CC1=CSC([N-]C(=O)C(C)C)=N1	REAL300001895252	1	54	-2.0	-95.76	444.63	6.68	-89.08
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1=CC=C([O-])C(F)=C1	REAL300001896264	1	43	-2.0	-94.78	354.69	6.21	-88.57
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300001896276	1	46	-2.0	-115.26	386.20	8.56	-106.70
CCOCCCN(CC(C)C(=O)[O-])C(=O)CCC1=N[N-]N=N1	REAL300001896314	0	43	-2.0	-92.68	353.53	4.61	-88.07
CCOCCCN(CC(C)C(=O)[O-])C(=O)CCC1=NN=N[N-]1	REAL300001896314	1	43	-2.0	-92.71	353.59	4.62	-88.09
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300001896377	0	49	-2.0	-117.00	409.04	4.05	-112.95
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300001896400	1	48	-2.0	-115.18	397.68	5.68	-109.50
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1=CN=CC([O-])=C1	REAL300001896433	1	42	-2.0	-95.96	342.62	4.20	-91.76
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300001896516	0	50	-2.0	-118.23	412.17	8.19	-110.04
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300001896547	1	48	-2.0	-126.09	390.17	9.75	-116.34
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300001896779	0	43	-2.0	-103.27	370.86	6.62	-96.65
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1=C(OC)C(=O)[N-]C(=O)N1	REAL300001896791	1	46	-2.0	-109.32	385.77	1.13	-108.19
CCOCCCN(CC(C)C(=O)[O-])C(=O)CCCC1=N[N-]N=N1	REAL300001896869	0	46	-2.0	-92.97	378.68	5.52	-87.45
CCOCCCN(CC(C)C(=O)[O-])C(=O)CCCC1=NN=N[N-]1	REAL300001896869	1	46	-2.0	-92.93	378.74	5.54	-87.39
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300001896901	0	43	-2.0	-91.70	364.48	6.69	-85.01
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1=CC(Cl)=C([O-])C(OCC)=C1	REAL300001896904	1	50	-2.0	-106.82	415.71	7.60	-99.22
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1=COC(S(=O)(=O)[N-]C)=C1	REAL300001896925	1	47	-2.0	-98.85	396.12	2.10	-96.75
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300001897062	0	46	-2.0	-94.22	380.14	6.13	-88.09
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300001897062	1	46	-2.0	-94.17	380.20	6.13	-88.04
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1=C[N-]N=CC1=O	REAL300001897284	0	41	-2.0	-103.76	346.61	4.82	-98.94
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1=CN=C(COC)[N-]C1=O	REAL300001897307	1	48	-2.0	-113.58	399.58	3.33	-110.25
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300001897349	1	51	-2.0	-116.87	414.25	6.26	-110.61
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300001897579	0	43	-2.0	-103.41	378.01	8.55	-94.86
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(CCC(=O)[O-])CC2CCCO2)O1	REAL300001899175	1	42	-2.0	-117.25	365.42	1.68	-115.57
CC(C)C(=O)[N-]C1=NC(CC(=O)N(CCC(=O)[O-])CC2CCCO2)=CS1	REAL300001899636	1	49	-2.0	-101.25	410.76	6.22	-95.03
O=C([O-])CCN(CC1CCCO1)C(=O)C1=CC=C([O-])C(F)=C1	REAL300001900701	1	38	-2.0	-108.33	318.81	5.28	-103.05
O=C([O-])CCN(CC1CCCO1)C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300001900711	1	41	-2.0	-103.83	347.98	7.51	-96.32
CS(=O)(=O)[N-]C1=CC=C(C(=O)N(CCC(=O)[O-])CC2CCCO2)C=N1	REAL300001900798	0	44	-2.0	-117.31	373.96	3.29	-114.02
O=C([O-])CCN(CC1CCCO1)C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300001900821	1	43	-2.0	-116.41	362.79	4.80	-111.61
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(CCC(=O)[O-])CC2CCCO2)=N1	REAL300001900937	0	48	-2.0	-119.78	398.06	8.74	-111.04
O=C([O-])CCN(CC1CCCO1)C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300001900942	0	45	-2.0	-126.79	376.91	7.49	-119.30
O=C([O-])CCN(CC1CCCO1)C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300001900971	1	43	-2.0	-119.63	352.18	8.85	-110.78
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N(CCC(=O)[O-])CC3CCCO3)=N2)=C1	REAL300001901105	0	48	-2.0	-127.93	395.26	8.07	-119.86
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(CCC(=O)[O-])CC2CCCO2)=N1	REAL300001901106	0	51	-2.0	-124.60	411.44	9.65	-114.95
O=C([O-])CCN(CC1CCCO1)C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300001901217	0	38	-2.0	-103.76	334.85	5.83	-97.93
COC1=C(C(=O)N(CCC(=O)[O-])CC2CCCO2)NC(=O)[N-]C1=O	REAL300001901228	1	41	-2.0	-107.76	350.87	0.67	-107.09
O=C([O-])CCN(CC1CCCO1)C(=O)CCCC1=N[N-]N=N1	REAL300001901302	0	41	-2.0	-94.42	341.33	4.92	-89.50
O=C([O-])CCN(CC1CCCO1)C(=O)CCCC1=NN=N[N-]1	REAL300001901302	1	41	-2.0	-94.40	341.39	4.93	-89.47
O=C([O-])CCN(CC1CCCO1)C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300001901333	0	38	-2.0	-103.27	328.60	5.77	-97.50
CCOC1=CC(C(=O)N(CCC(=O)[O-])CC2CCCO2)=CC(Cl)=C1[O-]	REAL300001901337	1	45	-2.0	-108.26	379.70	6.80	-101.46
COC1=CC=C(N2C=C([O-])C(C(=O)N(CCC(=O)[O-])CC3CCCO3)=N2)C=C1	REAL300001901343	0	49	-2.0	-124.84	399.91	6.71	-118.13
C[N-]S(=O)(=O)C1=CC(C(=O)N(CCC(=O)[O-])CC2CCCO2)=CO1	REAL300001901358	1	42	-2.0	-116.02	355.74	1.58	-114.44
O=C([O-])CCN(CC1CCCO1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300001901492	0	41	-2.0	-98.55	347.51	5.41	-93.14
O=C([O-])CCN(CC1CCCO1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300001901492	1	41	-2.0	-98.50	347.58	5.43	-93.07
COCC1=NC=C(C(=O)N(CCC(=O)[O-])CC2CCCO2)C(=O)[N-]1	REAL300001901745	1	43	-2.0	-114.76	364.63	2.45	-112.31
O=C([O-])CCN(CC1CCCO1)C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300001901788	1	46	-2.0	-116.74	378.55	5.35	-111.39
O=C([O-])CCN(CC1CCCO1)C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300001902026	0	38	-2.0	-109.43	346.62	7.39	-102.04
CC(C)(C)C1=CC=C(C(CC(=O)[O-])NC(=O)C2=CC=C([O-])C(F)=C2)C=C1	REAL300001904082	1	46	-2.0	-97.79	376.88	8.26	-89.53
CC(C)(C)C1=CC=C(C(CC(=O)[O-])NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300001904134	0	46	-2.0	-95.62	374.14	6.29	-89.33
CC(C)(C)C1=CC=C(C(CC(=O)[O-])NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300001904134	1	46	-2.0	-95.66	374.20	6.30	-89.36
CC(C)(C)C1=CC=C(C(CC(=O)[O-])NC(=O)C2=CN=C(C3CC3)[N-]C2=O)C=C1	REAL300001904197	1	51	-2.0	-103.88	408.67	7.70	-96.18
CC(C)(C)C1=CC=C(C(CC(=O)[O-])NC(=O)C2=CN=CC([O-])=C2)C=C1	REAL300001904213	1	45	-2.0	-102.38	365.62	6.34	-96.04
CC(C)(C)C1=CC=C(C(CC(=O)[O-])NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C=C1	REAL300001904291	1	51	-2.0	-130.44	417.92	11.06	-119.38
CC(C)(C)C1=CC=C(C(CC(=O)[O-])NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C=C1	REAL300001904488	0	46	-2.0	-95.56	392.89	8.82	-86.74
COC1=C(C(=O)NC(CC(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)NC(=O)[N-]C1=O	REAL300001904501	1	49	-2.0	-99.93	405.77	4.63	-95.30
CC(C)(C)C1=CC=C(C(CC(=O)[O-])NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300001904560	0	49	-2.0	-106.10	395.64	7.07	-99.03
CC(C)(C)C1=CC=C(C(CC(=O)[O-])NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300001904560	1	49	-2.0	-106.11	395.70	7.08	-99.03
CC(C)(C)C1=CC=C(C(CC(=O)[O-])NC(=O)C2=CC=C([O-])C(Cl)=C2)C=C1	REAL300001904585	0	46	-2.0	-95.45	386.68	8.76	-86.69
CC(C)(C)C1=CC=C(C(CC(=O)[O-])NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300001904693	0	49	-2.0	-91.69	413.32	7.55	-84.14
CC(C)(C)C1=CC=C(C(CC(=O)[O-])NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300001904693	1	49	-2.0	-91.65	413.39	7.55	-84.10
CC(C)(C)C1=CC=C(C(CC(=O)[O-])NC(=O)C2=C[N-]N=CC2=O)C=C1	REAL300001904843	0	44	-2.0	-95.01	357.83	6.77	-88.24
COCC1=NC=C(C(=O)NC(CC(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C(=O)[N-]1	REAL300001904859	1	51	-2.0	-116.32	409.40	6.43	-109.89
CC(C)(C)C1=CC=C(C(CC(=O)[O-])NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C=C1	REAL300001904891	1	54	-2.0	-104.04	424.42	8.23	-95.81
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCSCC2CC(=O)[O-])C=C1	REAL300001906230	1	44	-2.0	-140.56	375.88	11.53	-129.03
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCSCC2CC(=O)[O-])O1	REAL300001906582	1	45	-2.0	-98.60	374.84	4.58	-94.02
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCSCC2CC(=O)[O-])O1	REAL300001906583	1	36	-2.0	-96.35	320.44	2.47	-93.88
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCSCC2CC(=O)[O-])=CS1	REAL300001907065	1	43	-2.0	-118.82	365.01	6.67	-112.15
CC1=C(CC(=O)N2CCSCC2CC(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001907260	1	45	-2.0	-121.73	374.97	6.87	-114.86
O=C([O-])CC1CSCCN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300001908144	1	35	-2.0	-136.74	303.62	7.92	-128.82
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCSCC2CC(=O)[O-])C=N1	REAL300001908229	0	38	-2.0	-106.03	326.84	4.30	-101.73
O=C([O-])CC1CSCCN1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300001908251	1	37	-2.0	-110.27	311.56	5.55	-104.72
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCSCC3CC(=O)[O-])=N2)=C1	REAL300001908301	0	48	-2.0	-142.06	388.32	9.88	-132.18
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCSCC3CC(=O)[O-])=N2)C=C1	REAL300001908302	0	48	-2.0	-140.89	388.28	9.87	-131.02
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCSCC2CC(=O)[O-])=N1	REAL300001908365	0	42	-2.0	-137.86	355.12	8.95	-128.91
O=C([O-])CC1CSCCN1C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300001908370	0	39	-2.0	-138.95	334.47	8.02	-130.93
O=C([O-])CC1CSCCN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300001908396	1	37	-2.0	-148.44	311.04	8.03	-140.41
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCSCC3CC(=O)[O-])=N2)=C1	REAL300001908528	0	42	-2.0	-147.07	353.32	8.80	-138.27
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCSCC2CC(=O)[O-])=N1	REAL300001908529	0	45	-2.0	-144.37	369.55	9.66	-134.71
CC1=C(CC(=O)N2CCSCC2CC(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001908582	1	45	-2.0	-121.70	375.18	7.04	-114.66
O=C([O-])CC1CSCCN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300001908629	0	32	-2.0	-104.01	287.63	6.84	-97.17
COC1=C(C(=O)N2CCSCC2CC(=O)[O-])NC(=O)[N-]C1=O	REAL300001908637	1	35	-2.0	-101.82	297.24	1.86	-99.96
O=C([O-])CC1CSCCN1C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300001908735	0	32	-2.0	-102.84	282.87	6.78	-96.06
CCOC1=CC(C(=O)N2CCSCC2CC(=O)[O-])=CC(Cl)=C1[O-]	REAL300001908738	1	39	-2.0	-107.12	333.91	7.83	-99.29
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCSCC3CC(=O)[O-])=N2)C=C1	REAL300001908746	0	43	-2.0	-140.44	357.57	7.25	-133.19
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCSCC2CC(=O)[O-])=CO1	REAL300001908761	1	36	-2.0	-111.97	317.13	2.26	-109.71
O=C([O-])CC1CSCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300001908888	0	35	-2.0	-92.96	303.77	5.78	-87.18
O=C([O-])CC1CSCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300001908888	1	35	-2.0	-92.95	303.84	5.80	-87.15
COCC1=NC=C(C(=O)N2CCSCC2CC(=O)[O-])C(=O)[N-]1	REAL300001909135	1	37	-2.0	-107.11	306.80	3.23	-103.88
O=C([O-])CC1CSCCN1C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300001909173	1	40	-2.0	-110.39	327.32	6.11	-104.28
O=C([O-])CC1CSCCN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300001909404	0	32	-2.0	-116.86	299.84	8.01	-108.85
CC1=C(CCC(=O)NC(C)(C)CC(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300001910063	1	50	-2.0	-96.38	387.27	5.28	-91.10
CC(C)(CC(=O)[O-])NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1	REAL300001910481	1	44	-2.0	-94.80	375.19	5.35	-89.45
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300001910539	1	42	-2.0	-104.42	351.47	8.23	-96.19
CC(C)(CC(=O)[O-])NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300001910584	1	44	-2.0	-87.40	374.97	5.38	-82.02
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300001910586	1	47	-2.0	-89.79	388.65	6.07	-83.72
CC(C)(CC(=O)[O-])NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300001910675	1	44	-2.0	-93.76	368.58	5.31	-88.45
CC(C)(CC(=O)[O-])NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300001910676	1	44	-2.0	-97.97	368.75	5.30	-92.67
CC1=CC(C(=O)NC(C)(C)CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300001910686	0	40	-2.0	-79.04	350.00	3.49	-75.55
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NC(C)(C)CC(=O)[O-])C=C2)C=C1	REAL300001910786	1	47	-2.0	-90.47	390.14	5.98	-84.49
CC(C)(CC(=O)[O-])NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300001910853	0	41	-2.0	-94.60	360.50	4.32	-90.28
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C)(C)CC(=O)[O-])O1	REAL300001910870	1	43	-2.0	-85.76	355.91	1.52	-84.24
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C)(C)CC(=O)[O-])O1	REAL300001910871	1	34	-2.0	-84.93	300.46	-0.89	-85.82
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NC(C)(C)CC(=O)[O-])=C2)C=C1	REAL300001910965	1	47	-2.0	-101.37	390.16	5.96	-95.41
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)NC(C)(C)CC(=O)[O-])=C2)=C1	REAL300001910992	1	47	-2.0	-101.93	390.17	5.97	-95.96
CC(C)(CC(=O)[O-])NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300001911080	0	41	-2.0	-96.40	360.69	4.31	-92.09
CC(C)(CC(=O)[O-])NC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300001911081	0	44	-2.0	-104.44	385.35	4.97	-99.47
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(C)(C)CC(=O)[O-])=CS1	REAL300001911303	1	41	-2.0	-98.64	342.22	3.51	-95.13
CC1=C(CC(=O)NC(C)(C)CC(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001911449	1	43	-2.0	-104.10	353.08	3.71	-100.39
CC(C)(CC(=O)[O-])NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300001911578	1	44	-2.0	-89.84	368.74	5.30	-84.54
CC(C)(CC(=O)[O-])NC(=O)C1=CC(Br)=C([O-])C(Br)=C1	REAL300001911963	0	30	-2.0	-81.60	288.41	4.63	-76.97
CC(C)(CC(=O)[O-])NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300001912000	1	33	-2.0	-98.56	284.17	5.74	-92.82
CC(C)(CC(=O)[O-])NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300001912056	0	36	-2.0	-90.85	309.07	1.46	-89.39
CC(C)(CC(=O)[O-])NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300001912097	1	43	-2.0	-86.28	363.78	3.53	-82.75
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC(C)(C)CC(=O)[O-])=N2)=C1	REAL300001912111	0	46	-2.0	-111.09	368.67	6.49	-104.60
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(C)(C)CC(=O)[O-])=N2)C=C1	REAL300001912112	0	46	-2.0	-109.83	368.60	6.49	-103.34
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(C)(C)CC(=O)[O-])=N1	REAL300001912148	0	40	-2.0	-106.75	336.13	5.58	-101.17
CC(C)(CC(=O)[O-])NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300001912151	0	37	-2.0	-107.82	314.82	4.63	-103.19
CC(C)(CC(=O)[O-])NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300001912172	0	37	-2.0	-82.89	330.30	2.72	-80.17
CC(C)(CC(=O)[O-])NC(=O)C1=CN=C(I)C([O-])=C1	REAL300001912198	0	29	-2.0	-85.86	269.53	2.46	-83.40
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(C)(C)CC(=O)[O-])=N2)=C1	REAL300001912222	0	40	-2.0	-114.24	333.16	5.22	-109.02
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(C)(C)CC(=O)[O-])=N1	REAL300001912223	0	43	-2.0	-112.61	349.67	6.30	-106.31
CC1=C(CC(=O)NC(C)(C)CC(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001912237	1	43	-2.0	-102.64	352.35	3.66	-98.98
CCOC1=CC(C(=O)NC(C)(C)CC(=O)[O-])=CC(Cl)=C1[O-]	REAL300001912290	1	37	-2.0	-89.22	314.68	4.89	-84.33
CC(C)(CC(=O)[O-])NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300001912293	0	40	-2.0	-114.35	338.30	6.00	-108.35
COC1=CC=C(N2C=C([O-])C(C(=O)NC(C)(C)CC(=O)[O-])=N2)C=C1	REAL300001912296	0	41	-2.0	-109.76	337.89	3.87	-105.89
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C)(C)CC(=O)[O-])=CO1	REAL300001912305	1	34	-2.0	-90.87	299.60	-0.90	-91.77
CC(C)(CC(=O)[O-])NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300001912654	0	30	-2.0	-94.77	278.23	5.77	-89.00
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N(CC(=O)[O-])C2CCOCC2)C=C1	REAL300001913717	1	47	-2.0	-122.55	388.43	9.54	-113.01
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N(CC(=O)[O-])C2CCOCC2)O1	REAL300001914074	1	48	-2.0	-113.03	390.16	3.37	-109.66
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(CC(=O)[O-])C2CCOCC2)O1	REAL300001914075	1	39	-2.0	-109.24	336.92	0.82	-108.42
CC(C)C(=O)[N-]C1=NC(CC(=O)N(CC(=O)[O-])C2CCOCC2)=CS1	REAL300001914562	1	46	-2.0	-100.91	381.20	5.17	-95.74
CC1=C(CC(=O)N(CC(=O)[O-])C2CCOCC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001914758	1	48	-2.0	-107.62	390.01	5.07	-102.55
O=C([O-])CN(C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1CCOCC1	REAL300001915635	1	38	-2.0	-118.43	309.55	6.34	-112.09
CS(=O)(=O)[N-]C1=CC=C(C(=O)N(CC(=O)[O-])C2CCOCC2)C=N1	REAL300001915721	0	41	-2.0	-113.09	343.59	2.59	-110.50
O=C([O-])CN(C(=O)C1=CN=C(C2CC2)[N-]C1=O)C1CCOCC1	REAL300001915743	1	40	-2.0	-125.63	331.02	4.00	-121.63
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N(CC(=O)[O-])C3CCOCC3)=N2)=C1	REAL300001915795	0	51	-2.0	-136.35	405.05	8.41	-127.94
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N(CC(=O)[O-])C3CCOCC3)=N2)C=C1	REAL300001915796	0	51	-2.0	-131.91	404.69	8.42	-123.49
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(CC(=O)[O-])C2CCOCC2)=N1	REAL300001915858	0	45	-2.0	-126.97	369.42	7.16	-119.81
O=C([O-])CN(C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1CCOCC1	REAL300001915863	0	42	-2.0	-128.10	351.20	6.55	-121.55
O=C([O-])CN(C(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1CCOCC1	REAL300001915888	1	40	-2.0	-126.81	322.75	7.81	-119.00
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N(CC(=O)[O-])C3CCOCC3)=N2)=C1	REAL300001916018	0	45	-2.0	-134.87	366.98	7.15	-127.72
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(CC(=O)[O-])C2CCOCC2)=N1	REAL300001916019	0	48	-2.0	-133.99	382.95	8.11	-125.88
CC1=C(CC(=O)N(CC(=O)[O-])C2CCOCC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001916069	1	48	-2.0	-105.61	389.28	5.02	-100.59
O=C([O-])CN(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1CCOCC1	REAL300001916114	0	35	-2.0	-97.06	304.47	5.12	-91.94
COC1=C(C(=O)N(CC(=O)[O-])C2CCOCC2)NC(=O)[N-]C1=O	REAL300001916121	1	38	-2.0	-102.03	319.91	-0.89	-102.92
O=C([O-])CN(C(=O)C1=CC=C([O-])C(Cl)=C1)C1CCOCC1	REAL300001916215	0	35	-2.0	-103.09	288.71	4.72	-98.37
CCOC1=CC(C(=O)N(CC(=O)[O-])C2CCOCC2)=CC(Cl)=C1[O-]	REAL300001916218	1	42	-2.0	-104.63	349.31	6.10	-98.53
COC1=CC=C(N2C=C([O-])C(C(=O)N(CC(=O)[O-])C3CCOCC3)=N2)C=C1	REAL300001916226	0	46	-2.0	-131.14	373.97	5.81	-125.33
C[N-]S(=O)(=O)C1=CC(C(=O)N(CC(=O)[O-])C2CCOCC2)=CO1	REAL300001916240	1	39	-2.0	-107.48	332.24	0.41	-107.07
O=C([O-])CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCOCC1	REAL300001916367	0	38	-2.0	-96.46	318.79	4.43	-92.03
O=C([O-])CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCOCC1	REAL300001916367	1	38	-2.0	-96.46	318.85	4.43	-92.03
COCC1=NC=C(C(=O)N(CC(=O)[O-])C2CCOCC2)C(=O)[N-]1	REAL300001916609	1	40	-2.0	-104.36	323.52	2.20	-102.16
O=C([O-])CN(C(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1CCOCC1	REAL300001916646	1	43	-2.0	-126.12	346.77	4.55	-121.57
O=C([O-])CN(C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CCOCC1	REAL300001916877	0	35	-2.0	-117.84	304.71	6.89	-110.95
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(CCC(=O)[O-])C2CCOCC2)O1	REAL300001918465	1	42	-2.0	-112.77	357.12	1.21	-111.56
CC(C)C(=O)[N-]C1=NC(CC(=O)N(CCC(=O)[O-])C2CCOCC2)=CS1	REAL300001918926	1	49	-2.0	-111.05	400.95	5.28	-105.77
O=C([O-])CCN(C(=O)C1=CC=C([O-])C(F)=C1)C1CCOCC1	REAL300001919991	1	38	-2.0	-96.89	305.79	4.60	-92.29
O=C([O-])CCN(C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1CCOCC1	REAL300001920001	1	41	-2.0	-112.30	333.45	6.82	-105.48
CS(=O)(=O)[N-]C1=CC=C(C(=O)N(CCC(=O)[O-])C2CCOCC2)C=N1	REAL300001920088	0	44	-2.0	-100.48	357.92	1.86	-98.62
O=C([O-])CCN(C(=O)C1=CN=C(C2CC2)[N-]C1=O)C1CCOCC1	REAL300001920111	1	43	-2.0	-94.81	340.06	4.53	-90.28
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(CCC(=O)[O-])C2CCOCC2)=N1	REAL300001920227	0	48	-2.0	-112.91	389.38	6.67	-106.24
O=C([O-])CCN(C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1CCOCC1	REAL300001920232	0	45	-2.0	-113.05	368.97	6.93	-106.12
O=C([O-])CCN(C(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1CCOCC1	REAL300001920261	1	43	-2.0	-114.53	343.00	8.27	-106.26
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N(CCC(=O)[O-])C3CCOCC3)=N2)=C1	REAL300001920395	0	48	-2.0	-122.96	386.34	7.48	-115.48
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(CCC(=O)[O-])C2CCOCC2)=N1	REAL300001920396	0	51	-2.0	-116.41	404.87	7.77	-108.64
O=C([O-])CCN(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1CCOCC1	REAL300001920507	0	38	-2.0	-93.75	321.81	5.15	-88.60
COC1=C(C(=O)N(CCC(=O)[O-])C2CCOCC2)NC(=O)[N-]C1=O	REAL300001920518	1	41	-2.0	-105.16	341.45	-0.31	-105.47
O=C([O-])CCN(C(=O)CCCC1=N[N-]N=N1)C1CCOCC1	REAL300001920592	0	41	-2.0	-91.59	332.54	4.20	-87.39
O=C([O-])CCN(C(=O)CCCC1=NN=N[N-]1)C1CCOCC1	REAL300001920592	1	41	-2.0	-91.60	332.60	4.22	-87.38
O=C([O-])CCN(C(=O)C1=CC=C([O-])C(Cl)=C1)C1CCOCC1	REAL300001920623	0	38	-2.0	-94.24	314.42	5.16	-89.08
CCOC1=CC(C(=O)N(CCC(=O)[O-])C2CCOCC2)=CC(Cl)=C1[O-]	REAL300001920627	1	45	-2.0	-99.82	362.44	6.10	-93.72
COC1=CC=C(N2C=C([O-])C(C(=O)N(CCC(=O)[O-])C3CCOCC3)=N2)C=C1	REAL300001920633	0	49	-2.0	-119.85	392.03	6.16	-113.69
C[N-]S(=O)(=O)C1=CC(C(=O)N(CCC(=O)[O-])C2CCOCC2)=CO1	REAL300001920648	1	42	-2.0	-93.56	351.35	0.74	-92.82
O=C([O-])CCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCOCC1	REAL300001920782	0	41	-2.0	-95.72	338.74	4.90	-90.82
O=C([O-])CCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCOCC1	REAL300001920782	1	41	-2.0	-95.67	338.81	4.90	-90.77
COCC1=NC=C(C(=O)N(CCC(=O)[O-])C2CCOCC2)C(=O)[N-]1	REAL300001921035	1	43	-2.0	-94.88	345.58	2.29	-92.59
O=C([O-])CCN(C(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1CCOCC1	REAL300001921078	1	46	-2.0	-114.12	369.89	4.98	-109.14
O=C([O-])CCN(C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CCOCC1	REAL300001921316	0	38	-2.0	-108.47	329.64	6.97	-101.50
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])O1	REAL300001922905	1	39	-2.0	-120.48	345.98	3.40	-117.08
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=CS1	REAL300001923361	1	46	-2.0	-116.84	389.89	7.89	-108.95
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)C1=CC=C([O-])C(F)=C1	REAL300001924429	1	35	-2.0	-107.63	298.24	7.26	-100.37
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300001924440	1	38	-2.0	-110.62	332.32	8.63	-101.99
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)CCC1=N[N-]N=N1	REAL300001924468	0	35	-2.0	-100.82	298.99	5.78	-95.04
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)CCC1=NN=N[N-]1	REAL300001924468	1	35	-2.0	-100.85	299.05	5.80	-95.05
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=N1	REAL300001924538	0	41	-2.0	-114.78	354.78	5.42	-109.36
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300001924562	1	40	-2.0	-118.94	341.30	6.76	-112.18
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=N1	REAL300001924679	0	45	-2.0	-128.47	376.16	9.91	-118.56
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300001924684	0	42	-2.0	-128.90	359.90	9.12	-119.78
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300001924713	1	40	-2.0	-132.15	332.95	10.20	-121.95
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC4=CC=CC=C4C3C(=O)[O-])=N2)=C1	REAL300001924849	0	45	-2.0	-138.86	377.55	9.81	-129.05
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=N1	REAL300001924850	0	48	-2.0	-135.24	399.54	10.26	-124.98
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300001924963	0	35	-2.0	-103.82	314.55	7.85	-95.97
COC1=C(C(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])NC(=O)[N-]C1=O	REAL300001924974	1	38	-2.0	-103.45	330.28	1.76	-101.69
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)CCCC1=N[N-]N=N1	REAL300001925050	0	38	-2.0	-110.39	320.49	6.57	-103.82
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)CCCC1=NN=N[N-]1	REAL300001925050	1	38	-2.0	-110.37	320.55	6.58	-103.79
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300001925081	0	35	-2.0	-104.74	308.03	7.74	-97.00
CCOC1=CC(C(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300001925085	1	42	-2.0	-111.98	359.36	8.81	-103.17
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC4=CC=CC=C4C3C(=O)[O-])=N2)C=C1	REAL300001925091	0	46	-2.0	-133.77	383.03	8.36	-125.41
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=CO1	REAL300001925107	1	39	-2.0	-115.90	341.15	3.09	-112.81
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300001925242	0	38	-2.0	-100.45	328.41	6.71	-93.74
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300001925242	1	38	-2.0	-100.40	328.48	6.73	-93.67
COCC1=NC=C(C(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C(=O)[N-]1	REAL300001925502	1	40	-2.0	-129.41	342.12	4.38	-125.03
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300001925544	1	43	-2.0	-129.56	356.72	7.31	-122.25
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300001925788	0	35	-2.0	-125.29	326.07	8.62	-116.67
CC1=C(CCC(=O)NC(C(=O)[O-])C2CC2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300001926459	1	48	-2.0	-107.58	389.65	5.89	-101.69
O=C([O-])C(NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1)C1CC1	REAL300001926866	1	42	-2.0	-109.42	375.44	5.95	-103.47
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300001926926	1	40	-2.0	-129.07	357.62	8.90	-120.17
O=C([O-])C(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1)C1CC1	REAL300001926971	1	42	-2.0	-103.90	377.89	6.01	-97.89
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300001926973	1	45	-2.0	-100.26	391.59	6.70	-93.56
O=C([O-])C(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C1CC1	REAL300001927061	1	42	-2.0	-107.96	374.32	5.97	-101.99
O=C([O-])C(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C1CC1	REAL300001927062	1	42	-2.0	-113.74	371.15	5.93	-107.81
CC1=CC(C(=O)NC(C(=O)[O-])C2CC2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300001927071	0	38	-2.0	-92.51	355.74	4.15	-88.36
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NC(C(=O)[O-])C3CC3)C=C2)C=C1	REAL300001927165	1	45	-2.0	-100.76	393.08	6.61	-94.15
O=C([O-])C(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C1CC1	REAL300001927231	0	39	-2.0	-109.51	366.25	4.98	-104.53
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C2CC2)O1	REAL300001927248	1	41	-2.0	-98.19	359.83	2.31	-95.88
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C2CC2)O1	REAL300001927249	1	32	-2.0	-96.69	304.21	-0.21	-96.90
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NC(C(=O)[O-])C3CC3)=C2)C=C1	REAL300001927341	1	45	-2.0	-116.52	390.42	6.56	-109.96
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)NC(C(=O)[O-])C3CC3)=C2)=C1	REAL300001927366	1	45	-2.0	-116.95	390.41	6.57	-110.38
O=C([O-])C(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C1CC1	REAL300001927455	0	39	-2.0	-111.79	360.93	4.91	-106.88
O=C([O-])C(NC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C1CC1	REAL300001927456	0	42	-2.0	-119.63	391.11	5.65	-113.98
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(C(=O)[O-])C2CC2)=CS1	REAL300001927670	1	39	-2.0	-111.10	345.12	4.16	-106.94
CC1=C(CC(=O)NC(C(=O)[O-])C2CC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001927815	1	41	-2.0	-115.80	355.08	4.30	-111.50
O=C([O-])C(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C1CC1	REAL300001927943	1	42	-2.0	-101.12	374.48	5.96	-95.16
O=C([O-])C(NC(=O)C1=CC(Br)=C([O-])C(Br)=C1)C1CC1	REAL300001928319	0	28	-2.0	-95.41	288.65	5.23	-90.18
O=C([O-])C(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1CC1	REAL300001928355	1	31	-2.0	-119.25	289.90	6.54	-112.71
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(C(=O)[O-])C2CC2)C=N1	REAL300001928411	0	34	-2.0	-103.97	311.98	2.09	-101.88
O=C([O-])C(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C1CC1	REAL300001928451	1	41	-2.0	-97.22	369.52	4.20	-93.02
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3CC3)=N2)=C1	REAL300001928465	0	44	-2.0	-134.22	371.00	7.11	-127.11
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3CC3)=N2)C=C1	REAL300001928466	0	44	-2.0	-132.60	368.85	7.09	-125.51
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(C(=O)[O-])C2CC2)=N1	REAL300001928502	0	38	-2.0	-128.54	333.12	6.19	-122.35
O=C([O-])C(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1CC1	REAL300001928505	0	35	-2.0	-131.27	315.07	5.24	-126.03
O=C([O-])C(NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C1CC1	REAL300001928526	0	35	-2.0	-97.87	332.69	3.36	-94.51
O=C([O-])C(NC(=O)C1=CN=C(I)C([O-])=C1)C1CC1	REAL300001928552	0	27	-2.0	-101.13	271.94	3.09	-98.04
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3CC3)=N2)=C1	REAL300001928574	0	38	-2.0	-137.28	335.55	5.84	-131.44
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(C(=O)[O-])C2CC2)=N1	REAL300001928575	0	41	-2.0	-135.26	345.08	6.98	-128.28
CC1=C(CC(=O)NC(C(=O)[O-])C2CC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001928588	1	41	-2.0	-113.78	355.27	4.29	-109.49
CCOC1=CC(C(=O)NC(C(=O)[O-])C2CC2)=CC(Cl)=C1[O-]	REAL300001928638	1	35	-2.0	-103.34	317.09	5.51	-97.83
O=C([O-])C(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C1CC1	REAL300001928641	0	38	-2.0	-137.89	338.55	6.61	-131.28
COC1=CC=C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3CC3)=N2)C=C1	REAL300001928644	0	39	-2.0	-132.22	338.13	4.47	-127.75
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C(=O)[O-])C2CC2)=CO1	REAL300001928653	1	32	-2.0	-104.13	302.01	-0.29	-104.42
O=C([O-])C(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CC1	REAL300001928986	0	28	-2.0	-114.56	281.17	6.55	-108.01
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC(C(=O)[O-])=CC(OC)=C2OC)O1	REAL300001930109	1	40	-2.0	-93.28	371.03	0.27	-93.01
COC1=CC=C(C(=O)NC2=CC(C(=O)[O-])=CC(OC)=C2OC)C([O-])=C1	REAL300001931034	1	40	-2.0	-128.40	344.62	5.22	-123.18
COC1=CC(C(=O)[O-])=CC(NC(=O)C2=CC=C([O-])C(F)=C2)=C1OC	REAL300001931463	1	36	-2.0	-103.45	323.26	4.51	-98.94
COC1=CC(C(=O)[O-])=CC(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])=C1OC	REAL300001931475	1	39	-2.0	-118.60	353.90	6.92	-111.68
COC1=CC(C(=O)[O-])=CC(NC(=O)CCC2=N[N-]N=N2)=C1OC	REAL300001931515	0	36	-2.0	-97.92	321.84	2.56	-95.36
COC1=CC(C(=O)[O-])=CC(NC(=O)CCC2=NN=N[N-]2)=C1OC	REAL300001931515	1	36	-2.0	-97.94	321.90	2.58	-95.36
COC1=CC(C(=O)[O-])=CC(NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)=C1OC	REAL300001931572	0	42	-2.0	-101.24	379.63	2.60	-98.64
COC1=CC(C(=O)[O-])=CC(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)=C1OC	REAL300001931593	1	41	-2.0	-102.96	356.49	3.99	-98.97
COC1=CC(C(=O)[O-])=CC(NC(=O)C2=CN=CC([O-])=C2)=C1OC	REAL300001931624	1	35	-2.0	-104.66	313.23	2.61	-102.05
COC1=CC(C(=O)[O-])=CC(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)=C1OC	REAL300001931732	0	41	-2.0	-129.16	358.54	6.55	-122.61
COC1=CC(C(=O)[O-])=CC(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)=C1OC	REAL300001931968	0	36	-2.0	-97.58	339.27	5.06	-92.52
COC1=CC(C(=O)[O-])=CC(NC(=O)CCCC2=N[N-]N=N2)=C1OC	REAL300001932053	0	39	-2.0	-110.36	343.34	3.34	-107.02
COC1=CC(C(=O)[O-])=CC(NC(=O)CCCC2=NN=N[N-]2)=C1OC	REAL300001932053	1	39	-2.0	-110.42	343.40	3.36	-107.06
COC1=CC(C(=O)[O-])=CC(NC(=O)C2=CC=C([O-])C(Cl)=C2)=C1OC	REAL300001932083	0	36	-2.0	-100.14	333.03	5.00	-95.14
CCOC1=CC(C(=O)NC2=CC(C(=O)[O-])=CC(OC)=C2OC)=CC(Cl)=C1[O-]	REAL300001932086	1	43	-2.0	-101.72	384.12	6.04	-95.68
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC(C(=O)[O-])=CC(OC)=C2OC)=CO1	REAL300001932107	1	40	-2.0	-105.64	370.17	0.23	-105.41
COC1=CC(C(=O)[O-])=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1OC	REAL300001932237	0	39	-2.0	-90.33	354.01	3.14	-87.19
COC1=CC(C(=O)[O-])=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1OC	REAL300001932237	1	39	-2.0	-90.36	353.94	3.13	-87.23
COC1=CC(C(=O)[O-])=CC(NC(=O)C2=C[N-]N=CC2=O)=C1OC	REAL300001932452	0	34	-2.0	-94.60	304.63	3.04	-91.56
COCC1=NC=C(C(=O)NC2=CC(C(=O)[O-])=CC(OC)=C2OC)C(=O)[N-]1	REAL300001932474	1	41	-2.0	-102.50	358.53	1.65	-100.85
COC1=CC(C(=O)[O-])=CC(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)=C1OC	REAL300001932514	1	44	-2.0	-102.96	372.24	4.54	-98.42
COC1=CC(C(=O)[O-])=CC(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=C1OC	REAL300001932735	0	36	-2.0	-114.08	347.98	6.96	-107.12
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C3SC(C(=O)[O-])=CC3=C2)O1	REAL300001934368	1	35	-2.0	-88.24	347.46	2.33	-85.91
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C2SC(C(=O)[O-])=CC2=C1	REAL300001934561	0	38	-2.0	-96.93	355.04	5.63	-91.30
CC1=C(C(=O)NC2=CC=C3SC(C(=O)[O-])=CC3=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300001935109	1	44	-2.0	-89.88	378.85	7.13	-82.75
COC1=CC=C(C(=O)NC2=CC=C3SC(C(=O)[O-])=CC3=C2)C([O-])=C1	REAL300001935569	1	35	-2.0	-104.46	321.58	7.32	-97.14
O=C([O-])C1=CC2=CC(NC(=O)C3=CC=C([O-])C(F)=C3)=CC=C2S1	REAL300001936122	1	31	-2.0	-90.58	300.85	6.55	-84.03
O=C([O-])C1=CC2=CC(NC(=O)C3=CC=C(C(F)(F)F)C=C3[O-])=CC=C2S1	REAL300001936135	1	34	-2.0	-96.40	330.87	9.00	-87.40
O=C([O-])C1=CC2=CC(NC(=O)CCC3=N[N-]N=N3)=CC=C2S1	REAL300001936191	0	31	-2.0	-88.39	298.38	4.63	-83.76
O=C([O-])C1=CC2=CC(NC(=O)CCC3=NN=N[N-]3)=CC=C2S1	REAL300001936191	1	31	-2.0	-88.38	298.44	4.64	-83.74
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=C3SC(C(=O)[O-])=CC3=C2)C=N1	REAL300001936272	0	37	-2.0	-92.49	356.09	4.66	-87.83
O=C([O-])C1=CC2=CC(NC(=O)C3=CN=C(C4CC4)[N-]C3=O)=CC=C2S1	REAL300001936303	1	36	-2.0	-88.64	333.82	6.06	-82.58
O=C([O-])C1=CC2=CC(NC(=O)C3=CN=CC([O-])=C3)=CC=C2S1	REAL300001936342	1	30	-2.0	-92.01	289.69	4.67	-87.34
O=C([O-])C1=CC2=CC(NC(=O)C3=NN(C4=CC=CC(F)=C4)C=C3[O-])=CC=C2S1	REAL300001936454	0	38	-2.0	-104.30	361.81	7.83	-96.47
O=C([O-])C1=CC2=CC(NC(=O)C3=C([O-])C4=CC=CC=C4C=N3)=CC=C2S1	REAL300001936501	0	36	-2.0	-104.31	334.97	8.64	-95.67
O=C([O-])C1=CC2=CC(NC(=O)C3=CC(F)=C([O-])C(Cl)=C3)=CC=C2S1	REAL300001936791	0	31	-2.0	-88.02	316.59	7.11	-80.91
O=C([O-])C1=CC2=CC(NC(=O)CCCC3=N[N-]N=N3)=CC=C2S1	REAL300001936907	0	34	-2.0	-96.38	319.88	5.41	-90.97
O=C([O-])C1=CC2=CC(NC(=O)CCCC3=NN=N[N-]3)=CC=C2S1	REAL300001936907	1	34	-2.0	-96.35	319.94	5.43	-90.92
O=C([O-])C1=CC2=CC(NC(=O)C3=CC=C([O-])C(Cl)=C3)=CC=C2S1	REAL300001936943	0	31	-2.0	-87.28	310.65	7.05	-80.23
CCOC1=CC(C(=O)NC2=CC=C3SC(C(=O)[O-])=CC3=C2)=CC(Cl)=C1[O-]	REAL300001936947	1	38	-2.0	-91.52	361.43	8.10	-83.42
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=C3SC(C(=O)[O-])=CC3=C2)=CO1	REAL300001936980	1	35	-2.0	-94.91	346.63	2.31	-92.60
O=C([O-])C1=CC2=CC(NC(=O)C3=C(C(=O)C4=CC=CC=C4)N=C[N-]3)=CC=C2S1	REAL300001937069	0	39	-2.0	-92.09	359.05	10.99	-81.10
O=C([O-])C1=CC2=CC(NC(=O)C3=C(C(=O)C4=CC=CC=C4)[N-]C=N3)=CC=C2S1	REAL300001937069	1	39	-2.0	-92.09	359.00	11.02	-81.07
O=C([O-])C1=CC2=CC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=CC=C2S1	REAL300001937142	0	34	-2.0	-84.23	330.14	5.22	-79.01
O=C([O-])C1=CC2=CC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)=CC=C2S1	REAL300001937142	1	34	-2.0	-84.28	330.07	5.21	-79.07
O=C([O-])C1=CC2=CC(NC(=O)C3=C[N-]N=CC3=O)=CC=C2S1	REAL300001937422	0	29	-2.0	-80.44	281.89	5.11	-75.33
COCC1=NC=C(C(=O)NC2=CC=C3SC(C(=O)[O-])=CC3=C2)C(=O)[N-]1	REAL300001937455	1	36	-2.0	-88.32	335.94	3.75	-84.57
O=C([O-])C1=CC2=CC(NC(=O)C3=CN=C(C4CCC4)[N-]C3=O)=CC=C2S1	REAL300001937503	1	39	-2.0	-88.59	349.58	6.61	-81.98
O=C([O-])C1=CC2=CC(NC(=O)C3=CC(Cl)=CC(Cl)=C3[O-])=CC=C2S1	REAL300001937808	0	31	-2.0	-92.59	324.94	9.04	-83.55
CC1=C(C(=O)NC2=CC=C3SC(C(=O)[O-])=CC3=C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300001938112	0	39	-2.0	-93.10	359.09	6.21	-86.89
CCC(C)N(CC(=O)[O-])C(=O)CCC1=C(C)N=C(N2CCOCC2)NC1=O	REAL300001938674	0	53	-2.0	-117.86	412.17	8.26	-109.60
CCC(C)N(CC(=O)[O-])C(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O	REAL300001938674	1	53	-2.0	-117.86	412.17	8.26	-109.60
CCC(C)N(CC(=O)[O-])C(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1	REAL300001939203	1	45	-2.0	-121.34	378.00	11.54	-109.80
CCC(C)N(CC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300001939349	1	47	-2.0	-113.89	386.19	7.76	-106.13
CCC(C)N(CC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300001939350	1	47	-2.0	-105.13	387.63	7.77	-97.36
CCC(C)N(CC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C(F)(F)F)C(C)=C1	REAL300001939361	0	43	-2.0	-88.14	370.38	6.00	-82.14
CCC(C)N(CC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300001939544	0	44	-2.0	-102.72	378.11	6.76	-95.96
CCC(C)N(CC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300001939562	1	46	-2.0	-113.66	378.24	4.68	-108.98
CCC(C)N(CC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C)O1	REAL300001939563	1	37	-2.0	-111.63	322.81	2.16	-109.47
CCC(C)N(CC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300001939788	0	44	-2.0	-103.04	379.57	6.78	-96.26
CCC(C)N(CC(=O)[O-])C(=O)CC1=CSC([N-]C(=O)C(C)C)=N1	REAL300001940040	1	44	-2.0	-99.36	368.84	6.75	-92.61
CCC(C)N(CC(=O)[O-])C(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O	REAL300001940216	1	46	-2.0	-107.77	379.54	6.98	-100.79
CCC(C)N(CC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300001940346	1	47	-2.0	-98.60	386.35	7.75	-90.85
CCC(C)N(CC(=O)[O-])C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300001940880	1	36	-2.0	-111.99	302.94	8.22	-103.77
CCC(C)N(CC(=O)[O-])C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300001940948	0	39	-2.0	-112.34	327.57	3.88	-108.46
CCC(C)N(CC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300001940994	1	46	-2.0	-94.22	381.41	5.98	-88.24
CCC(C)N(CC(=O)[O-])C(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-]	REAL300001941008	0	49	-2.0	-134.55	388.78	9.81	-124.74
CCC(C)N(CC(=O)[O-])C(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-]	REAL300001941009	0	49	-2.0	-131.68	391.21	9.92	-121.76
CCC(C)N(CC(=O)[O-])C(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-]	REAL300001941055	0	43	-2.0	-125.68	357.97	8.97	-116.71
CCC(C)N(CC(=O)[O-])C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300001941059	0	40	-2.0	-123.95	335.40	7.98	-115.97
CCC(C)N(CC(=O)[O-])C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300001941075	1	38	-2.0	-127.78	310.43	9.35	-118.43
CCC(C)N(CC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300001941091	0	40	-2.0	-87.41	349.17	5.21	-82.20
CCC(C)N(CC(=O)[O-])C(=O)C1=CN=C(I)C([O-])=C1	REAL300001941123	0	32	-2.0	-95.16	289.84	4.91	-90.25
CCC(C)N(CC(=O)[O-])C(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-]	REAL300001941156	0	43	-2.0	-135.81	355.79	8.65	-127.16
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(CC(=O)[O-])C(C)CC)=N1	REAL300001941157	0	46	-2.0	-130.07	368.80	9.50	-120.57
CCC(C)N(CC(=O)[O-])C(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O	REAL300001941185	1	46	-2.0	-105.70	378.81	6.93	-98.77
CCC(C)N(CC(=O)[O-])C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300001941212	0	33	-2.0	-95.48	286.47	6.32	-89.16
CCOC1=CC(C(=O)N(CC(=O)[O-])C(C)CC)=CC(Cl)=C1[O-]	REAL300001941272	1	40	-2.0	-103.54	333.28	7.41	-96.13
CCC(C)N(CC(=O)[O-])C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300001941275	0	43	-2.0	-143.28	363.49	8.66	-134.62
CCC(C)N(CC(=O)[O-])C(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-]	REAL300001941279	0	44	-2.0	-130.71	360.51	7.30	-123.41
CCC(C)N(CC(=O)[O-])C(=O)C1=COC(S(=O)(=O)[N-]C)=C1	REAL300001941289	1	37	-2.0	-93.50	318.15	2.00	-91.50
CCC(C)N(CC(=O)[O-])C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300001941384	0	36	-2.0	-96.05	305.86	5.84	-90.21
CCC(C)N(CC(=O)[O-])C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300001941384	1	36	-2.0	-96.02	305.92	5.85	-90.17
CCC(C)N(CC(=O)[O-])C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300001941587	1	41	-2.0	-111.78	330.03	5.80	-105.98
CCC(C)N(CC(=O)[O-])C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300001941750	0	33	-2.0	-101.43	295.56	8.14	-93.29
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2=CC=C(C(=O)[O-])C=C2C)C=C1	REAL300001942894	1	43	-2.0	-112.99	378.80	10.84	-102.15
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300001943257	1	44	-2.0	-89.62	381.44	4.11	-85.51
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2C)O1	REAL300001943258	1	35	-2.0	-89.19	326.68	1.69	-87.50
CC1=CC(C(=O)[O-])=CC=C1NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1	REAL300001943756	1	42	-2.0	-108.09	368.45	6.10	-101.99
CC1=CC(C(=O)[O-])=CC=C1NC(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O	REAL300001943949	1	44	-2.0	-110.17	378.38	6.24	-103.93
COC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2C)C([O-])=C1	REAL300001944378	1	35	-2.0	-111.67	301.10	6.64	-105.03
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300001944796	1	34	-2.0	-105.85	310.40	8.34	-97.51
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300001944880	0	37	-2.0	-95.91	335.29	4.02	-91.89
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300001944901	1	36	-2.0	-92.03	312.87	5.44	-86.59
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-]	REAL300001944950	0	47	-2.0	-114.82	395.88	9.08	-105.74
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-]	REAL300001944951	0	47	-2.0	-114.15	394.80	9.03	-105.12
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-]	REAL300001945007	0	41	-2.0	-111.11	357.78	8.15	-102.96
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300001945012	0	38	-2.0	-112.86	342.03	7.23	-105.63
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300001945034	0	36	-2.0	-114.35	314.20	7.96	-106.39
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CN=C(I)C([O-])=C1	REAL300001945096	0	30	-2.0	-92.90	295.73	5.03	-87.87
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC=C(C(=O)[O-])C=C3C)=N2)=C1	REAL300001945149	0	41	-2.0	-118.86	359.34	7.76	-111.10
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(C(=O)[O-])C=C2C)=N1	REAL300001945150	0	44	-2.0	-116.53	369.09	8.89	-107.64
CC1=CC(C(=O)[O-])=CC=C1NC(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O	REAL300001945197	1	44	-2.0	-108.85	378.56	6.23	-102.62
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300001945239	0	31	-2.0	-91.44	296.07	6.48	-84.96
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300001945330	0	31	-2.0	-90.96	289.84	6.41	-84.55
CCOC1=CC(C(=O)NC2=CC=C(C(=O)[O-])C=C2C)=CC(Cl)=C1[O-]	REAL300001945334	1	38	-2.0	-95.01	340.91	7.46	-87.55
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(C(=O)[O-])C=C3C)=N2)C=C1	REAL300001945342	0	42	-2.0	-113.98	365.09	6.46	-107.52
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=C(C(=O)[O-])C=C2C)=CO1	REAL300001945354	1	35	-2.0	-100.39	325.81	1.65	-98.74
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300001945470	0	34	-2.0	-86.62	309.66	4.56	-82.06
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300001945470	1	34	-2.0	-86.61	309.59	4.56	-82.05
COCC1=NC=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2C)C(=O)[N-]1	REAL300001945702	1	36	-2.0	-91.63	314.72	3.10	-88.53
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300001945739	1	39	-2.0	-92.03	328.62	5.99	-86.04
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300001945956	0	31	-2.0	-101.48	304.46	8.38	-93.10
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)O1	REAL300001968988	1	35	-2.0	-95.80	349.39	1.84	-93.96
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=CS1	REAL300001969406	1	42	-2.0	-114.66	391.15	6.24	-108.42
O=C([O-])C(NC(=O)C1=CC=C([O-])C(F)=C1)C1=CC=C(Cl)C=C1	REAL300001970454	1	31	-2.0	-99.12	302.11	6.14	-92.98
O=C([O-])C(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1=CC=C(Cl)C=C1	REAL300001970465	1	34	-2.0	-117.17	333.08	8.61	-108.56
O=C([O-])C(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL300001970500	0	31	-2.0	-95.47	299.56	4.18	-91.29
O=C([O-])C(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL300001970500	1	31	-2.0	-95.46	299.61	4.20	-91.26
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C=N1	REAL300001970566	0	37	-2.0	-103.20	357.95	4.18	-99.02
O=C([O-])C(NC(=O)C1=CN=CC([O-])=C1)C1=CC=C(Cl)C=C1	REAL300001970626	1	30	-2.0	-102.87	291.55	4.18	-98.69
O=C([O-])C(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1=CC=C(Cl)C=C1	REAL300001970708	0	38	-2.0	-128.16	363.10	7.41	-120.75
O=C([O-])C(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=CC=C(Cl)C=C1	REAL300001970739	1	36	-2.0	-133.46	336.90	8.23	-125.23
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=N1	REAL300001970869	0	44	-2.0	-134.03	398.58	9.03	-125.00
O=C([O-])C(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=CC=C(Cl)C=C1	REAL300001970976	0	31	-2.0	-96.02	318.74	6.63	-89.39
COC1=C(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)NC(=O)[N-]C1=O	REAL300001970988	1	34	-2.0	-96.94	324.86	1.71	-95.23
O=C([O-])C(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL300001971065	0	34	-2.0	-103.75	321.66	4.92	-98.83
O=C([O-])C(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL300001971065	1	34	-2.0	-103.81	321.72	4.93	-98.88
O=C([O-])C(NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=CC=C(Cl)C=C1	REAL300001971097	0	31	-2.0	-96.94	311.90	6.63	-90.31
CCOC1=CC(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=CC(Cl)=C1[O-]	REAL300001971100	1	38	-2.0	-101.41	362.96	7.67	-93.74
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=CO1	REAL300001971120	1	35	-2.0	-101.55	347.89	1.86	-99.69
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=C(Cl)C=C1	REAL300001971259	0	34	-2.0	-90.21	332.30	4.70	-85.51
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=C(Cl)C=C1	REAL300001971259	1	34	-2.0	-90.19	332.36	4.72	-85.47
O=C([O-])C(NC(=O)C1=C[N-]N=CC1=O)C1=CC=C(Cl)C=C1	REAL300001971486	0	29	-2.0	-100.67	283.57	4.70	-95.97
COCC1=NC=C(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C(=O)[N-]1	REAL300001971509	1	36	-2.0	-110.52	337.49	3.30	-107.22
O=C([O-])C(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=CC=C(Cl)C=C1	REAL300001971791	0	31	-2.0	-113.30	327.15	8.64	-104.66
CC1=CC(F)=CC=C1C(F)(F)C(=O)[N-]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300001971873	1	36	-2.0	-126.07	341.48	7.88	-118.19
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CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(C(=O)[O-])CCC2)O1	REAL300001983795	1	41	-2.0	-99.89	352.24	2.55	-97.34
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(C(=O)[O-])CCC2)O1	REAL300001983796	1	32	-2.0	-98.65	297.47	0.10	-98.55
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CC(C)C(=O)[N-]C1=NC(CC(=O)NC2(C(=O)[O-])CCC2)=CS1	REAL300001984217	1	39	-2.0	-125.63	339.32	4.45	-121.18
CC1=C(CC(=O)NC2(C(=O)[O-])CCC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300001984362	1	41	-2.0	-135.77	349.31	4.64	-131.13
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CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2(C(=O)[O-])CCC2)C=N1	REAL300001984958	0	34	-2.0	-108.06	306.21	2.42	-105.64
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CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CCC3)=N2)=C1	REAL300001985012	0	44	-2.0	-141.65	365.49	7.50	-134.15
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CCC3)=N2)C=C1	REAL300001985013	0	44	-2.0	-140.59	365.61	7.49	-133.10
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2(C(=O)[O-])CCC2)=N1	REAL300001985049	0	38	-2.0	-136.92	333.02	6.60	-130.32
O=C([O-])C1(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CCC1	REAL300001985052	0	35	-2.0	-138.56	311.70	5.65	-132.91
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CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CCC3)=N2)=C1	REAL300001985121	0	38	-2.0	-145.49	330.04	6.23	-139.26
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2(C(=O)[O-])CCC2)=N1	REAL300001985122	0	41	-2.0	-143.34	339.41	7.39	-135.95
CC1=C(CC(=O)NC2(C(=O)[O-])CCC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300001985135	1	41	-2.0	-122.38	349.59	4.62	-117.76
CCOC1=CC(C(=O)NC2(C(=O)[O-])CCC2)=CC(Cl)=C1[O-]	REAL300001985185	1	35	-2.0	-107.71	311.82	5.85	-101.86
O=C([O-])C1(NC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])CCC1	REAL300001985188	0	38	-2.0	-144.56	335.19	7.02	-137.54
COC1=CC=C(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CCC3)=N2)C=C1	REAL300001985191	0	39	-2.0	-140.14	334.77	4.88	-135.26
C[N-]S(=O)(=O)C1=CC(C(=O)NC2(C(=O)[O-])CCC2)=CO1	REAL300001985200	1	32	-2.0	-111.40	296.85	0.08	-111.32
O=C([O-])C1(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCC1	REAL300001985533	0	28	-2.0	-123.97	275.24	6.43	-117.54
CCCCCC(NC(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O)C(=O)[O-]	REAL300001986016	1	56	-2.0	-105.58	447.51	7.78	-97.80
CCCCCC(NC(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1)C(=O)[O-]	REAL300001986567	1	48	-2.0	-126.92	411.15	10.72	-116.20
CCCCCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300001986929	1	49	-2.0	-96.81	415.58	4.01	-92.80
CCCCCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C)O1)C(=O)[O-]	REAL300001986930	1	40	-2.0	-95.74	360.13	1.60	-94.14
CCCCCC(NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1)C(=O)[O-]	REAL300001987428	1	47	-2.0	-110.24	401.89	6.02	-104.22
CCCCCC(NC(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O)C(=O)[O-]	REAL300001987620	1	49	-2.0	-115.72	413.58	6.16	-109.56
CCCCCC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300001988409	1	39	-2.0	-117.39	344.68	8.33	-109.06
CCCCCC(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300001988486	0	42	-2.0	-103.32	369.58	3.90	-99.42
CCCCCC(NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C(=O)[O-]	REAL300001988504	1	41	-2.0	-109.97	346.64	5.35	-104.62
CCCCCC(NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-])C(=O)[O-]	REAL300001988552	0	52	-2.0	-132.15	429.18	8.93	-123.22
CCCCCC(NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])C(=O)[O-]	REAL300001988553	0	52	-2.0	-130.61	429.11	8.93	-121.68
CCCCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-])C(=O)[O-]	REAL300001988606	0	46	-2.0	-127.15	396.64	8.03	-119.12
CCCCCC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300001988611	0	43	-2.0	-127.99	375.09	7.16	-120.83
CCCCCC(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(=O)[O-]	REAL300001988631	1	41	-2.0	-132.95	347.65	8.00	-124.95
CCCCCC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300001988649	0	43	-2.0	-95.83	389.97	5.22	-90.61
CCCCCC(NC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300001988689	0	35	-2.0	-98.93	329.21	4.96	-93.97
CCCCCC(NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-])C(=O)[O-]	REAL300001988739	0	46	-2.0	-135.21	393.42	7.74	-127.47
CCCCCC(NC(=O)C1=NN(C2=CC=CC=C2CC)C=C1[O-])C(=O)[O-]	REAL300001988740	0	49	-2.0	-133.96	409.94	8.81	-125.15
CCCCCC(NC(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O)C(=O)[O-]	REAL300001988782	1	49	-2.0	-113.57	412.85	6.11	-107.46
CCCCCC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300001988819	0	36	-2.0	-96.51	329.51	6.42	-90.09
CCCCCC(NC(=O)C1=C(OC)C(=O)[N-]C(=O)N1)C(=O)[O-]	REAL300001988825	1	39	-2.0	-98.16	336.25	1.49	-96.67
CCCCCC(NC(=O)C1=CC(Cl)=C([O-])C(OCC)=C1)C(=O)[O-]	REAL300001988902	1	43	-2.0	-101.48	374.36	7.39	-94.09
CCCCCC(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300001988905	0	46	-2.0	-136.26	398.81	8.45	-127.81
CCCCCC(NC(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-])C(=O)[O-]	REAL300001988910	0	47	-2.0	-130.18	398.40	6.31	-123.87
CCCCCC(NC(=O)C1=COC(S(=O)(=O)[N-]C)=C1)C(=O)[O-]	REAL300001988921	1	40	-2.0	-102.18	360.11	1.55	-100.63
CCCCCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300001989026	0	39	-2.0	-90.10	343.64	4.50	-85.60
CCCCCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300001989026	1	39	-2.0	-90.05	343.71	4.51	-85.54
CCCCCC(NC(=O)C1=CN=C(COC)[N-]C1=O)C(=O)[O-]	REAL300001989242	1	41	-2.0	-108.74	349.17	2.95	-105.79
CCCCCC(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(=O)[O-]	REAL300001989278	1	44	-2.0	-110.09	362.39	5.89	-104.20
CCCCCC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300001989473	0	36	-2.0	-113.34	337.89	8.42	-104.92
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)O1	REAL300001990887	1	35	-2.0	-100.31	344.22	1.82	-98.49
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)=CS1	REAL300001991305	1	42	-2.0	-117.04	385.15	6.19	-110.85
O=C([O-])C(NC(=O)C1=CC=C([O-])C(F)=C1)C1=CC=CC=C1Cl	REAL300001992353	1	31	-2.0	-104.87	297.97	5.99	-98.88
O=C([O-])C(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1=CC=CC=C1Cl	REAL300001992364	1	34	-2.0	-124.40	329.06	8.55	-115.85
O=C([O-])C(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC=C1Cl	REAL300001992399	0	31	-2.0	-101.17	296.13	4.06	-97.11
O=C([O-])C(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1Cl	REAL300001992399	1	31	-2.0	-101.17	296.19	4.07	-97.10
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)C=N1	REAL300001992465	0	37	-2.0	-108.58	353.95	4.13	-104.45
O=C([O-])C(NC(=O)C1=CN=CC([O-])=C1)C1=CC=CC=C1Cl	REAL300001992525	1	30	-2.0	-109.34	286.82	4.09	-105.25
O=C([O-])C(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1=CC=CC=C1Cl	REAL300001992607	0	38	-2.0	-135.40	358.59	7.34	-128.06
O=C([O-])C(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=CC=CC=C1Cl	REAL300001992638	1	36	-2.0	-141.69	332.11	8.13	-133.56
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)=N1	REAL300001992768	0	44	-2.0	-142.65	393.54	8.93	-133.72
O=C([O-])C(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=CC=CC=C1Cl	REAL300001992875	0	31	-2.0	-101.43	312.12	6.55	-94.88
COC1=C(C(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)NC(=O)[N-]C1=O	REAL300001992887	1	34	-2.0	-102.26	319.99	1.64	-100.62
O=C([O-])C(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1Cl	REAL300001992964	0	34	-2.0	-110.30	316.92	4.82	-105.48
O=C([O-])C(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1Cl	REAL300001992964	1	34	-2.0	-110.27	316.97	4.83	-105.44
O=C([O-])C(NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=CC=CC=C1Cl	REAL300001992996	0	31	-2.0	-102.88	307.76	6.49	-96.39
CCOC1=CC(C(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)=CC(Cl)=C1[O-]	REAL300001992999	1	38	-2.0	-107.21	358.74	7.51	-99.70
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)=CO1	REAL300001993019	1	35	-2.0	-107.82	343.75	1.71	-106.11
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=C1Cl	REAL300001993158	0	34	-2.0	-95.37	328.26	4.65	-90.72
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=C1Cl	REAL300001993158	1	34	-2.0	-95.33	328.32	4.67	-90.66
O=C([O-])C(NC(=O)C1=C[N-]N=CC1=O)C1=CC=CC=C1Cl	REAL300001993385	0	29	-2.0	-106.82	278.67	4.60	-102.22
COCC1=NC=C(C(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)C(=O)[N-]1	REAL300001993408	1	36	-2.0	-115.87	332.39	3.22	-112.65
O=C([O-])C(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=CC=CC=C1Cl	REAL300001993690	0	31	-2.0	-120.93	322.37	8.55	-112.38
CC1=CC(F)=CC=C1C(F)(F)C(=O)[N-]C(C(=O)[O-])C1=CC=CC=C1Cl	REAL300001993772	1	36	-2.0	-129.06	332.89	7.85	-121.21
CC1=CC=C(F)C=C1C(F)(F)C(=O)[N-]C(C(=O)[O-])C1=CC=CC=C1Cl	REAL300001994090	1	36	-2.0	-134.67	334.71	8.46	-126.21
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=CC=C2F)O1	REAL300001995333	1	44	-2.0	-104.33	392.28	3.87	-100.46
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=CC=C2F)O1	REAL300001995334	1	35	-2.0	-103.22	337.07	1.39	-101.83
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)=CS1	REAL300001995804	1	42	-2.0	-121.17	378.55	5.87	-115.30
O=C([O-])C(NC(=O)C1=CC=C([O-])C(F)=C1)C1=CC=CC=C1F	REAL300001996893	1	31	-2.0	-108.15	290.41	5.65	-102.50
O=C([O-])C(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1=CC=CC=C1F	REAL300001996903	1	34	-2.0	-128.75	320.78	8.16	-120.59
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=CC=C2F)C=N1	REAL300001996987	0	37	-2.0	-111.74	345.69	3.75	-107.99
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3=CC=CC=C3F)=N2)=C1	REAL300001997061	0	47	-2.0	-143.40	405.28	8.79	-134.61
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3=CC=CC=C3F)=N2)C=C1	REAL300001997062	0	47	-2.0	-141.73	404.96	8.84	-132.89
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(C(=O)[O-])C2=CC=CC=C2F)=N1	REAL300001997129	0	41	-2.0	-138.32	372.43	7.95	-130.37
O=C([O-])C(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1=CC=CC=C1F	REAL300001997134	0	38	-2.0	-138.93	351.18	6.99	-131.94
O=C([O-])C(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=CC=CC=C1F	REAL300001997164	1	36	-2.0	-145.79	324.32	7.86	-137.93
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3=CC=CC=C3F)=N2)=C1	REAL300001997299	0	41	-2.0	-146.63	369.77	7.52	-139.11
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(C(=O)[O-])C2=CC=CC=C2F)=N1	REAL300001997300	0	44	-2.0	-146.29	386.38	8.60	-137.69
O=C([O-])C(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=CC=CC=C1F	REAL300001997413	0	31	-2.0	-104.49	305.63	6.23	-98.26
COC1=C(C(=O)NC(C(=O)[O-])C2=CC=CC=C2F)NC(=O)[N-]C1=O	REAL300001997424	1	34	-2.0	-105.08	312.44	1.29	-103.79
O=C([O-])C(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1F	REAL300001997498	0	34	-2.0	-113.77	309.12	4.54	-109.23
O=C([O-])C(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1F	REAL300001997498	1	34	-2.0	-113.81	309.18	4.56	-109.25
O=C([O-])C(NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=CC=CC=C1F	REAL300001997528	0	31	-2.0	-106.31	300.21	6.14	-100.17
CCOC1=CC(C(=O)NC(C(=O)[O-])C2=CC=CC=C2F)=CC(Cl)=C1[O-]	REAL300001997532	1	38	-2.0	-110.60	351.28	7.18	-103.42
COC1=CC=C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3=CC=CC=C3F)=N2)C=C1	REAL300001997538	0	42	-2.0	-141.32	374.25	6.23	-135.09
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C(=O)[O-])C2=CC=CC=C2F)=CO1	REAL300001997553	1	35	-2.0	-111.16	335.95	1.44	-109.72
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=C1F	REAL300001997690	0	34	-2.0	-97.90	319.74	4.36	-93.54
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=C1F	REAL300001997690	1	34	-2.0	-97.86	319.81	4.36	-93.50
COCC1=NC=C(C(=O)NC(C(=O)[O-])C2=CC=CC=C2F)C(=O)[N-]1	REAL300001997948	1	36	-2.0	-119.22	325.23	2.81	-116.41
O=C([O-])C(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=CC=CC=C1F	REAL300001998230	0	31	-2.0	-124.76	314.58	8.28	-116.48
CC1=CC(F)=CC=C1C(F)(F)C(=O)[N-]C(C(=O)[O-])C1=CC=CC=C1F	REAL300001998315	1	36	-2.0	-134.87	326.64	7.54	-127.33
CC1=CC=C(F)C=C1C(F)(F)C(=O)[N-]C(C(=O)[O-])C1=CC=CC=C1F	REAL300001998648	1	36	-2.0	-139.68	328.13	8.14	-131.54
O=C([O-])C[C@H](NC(=O)C1=CC=C([O-])C(F)=C1)C1=CC=C(Br)C=C1	REAL300001999575	1	34	-2.0	-97.08	328.88	7.21	-89.87
O=C([O-])C[C@H](NC(=O)CCC1=N[N-]N=N1)C1=CC=C(Br)C=C1	REAL300001999615	0	34	-2.0	-91.20	319.40	4.63	-86.57
O=C([O-])C[C@H](NC(=O)CCC1=NN=N[N-]1)C1=CC=C(Br)C=C1	REAL300001999615	1	34	-2.0	-91.16	319.46	4.64	-86.52
O=C([O-])C[C@H](NC(=O)C1=CN=CC([O-])=C1)C1=CC=C(Br)C=C1	REAL300001999666	1	33	-2.0	-99.67	317.79	5.37	-94.30
O=C([O-])C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(Br)C=C1	REAL300001999869	0	37	-2.0	-101.65	340.92	5.41	-96.24
O=C([O-])C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(Br)C=C1	REAL300001999869	1	37	-2.0	-101.63	340.98	5.42	-96.21
O=C([O-])C[C@H](NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=CC=C(Br)C=C1	REAL300001999883	0	34	-2.0	-94.29	338.68	7.69	-86.60
O=C([O-])C[C@H](NC(=O)C1=C[N-]N=CC1=O)C1=CC=C(Br)C=C1	REAL300002000046	0	32	-2.0	-98.34	310.04	5.80	-92.54
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@@H](CC(=O)[O-])C2=CC=C(Cl)C=C2)O1	REAL300002001219	1	38	-2.0	-87.79	364.03	2.21	-85.58
O=C([O-])C[C@H](NC(=O)C1=CC=C([O-])C(F)=C1)C1=CC=C(Cl)C=C1	REAL300002002534	1	34	-2.0	-97.16	324.32	7.11	-90.05
O=C([O-])C[C@H](NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1=CC=C(Cl)C=C1	REAL300002002546	1	37	-2.0	-109.81	354.73	9.66	-100.15
O=C([O-])C[C@H](NC(=O)CCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL300002002585	0	34	-2.0	-91.17	314.83	4.52	-86.65
O=C([O-])C[C@H](NC(=O)CCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL300002002585	1	34	-2.0	-91.18	314.89	4.54	-86.64
CS(=O)(=O)[N-]C1=CC=C(C(=O)N[C@@H](CC(=O)[O-])C2=CC=C(Cl)C=C2)C=N1	REAL300002002641	0	40	-2.0	-95.51	372.65	4.56	-90.95
O=C([O-])C[C@H](NC(=O)C1=CN=CC([O-])=C1)C1=CC=C(Cl)C=C1	REAL300002002688	1	33	-2.0	-99.73	313.23	5.26	-94.47
O=C([O-])C[C@H](NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=CC=C(Cl)C=C1	REAL300002002792	1	39	-2.0	-121.29	351.37	8.58	-112.71
O=C([O-])C[C@H](NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=CC=C(Cl)C=C1	REAL300002003022	0	34	-2.0	-91.25	333.24	6.99	-84.26
COC1=C(C(=O)N[C@@H](CC(=O)[O-])C2=CC=C(Cl)C=C2)NC(=O)[N-]C1=O	REAL300002003035	1	37	-2.0	-102.39	338.10	2.70	-99.69
O=C([O-])C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL300002003106	0	37	-2.0	-101.81	336.35	5.31	-96.50
O=C([O-])C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL300002003106	1	37	-2.0	-101.79	336.41	5.32	-96.47
O=C([O-])C[C@H](NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=CC=C(Cl)C=C1	REAL300002003135	0	34	-2.0	-94.34	334.12	7.59	-86.75
CCOC1=CC(C(=O)N[C@@H](CC(=O)[O-])C2=CC=C(Cl)C=C2)=CC(Cl)=C1[O-]	REAL300002003138	1	41	-2.0	-94.99	378.08	7.96	-87.03
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@@H](CC(=O)[O-])C2=CC=C(Cl)C=C2)=CO1	REAL300002003159	1	38	-2.0	-98.66	363.01	2.17	-96.49
O=C([O-])C[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=C(Cl)C=C1	REAL300002003284	0	37	-2.0	-84.56	346.77	5.06	-79.50
O=C([O-])C[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=C(Cl)C=C1	REAL300002003284	1	37	-2.0	-84.58	346.83	5.06	-79.52
O=C([O-])C[C@H](NC(=O)C1=C[N-]N=CC1=O)C1=CC=C(Cl)C=C1	REAL300002003487	0	32	-2.0	-98.38	305.47	5.69	-92.69
COCC1=NC=C(C(=O)N[C@@H](CC(=O)[O-])C2=CC=C(Cl)C=C2)C(=O)[N-]1	REAL300002003509	1	39	-2.0	-110.19	350.56	4.67	-105.52
O=C([O-])C[C@H](NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=CC=C(Cl)C=C1	REAL300002003763	0	34	-2.0	-106.37	348.80	9.70	-96.67
O=C([O-])C1=CC(NC(=O)CCC2=N[N-]N=N2)=CC(I)=C1	REAL300002004773	0	28	-2.0	-98.04	288.05	4.23	-93.81
O=C([O-])C1=CC(NC(=O)CCC2=NN=N[N-]2)=CC(I)=C1	REAL300002004773	1	28	-2.0	-98.03	288.11	4.24	-93.79
O=C([O-])C1=CC(I)=CC(NC(=O)C2=CN=CC([O-])=C2)=C1	REAL300002004805	1	27	-2.0	-105.27	279.15	4.29	-100.98
O=C([O-])C1=CC(I)=CC(NC(=O)C2=C[N-]N=CC2=O)=C1	REAL300002004995	0	26	-2.0	-90.98	271.65	4.71	-86.27
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)C=C1	REAL300002005972	1	46	-2.0	-118.10	404.86	11.19	-106.91
CC1=CC=C(C(NC(=O)C2=CC=C(S(=O)(=O)[N-]C(C)(C)C)O2)C(=O)[O-])C=C1	REAL300002006325	1	47	-2.0	-102.64	408.19	4.49	-98.15
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)O1	REAL300002006326	1	38	-2.0	-101.73	354.06	1.98	-99.75
CC1=CC=C(C(NC(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)C(=O)[O-])C=C1	REAL300002006810	1	45	-2.0	-120.54	395.83	6.40	-114.14
CC1=CC=C(C(NC(=O)CC2=C(C)N=C(C3=CC=CN=C3)[N-]C2=O)C(=O)[O-])C=C1	REAL300002007004	1	47	-2.0	-131.67	406.67	6.60	-125.07
CC1=CC=C(C(NC(=O)C2=CC=C([O-])C(F)=C2)C(=O)[O-])C=C1	REAL300002007900	1	34	-2.0	-104.52	307.19	6.32	-98.20
CC1=CC=C(C(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C(=O)[O-])C=C1	REAL300002007909	1	37	-2.0	-123.79	337.71	8.76	-115.03
CC1=CC=C(C(NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C(=O)[O-])C=C1	REAL300002007994	0	40	-2.0	-108.66	362.02	4.40	-104.26
CC1=CC=C(C(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)C(=O)[O-])C=C1	REAL300002008019	1	39	-2.0	-118.74	339.52	5.84	-112.90
CC1=CC=C(C(NC(=O)C2=NN(C3=CC=CC(C(C)C)=C3)C=C2[O-])C(=O)[O-])C=C1	REAL300002008069	0	50	-2.0	-139.85	422.23	9.36	-130.49
CC1=CC=C(C(NC(=O)C2=NN(C3=CC=C(C(C)C)C=C3)C=C2[O-])C(=O)[O-])C=C1	REAL300002008070	0	50	-2.0	-138.16	422.16	9.38	-128.78
CC1=CC=C(C(NC(=O)C2=NN(C3=CC=C(F)C=C3C)C=C2[O-])C(=O)[O-])C=C1	REAL300002008135	0	44	-2.0	-134.19	389.71	8.48	-125.71
CC1=CC=C(C(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C(=O)[O-])C=C1	REAL300002008140	0	41	-2.0	-135.21	367.77	7.57	-127.64
CC1=CC=C(C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C(=O)[O-])C=C1	REAL300002008167	1	39	-2.0	-141.34	341.53	8.39	-132.95
CC1=CC=C(C(NC(=O)C2=NN(C3=CC(C)=CC=C3F)C=C2[O-])C(=O)[O-])C=C1	REAL300002008303	0	44	-2.0	-142.80	386.11	8.15	-134.65
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)=N1	REAL300002008304	0	47	-2.0	-141.18	395.64	9.29	-131.89
CC1=CC=C(C(NC(=O)CC2=C(C)N=C(C3=CC=NC=C3)[N-]C2=O)C(=O)[O-])C=C1	REAL300002008361	1	47	-2.0	-130.36	405.67	6.61	-123.75
CC1=CC=C(C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C(=O)[O-])C=C1	REAL300002008414	0	34	-2.0	-101.57	323.18	6.88	-94.69
COC1=C(C(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)NC(=O)[N-]C1=O	REAL300002008424	1	37	-2.0	-102.99	329.34	1.93	-101.06
CC1=CC=C(C(NC(=O)CCCC2=N[N-]N=N2)C(=O)[O-])C=C1	REAL300002008498	0	37	-2.0	-108.93	326.39	5.08	-103.85
CC1=CC=C(C(NC(=O)CCCC2=NN=N[N-]2)C(=O)[O-])C=C1	REAL300002008498	1	37	-2.0	-108.90	326.44	5.09	-103.81
CC1=CC=C(C(NC(=O)C2=CC=C([O-])C(Cl)=C2)C(=O)[O-])C=C1	REAL300002008527	0	34	-2.0	-102.57	317.23	6.75	-95.82
CCOC1=CC(C(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)=CC(Cl)=C1[O-]	REAL300002008530	1	41	-2.0	-106.92	368.02	7.85	-99.07
COC1=CC=C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3=CC=C(C)C=C3)=N2)C=C1	REAL300002008536	0	45	-2.0	-137.69	390.84	6.80	-130.89
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)=CO1	REAL300002008551	1	38	-2.0	-106.14	353.18	1.98	-104.16
CC1=CC=C(C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(=O)[O-])C=C1	REAL300002008687	0	37	-2.0	-95.06	336.33	4.91	-90.15
CC1=CC=C(C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(=O)[O-])C=C1	REAL300002008687	1	37	-2.0	-95.04	336.40	4.92	-90.12
COCC1=NC=C(C(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)C(=O)[N-]1	REAL300002008942	1	39	-2.0	-117.57	342.22	3.38	-114.19
CC1=CC=C(C(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C(=O)[O-])C=C1	REAL300002008984	1	42	-2.0	-118.97	356.17	6.30	-112.67
CC1=CC=C(C(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C(=O)[O-])C=C1	REAL300002009225	0	34	-2.0	-119.93	331.79	8.80	-111.13
COCC(C)(NC(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O)C(=O)[O-]	REAL300002009953	1	51	-2.0	-111.63	405.66	5.26	-106.37
COCC(C)(NC(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1)C(=O)[O-]	REAL300002010478	1	43	-2.0	-135.29	369.87	8.24	-127.05
COCC(C)(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300002010625	1	45	-2.0	-111.56	386.97	5.31	-106.25
COCC(C)(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300002010626	1	45	-2.0	-119.79	387.15	5.31	-114.48
COCC(C)(NC(=O)C1=CC=C([N-]S(=O)(=O)C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300002010637	0	41	-2.0	-96.10	368.40	3.49	-92.61
COCC(C)(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300002010819	0	42	-2.0	-115.59	378.90	4.31	-111.28
COCC(C)(NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300002010837	1	44	-2.0	-99.79	372.47	1.68	-98.11
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C)(COC)C(=O)[O-])O1	REAL300002010838	1	35	-2.0	-98.65	318.87	-0.85	-99.50
COCC(C)(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C(=O)[O-]	REAL300002011063	0	42	-2.0	-117.87	379.08	4.32	-113.55
COCC(C)(NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1)C(=O)[O-]	REAL300002011319	1	42	-2.0	-118.56	360.62	3.49	-115.07
COCC(C)(NC(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O)C(=O)[O-]	REAL300002011498	1	44	-2.0	-122.29	371.47	3.70	-118.59
COCC(C)(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300002011627	1	45	-2.0	-105.94	387.14	5.31	-100.63
COCC(C)(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300002012173	1	34	-2.0	-126.57	302.55	5.44	-121.13
COCC(C)(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300002012242	0	37	-2.0	-108.03	327.46	1.47	-106.56
COCC(C)(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300002012288	1	44	-2.0	-102.05	382.18	3.53	-98.52
COCC(C)(NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-])C(=O)[O-]	REAL300002012302	0	47	-2.0	-139.56	387.06	6.52	-133.04
COCC(C)(NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])C(=O)[O-]	REAL300002012303	0	47	-2.0	-138.23	387.01	6.52	-131.71
COCC(C)(NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-])C(=O)[O-]	REAL300002012349	0	41	-2.0	-134.95	354.53	5.62	-129.33
COCC(C)(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300002012353	0	38	-2.0	-136.11	333.21	4.67	-131.44
COCC(C)(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(=O)[O-]	REAL300002012369	1	36	-2.0	-140.16	306.37	5.06	-135.10
COCC(C)(NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300002012385	0	38	-2.0	-103.50	348.69	2.73	-100.77
COCC(C)(NC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300002012419	0	30	-2.0	-106.58	287.93	2.46	-104.12
COCC(C)(NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-])C(=O)[O-]	REAL300002012454	0	41	-2.0	-143.26	351.55	5.25	-138.01
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(C)(COC)C(=O)[O-])=N1	REAL300002012455	0	44	-2.0	-141.72	368.06	6.34	-135.38
COCC(C)(NC(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O)C(=O)[O-]	REAL300002012483	1	44	-2.0	-120.09	370.75	3.65	-116.44
COCC(C)(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300002012510	0	31	-2.0	-102.20	288.23	3.91	-98.29
COCC(C)(NC(=O)C1=C(OC)C(=O)[N-]C(=O)N1)C(=O)[O-]	REAL300002012513	1	34	-2.0	-102.66	294.38	-1.47	-104.13
CCOC1=CC(C(=O)NC(C)(COC)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300002012573	1	38	-2.0	-107.43	333.08	4.89	-102.54
COCC(C)(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300002012576	0	41	-2.0	-142.63	356.70	6.04	-136.59
COCC(C)(NC(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-])C(=O)[O-]	REAL300002012581	0	42	-2.0	-137.90	356.29	3.90	-134.00
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C)(COC)C(=O)[O-])=CO1	REAL300002012591	1	35	-2.0	-110.30	318.00	-0.89	-111.19
COCC(C)(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300002012685	0	34	-2.0	-94.53	301.77	2.01	-92.52
COCC(C)(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300002012685	1	34	-2.0	-94.53	301.84	2.01	-92.52
COCC(C)(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(=O)[O-]	REAL300002012897	1	39	-2.0	-112.12	320.99	3.45	-108.67
COCC(C)(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300002013064	0	31	-2.0	-121.62	296.62	5.48	-116.14
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(OCC(=O)[O-])C(Cl)=C2)O1	REAL300002014354	1	36	-2.0	-87.82	356.52	1.64	-86.18
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300002014532	0	39	-2.0	-101.83	363.81	4.95	-96.88
COC1=CC=C(C(=O)NC2=CC=C(OCC(=O)[O-])C(Cl)=C2)C([O-])=C1	REAL300002015435	1	36	-2.0	-111.36	330.66	6.63	-104.73
O=C([O-])COC1=CC=C(NC(=O)C2=CC=C([O-])C(F)=C2)C=C1Cl	REAL300002015947	1	32	-2.0	-92.79	309.90	5.87	-86.92
O=C([O-])COC1=CC=C(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C=C1Cl	REAL300002015961	1	35	-2.0	-102.97	340.22	8.32	-94.65
O=C([O-])COC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1Cl	REAL300002016018	0	32	-2.0	-88.38	307.07	3.95	-84.43
O=C([O-])COC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1Cl	REAL300002016018	1	32	-2.0	-88.38	307.13	3.97	-84.41
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=C(OCC(=O)[O-])C(Cl)=C2)C=N1	REAL300002016089	0	38	-2.0	-93.74	365.14	3.97	-89.77
O=C([O-])COC1=CC=C(NC(=O)C2=CN=CC([O-])=C2)C=C1Cl	REAL300002016150	1	31	-2.0	-92.95	298.46	4.01	-88.94
O=C([O-])COC1=CC=C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C=C1Cl	REAL300002016292	0	37	-2.0	-109.47	343.75	7.95	-101.52
O=C([O-])COC1=CC=C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C=C1Cl	REAL300002016568	0	32	-2.0	-87.79	325.90	6.42	-81.37
O=C([O-])COC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1Cl	REAL300002016679	0	35	-2.0	-97.79	328.57	4.74	-93.05
O=C([O-])COC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1Cl	REAL300002016679	1	35	-2.0	-97.85	328.63	4.75	-93.10
O=C([O-])COC1=CC=C(NC(=O)C2=CC=C([O-])C(Cl)=C2)C=C1Cl	REAL300002016712	0	32	-2.0	-89.64	319.70	6.36	-83.28
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=C(OCC(=O)[O-])C(Cl)=C2)=CO1	REAL300002016745	1	36	-2.0	-99.32	355.69	1.63	-97.69
O=C([O-])COC1=CC=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)C=C1Cl	REAL300002016828	0	40	-2.0	-92.31	367.34	10.30	-82.01
O=C([O-])COC1=CC=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)C=C1Cl	REAL300002016828	1	40	-2.0	-92.30	367.39	10.32	-81.98
O=C([O-])COC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1Cl	REAL300002016893	0	35	-2.0	-85.09	339.43	4.51	-80.58
O=C([O-])COC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1Cl	REAL300002016893	1	35	-2.0	-84.90	339.22	4.53	-80.37
O=C([O-])COC1=CC=C(NC(=O)C2=C[N-]N=CC2=O)C=C1Cl	REAL300002017145	0	30	-2.0	-79.44	290.96	4.43	-75.01
COCC1=NC=C(C(=O)NC2=CC=C(OCC(=O)[O-])C(Cl)=C2)C(=O)[N-]1	REAL300002017176	1	37	-2.0	-86.44	344.73	3.03	-83.41
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COC1=CC=C(C(CC(=O)[O-])NC(=O)C2=CC=C([O-])C(F)=C2)C(OC)=C1	REAL300002019441	1	42	-2.0	-104.66	364.76	5.43	-99.23
COC1=CC=C(C(CC(=O)[O-])NC(=O)CCC2=N[N-]N=N2)C(OC)=C1	REAL300002019492	0	42	-2.0	-100.58	362.05	3.63	-96.95
COC1=CC=C(C(CC(=O)[O-])NC(=O)CCC2=NN=N[N-]2)C(OC)=C1	REAL300002019492	1	42	-2.0	-100.59	362.11	3.64	-96.95
COC1=CC=C(C(CC(=O)[O-])NC(=O)C2=CN=C(C3CC3)[N-]C2=O)C(OC)=C1	REAL300002019552	1	47	-2.0	-118.78	389.31	5.32	-113.46
COC1=CC=C(C(CC(=O)[O-])NC(=O)C2=CN=CC([O-])=C2)C(OC)=C1	REAL300002019565	1	41	-2.0	-101.87	343.17	3.19	-98.68
COC1=CC=C(C(CC(=O)[O-])NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C(OC)=C1	REAL300002019635	1	47	-2.0	-135.57	398.88	7.62	-127.95
COC1=CC=C(C(CC(=O)[O-])NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C(OC)=C1	REAL300002019817	0	42	-2.0	-101.93	380.71	6.05	-95.88
COC1=CC=C(C(CC(=O)[O-])NC(=O)C2=C(OC)C(=O)[N-]C(=O)N2)C(OC)=C1	REAL300002019829	1	45	-2.0	-101.89	386.62	1.16	-100.73
COC1=CC=C(C(CC(=O)[O-])NC(=O)CCCC2=N[N-]N=N2)C(OC)=C1	REAL300002019884	0	45	-2.0	-105.25	383.77	4.26	-100.99
COC1=CC=C(C(CC(=O)[O-])NC(=O)CCCC2=NN=N[N-]2)C(OC)=C1	REAL300002019884	1	45	-2.0	-105.19	383.82	4.27	-100.92
COC1=CC=C(C(CC(=O)[O-])NC(=O)C2=CC=C([O-])C(Cl)=C2)C(OC)=C1	REAL300002019906	0	42	-2.0	-101.92	374.56	5.92	-96.00
COC1=CC=C(C(CC(=O)[O-])NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(OC)=C1	REAL300002020006	0	45	-2.0	-96.16	394.15	4.22	-91.94
COC1=CC=C(C(CC(=O)[O-])NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(OC)=C1	REAL300002020006	1	45	-2.0	-96.18	394.22	4.22	-91.96
COC1=CC=C(C(CC(=O)[O-])NC(=O)C2=C[N-]N=CC2=O)C(OC)=C1	REAL300002020146	0	40	-2.0	-107.30	345.64	4.14	-103.16
COCC1=NC=C(C(=O)NC(CC(=O)[O-])C2=CC=C(OC)C=C2OC)C(=O)[N-]1	REAL300002020161	1	47	-2.0	-118.58	399.58	2.64	-115.94
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC(=O)[O-])C2=CC=CC=C2C)O1	REAL300002021767	1	41	-2.0	-100.05	370.18	3.15	-96.90
CC1=CC=CC=C1C(CC(=O)[O-])NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1	REAL300002022219	1	48	-2.0	-102.18	401.95	7.20	-94.98
CC1=CC=CC=C1C(CC(=O)[O-])NC(=O)C1=CC=C([O-])C(F)=C1	REAL300002023301	1	37	-2.0	-101.24	323.81	7.30	-93.94
CC1=CC=CC=C1C(CC(=O)[O-])NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300002023312	1	40	-2.0	-113.99	352.69	9.90	-104.09
CC1=CC=CC=C1C(CC(=O)[O-])NC(=O)CCC1=N[N-]N=N1	REAL300002023346	0	37	-2.0	-96.67	321.46	5.36	-91.31
CC1=CC=CC=C1C(CC(=O)[O-])NC(=O)CCC1=NN=N[N-]1	REAL300002023346	1	37	-2.0	-96.63	321.52	5.38	-91.25
CC1=CC=CC=C1C(CC(=O)[O-])NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300002023417	0	43	-2.0	-106.40	379.05	5.38	-101.02
CC1=CC=CC=C1C(CC(=O)[O-])NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300002023442	1	42	-2.0	-119.36	346.28	7.17	-112.19
CC1=CC=CC=C1C(CC(=O)[O-])NC(=O)C1=CN=CC([O-])=C1	REAL300002023479	1	36	-2.0	-102.46	312.66	5.40	-97.06
CC1=CC=CC=C1C(CC(=O)[O-])NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-]	REAL300002023560	0	47	-2.0	-123.61	395.28	9.27	-114.34
CC1=CC=CC=C1C(CC(=O)[O-])NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300002023565	0	44	-2.0	-124.35	374.58	8.31	-116.04
CC1=CC=CC=C1C(CC(=O)[O-])NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300002023596	1	42	-2.0	-131.25	356.49	9.52	-121.73
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(CC(=O)[O-])C3=CC=CC=C3C)=N2)=C1	REAL300002023734	0	47	-2.0	-133.93	402.87	9.25	-124.68
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CC(=O)[O-])C2=CC=CC=C2C)=N1	REAL300002023735	0	50	-2.0	-129.51	402.42	10.03	-119.48
CC1=CC=CC=C1C(CC(=O)[O-])NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300002023846	0	37	-2.0	-97.27	339.81	7.85	-89.42
COC1=C(C(=O)NC(CC(=O)[O-])C2=CC=CC=C2C)NC(=O)[N-]C1=O	REAL300002023857	1	40	-2.0	-101.58	344.38	2.95	-98.63
CC1=CC=CC=C1C(CC(=O)[O-])NC(=O)CCCC1=N[N-]N=N1	REAL300002023937	0	40	-2.0	-100.81	342.96	6.14	-94.67
CC1=CC=CC=C1C(CC(=O)[O-])NC(=O)CCCC1=NN=N[N-]1	REAL300002023937	1	40	-2.0	-100.80	343.02	6.16	-94.64
CC1=CC=CC=C1C(CC(=O)[O-])NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300002023969	0	37	-2.0	-98.57	333.61	7.78	-90.79
CCOC1=CC(C(=O)NC(CC(=O)[O-])C2=CC=CC=C2C)=CC(Cl)=C1[O-]	REAL300002023973	1	44	-2.0	-103.14	384.66	8.82	-94.32
COC1=CC=C(N2C=C([O-])C(C(=O)NC(CC(=O)[O-])C3=CC=CC=C3C)=N2)C=C1	REAL300002023979	0	48	-2.0	-129.43	407.60	7.90	-121.53
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CC(=O)[O-])C2=CC=CC=C2C)=CO1	REAL300002023995	1	41	-2.0	-96.62	357.84	2.61	-94.01
CC1=CC=CC=C1C(CC(=O)[O-])NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300002024135	0	40	-2.0	-92.09	353.08	6.02	-86.07
CC1=CC=CC=C1C(CC(=O)[O-])NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300002024135	1	40	-2.0	-92.09	353.15	6.04	-86.05
CC1=CC=CC=C1C(CC(=O)[O-])NC(=O)C1=C[N-]N=CC1=O	REAL300002024373	0	35	-2.0	-104.69	303.37	5.94	-98.75
COCC1=NC=C(C(=O)NC(CC(=O)[O-])C2=CC=CC=C2C)C(=O)[N-]1	REAL300002024397	1	42	-2.0	-117.90	348.37	4.76	-113.14
CC1=CC=CC=C1C(CC(=O)[O-])NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300002024440	1	45	-2.0	-116.94	362.76	7.66	-109.28
CC1=CC=CC=C1C(CC(=O)[O-])NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300002024687	0	37	-2.0	-109.55	348.17	9.85	-99.70
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@@H](CC(=O)[O-])C2=CC=CC=C2C)O1	REAL300002026284	1	41	-2.0	-100.04	369.76	3.17	-96.87
CC1=CC=CC=C1[C@H](CC(=O)[O-])NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1	REAL300002026736	1	48	-2.0	-111.45	411.48	7.56	-103.89
CC1=CC=CC=C1[C@H](CC(=O)[O-])NC(=O)C1=CC=C([O-])C(F)=C1	REAL300002027818	1	37	-2.0	-100.73	323.55	7.39	-93.34
CC1=CC=CC=C1[C@H](CC(=O)[O-])NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300002027829	1	40	-2.0	-114.85	353.89	9.95	-104.90
CC1=CC=CC=C1[C@H](CC(=O)[O-])NC(=O)CCC1=N[N-]N=N1	REAL300002027863	0	37	-2.0	-95.93	320.99	5.45	-90.48
CC1=CC=CC=C1[C@H](CC(=O)[O-])NC(=O)CCC1=NN=N[N-]1	REAL300002027863	1	37	-2.0	-95.93	321.05	5.47	-90.46
CC1=CC=CC=C1[C@H](CC(=O)[O-])NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300002027934	0	43	-2.0	-105.41	378.78	5.48	-99.93
CC1=CC=CC=C1[C@H](CC(=O)[O-])NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300002027959	1	42	-2.0	-115.74	356.67	6.88	-108.86
CC1=CC=CC=C1[C@H](CC(=O)[O-])NC(=O)C1=CN=CC([O-])=C1	REAL300002027996	1	36	-2.0	-102.46	312.66	5.39	-97.07
CC1=CC=CC=C1[C@H](CC(=O)[O-])NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-]	REAL300002028077	0	47	-2.0	-125.86	401.00	9.48	-116.38
CC1=CC=CC=C1[C@H](CC(=O)[O-])NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300002028082	0	44	-2.0	-127.01	385.01	8.60	-118.41
CC1=CC=CC=C1[C@H](CC(=O)[O-])NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300002028113	1	42	-2.0	-130.98	357.26	9.56	-121.42
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@@H](CC(=O)[O-])C3=CC=CC=C3C)=N2)=C1	REAL300002028251	0	47	-2.0	-134.97	403.23	9.18	-125.79
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@@H](CC(=O)[O-])C2=CC=CC=C2C)=N1	REAL300002028252	0	50	-2.0	-132.92	412.11	10.49	-122.43
CC1=CC=CC=C1[C@H](CC(=O)[O-])NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300002028363	0	37	-2.0	-97.50	339.87	7.85	-89.65
COC1=C(C(=O)N[C@@H](CC(=O)[O-])C2=CC=CC=C2C)NC(=O)[N-]C1=O	REAL300002028374	1	40	-2.0	-99.83	344.85	3.04	-96.79
CC1=CC=CC=C1[C@H](CC(=O)[O-])NC(=O)CCCC1=N[N-]N=N1	REAL300002028454	0	40	-2.0	-100.51	341.88	6.07	-94.44
CC1=CC=CC=C1[C@H](CC(=O)[O-])NC(=O)CCCC1=NN=N[N-]1	REAL300002028454	1	40	-2.0	-100.51	341.94	6.09	-94.42
CC1=CC=CC=C1[C@H](CC(=O)[O-])NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300002028486	0	37	-2.0	-98.17	333.34	7.88	-90.29
CCOC1=CC(C(=O)N[C@@H](CC(=O)[O-])C2=CC=CC=C2C)=CC(Cl)=C1[O-]	REAL300002028490	1	44	-2.0	-102.68	384.46	8.93	-93.75
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@@H](CC(=O)[O-])C3=CC=CC=C3C)=N2)C=C1	REAL300002028496	0	48	-2.0	-130.38	407.96	7.83	-122.55
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@@H](CC(=O)[O-])C2=CC=CC=C2C)=CO1	REAL300002028512	1	41	-2.0	-99.69	369.33	3.13	-96.56
CC1=CC=CC=C1[C@H](CC(=O)[O-])NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300002028652	0	40	-2.0	-92.15	352.68	6.04	-86.11
CC1=CC=CC=C1[C@H](CC(=O)[O-])NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300002028652	1	40	-2.0	-92.12	352.73	6.05	-86.07
CC1=CC=CC=C1[C@H](CC(=O)[O-])NC(=O)C1=C[N-]N=CC1=O	REAL300002028890	0	35	-2.0	-103.51	304.62	5.94	-97.57
COCC1=NC=C(C(=O)N[C@@H](CC(=O)[O-])C2=CC=CC=C2C)C(=O)[N-]1	REAL300002028914	1	42	-2.0	-114.80	358.44	4.52	-110.28
CC1=CC=CC=C1[C@H](CC(=O)[O-])NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300002028957	1	45	-2.0	-115.99	372.43	7.44	-108.55
CC1=CC=CC=C1[C@H](CC(=O)[O-])NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300002029204	0	37	-2.0	-111.50	348.17	9.91	-101.59
COCC(C)(CC(=O)[O-])NC(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O	REAL300002029966	1	54	-2.0	-102.12	421.95	5.04	-97.08
COCC(C)(CC(=O)[O-])NC(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1	REAL300002030518	1	46	-2.0	-105.91	386.20	8.00	-97.91
COCC(C)(CC(=O)[O-])NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300002030880	1	47	-2.0	-98.13	388.76	1.42	-96.71
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C)(COC)CC(=O)[O-])O1	REAL300002030881	1	38	-2.0	-96.91	335.14	-1.11	-98.02
COCC(C)(CC(=O)[O-])NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1	REAL300002031376	1	45	-2.0	-105.18	377.08	3.44	-101.74
COCC(C)(CC(=O)[O-])NC(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O	REAL300002031568	1	47	-2.0	-124.41	387.76	3.48	-120.93
COCC(C)(CC(=O)[O-])NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300002032374	1	37	-2.0	-112.68	319.00	5.65	-107.03
COCC(C)(CC(=O)[O-])NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300002032450	0	40	-2.0	-102.83	343.74	1.23	-101.60
COCC(C)(CC(=O)[O-])NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300002032468	1	39	-2.0	-109.67	321.32	2.67	-107.00
COCC(C)(CC(=O)[O-])NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-]	REAL300002032517	0	50	-2.0	-128.62	403.34	6.25	-122.37
COCC(C)(CC(=O)[O-])NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-]	REAL300002032518	0	50	-2.0	-128.13	403.44	6.42	-121.71
COCC(C)(CC(=O)[O-])NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-]	REAL300002032573	0	44	-2.0	-124.24	370.97	5.51	-118.73
COCC(C)(CC(=O)[O-])NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300002032578	0	41	-2.0	-123.78	349.50	4.40	-119.38
COCC(C)(CC(=O)[O-])NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300002032598	1	39	-2.0	-128.16	322.81	5.29	-122.87
COCC(C)(CC(=O)[O-])NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300002032616	0	41	-2.0	-93.63	365.13	2.64	-90.99
COCC(C)(CC(=O)[O-])NC(=O)C1=CN=C(I)C([O-])=C1	REAL300002032657	0	33	-2.0	-97.92	304.38	2.38	-95.54
COCC(C)(CC(=O)[O-])NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-]	REAL300002032708	0	44	-2.0	-132.97	367.99	5.14	-127.83
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(C)(COC)CC(=O)[O-])=N1	REAL300002032709	0	47	-2.0	-131.62	384.51	6.22	-125.40
COCC(C)(CC(=O)[O-])NC(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O	REAL300002032752	1	47	-2.0	-123.17	387.03	3.43	-119.74
COCC(C)(CC(=O)[O-])NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300002032791	0	34	-2.0	-95.95	304.68	3.82	-92.13
COCC(C)(CC(=O)[O-])NC(=O)C1=C(OC)C(=O)[N-]C(=O)N1	REAL300002032797	1	37	-2.0	-97.62	310.82	-1.24	-98.86
COCC(C)(CC(=O)[O-])NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300002032872	0	34	-2.0	-96.36	298.31	3.61	-92.75
CCOC1=CC(C(=O)NC(C)(COC)CC(=O)[O-])=CC(Cl)=C1[O-]	REAL300002032876	1	41	-2.0	-101.34	349.53	4.80	-96.54
COCC(C)(CC(=O)[O-])NC(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-]	REAL300002032883	0	45	-2.0	-127.65	372.72	3.79	-123.86
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C)(COC)CC(=O)[O-])=CO1	REAL300002032895	1	38	-2.0	-100.25	334.44	-0.96	-101.21
COCC(C)(CC(=O)[O-])NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300002033006	0	37	-2.0	-90.62	318.21	1.91	-88.71
COCC(C)(CC(=O)[O-])NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300002033006	1	37	-2.0	-90.62	318.29	1.92	-88.70
COCC1=NC=C(C(=O)NC(C)(COC)CC(=O)[O-])C(=O)[N-]1	REAL300002033225	1	39	-2.0	-108.01	323.42	0.26	-107.75
COCC(C)(CC(=O)[O-])NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300002033261	1	42	-2.0	-108.84	337.34	3.16	-105.68
COCC(C)(CC(=O)[O-])NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300002033460	0	34	-2.0	-107.71	312.91	5.54	-102.17
CCC(CC)(CC(=O)[O-])NC(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O	REAL300002034111	1	56	-2.0	-96.86	420.40	7.08	-89.78
CCC(CC)(CC(=O)[O-])NC(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1	REAL300002034662	1	48	-2.0	-104.92	384.04	10.01	-94.91
CCC(CC)(CC(=O)[O-])NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300002035024	1	49	-2.0	-85.77	387.22	3.46	-82.31
CCC(CC)(CC(=O)[O-])NC(=O)C1=CC=C(S(=O)(=O)[N-]C)O1	REAL300002035025	1	40	-2.0	-85.21	333.60	0.92	-84.29
CCC(CC)(CC(=O)[O-])NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1	REAL300002035523	1	47	-2.0	-99.29	375.36	5.33	-93.96
CCC(CC)(CC(=O)[O-])NC(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O	REAL300002035715	1	49	-2.0	-104.58	386.22	5.53	-99.05
CCC(CC)(CC(=O)[O-])NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300002036504	1	39	-2.0	-99.06	317.27	7.55	-91.51
CCC(CC)(CC(=O)[O-])NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300002036581	0	42	-2.0	-91.03	342.21	3.27	-87.76
CCC(CC)(CC(=O)[O-])NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300002036599	1	41	-2.0	-92.48	319.76	4.72	-87.76
CCC(CC)(CC(=O)[O-])NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-]	REAL300002036647	0	52	-2.0	-111.47	401.81	8.30	-103.17
CCC(CC)(CC(=O)[O-])NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-]	REAL300002036648	0	52	-2.0	-110.20	401.74	8.29	-101.91
CCC(CC)(CC(=O)[O-])NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-]	REAL300002036701	0	46	-2.0	-107.16	369.27	7.39	-99.77
CCC(CC)(CC(=O)[O-])NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300002036706	0	43	-2.0	-108.24	347.95	6.44	-101.80
CCC(CC)(CC(=O)[O-])NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300002036726	1	41	-2.0	-109.83	321.11	7.17	-102.66
CCC(CC)(CC(=O)[O-])NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300002036744	0	43	-2.0	-83.33	363.43	4.54	-78.79
CCC(CC)(CC(=O)[O-])NC(=O)C1=CN=C(I)C([O-])=C1	REAL300002036784	0	35	-2.0	-86.27	302.67	4.28	-81.99
CCC(CC)(CC(=O)[O-])NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-]	REAL300002036834	0	46	-2.0	-114.67	366.30	7.03	-107.64
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CC)(CC)CC(=O)[O-])=N1	REAL300002036835	0	49	-2.0	-113.02	382.80	8.11	-104.91
CCC(CC)(CC(=O)[O-])NC(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O	REAL300002036877	1	49	-2.0	-103.09	385.49	5.47	-97.62
CCC(CC)(CC(=O)[O-])NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300002036914	0	36	-2.0	-85.70	302.98	5.73	-79.97
CCC(CC)(CC(=O)[O-])NC(=O)C1=C(OC)C(=O)[N-]C(=O)N1	REAL300002036920	1	39	-2.0	-87.29	309.12	0.64	-86.65
CCOC1=CC(C(=O)NC(CC)(CC)CC(=O)[O-])=CC(Cl)=C1[O-]	REAL300002036997	1	43	-2.0	-89.60	347.82	6.69	-82.91
CCC(CC)(CC(=O)[O-])NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300002037000	0	46	-2.0	-114.53	371.44	7.81	-106.72
CCC(CC)(CC(=O)[O-])NC(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-]	REAL300002037005	0	47	-2.0	-110.09	371.02	5.68	-104.41
CCC(CC)(CC(=O)[O-])NC(=O)C1=COC(S(=O)(=O)[N-]C)=C1	REAL300002037016	1	40	-2.0	-91.26	332.74	0.91	-90.35
CCC(CC)(CC(=O)[O-])NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300002037121	0	39	-2.0	-80.64	316.51	3.79	-76.85
CCC(CC)(CC(=O)[O-])NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300002037121	1	39	-2.0	-80.56	316.58	3.81	-76.75
CCC(CC)(CC(=O)[O-])NC(=O)C1=CN=C(COC)[N-]C1=O	REAL300002037337	1	41	-2.0	-91.28	321.85	2.31	-88.97
CCC(CC)(CC(=O)[O-])NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300002037373	1	44	-2.0	-92.15	335.80	5.21	-86.94
CCC(CC)(CC(=O)[O-])NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300002037568	0	36	-2.0	-95.21	311.35	7.58	-87.63
CC1=C(CCC(=O)NC2(C(=O)[O-])CCOC2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300002038180	1	49	-2.0	-108.02	388.80	4.15	-103.87
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2(C(=O)[O-])CCOC2)C=C1	REAL300002038709	1	41	-2.0	-129.42	353.51	7.13	-122.29
O=C([O-])C1(NC(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3)C=C2)CCOC1	REAL300002038855	1	43	-2.0	-107.48	370.22	4.21	-103.27
O=C([O-])C1(NC(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)CCOC1	REAL300002038856	1	43	-2.0	-115.44	370.50	4.21	-111.23
CC1=CC(C(=O)NC2(C(=O)[O-])CCOC2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300002038867	0	39	-2.0	-91.94	351.66	2.39	-89.55
O=C([O-])C1(NC(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CS3)C=C2)CCOC1	REAL300002039050	0	40	-2.0	-105.65	362.16	3.20	-102.45
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(C(=O)[O-])CCOC2)O1	REAL300002039068	1	42	-2.0	-96.09	355.68	0.52	-95.57
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(C(=O)[O-])CCOC2)O1	REAL300002039069	1	33	-2.0	-95.17	302.07	-2.02	-97.19
O=C([O-])C1(NC(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CS3)=C2)CCOC1	REAL300002039294	0	40	-2.0	-113.65	362.44	3.21	-110.44
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2(C(=O)[O-])CCOC2)=CS1	REAL300002039546	1	40	-2.0	-114.24	343.87	2.38	-111.86
CC1=C(CC(=O)NC2(C(=O)[O-])CCOC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002039722	1	42	-2.0	-118.85	353.83	2.56	-116.29
O=C([O-])C1(NC(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3)C=C2)CCOC1	REAL300002039852	1	43	-2.0	-101.55	370.40	4.18	-97.37
O=C([O-])C1(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CCOC1	REAL300002040386	1	32	-2.0	-121.43	285.89	4.32	-117.11
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2(C(=O)[O-])CCOC2)C=N1	REAL300002040454	0	35	-2.0	-103.94	310.72	0.35	-103.59
O=C([O-])C1(NC(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=NC=C3)C=C2)CCOC1	REAL300002040500	1	42	-2.0	-97.40	365.46	2.41	-94.99
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CCOC3)=N2)=C1	REAL300002040514	0	45	-2.0	-135.84	370.44	5.41	-130.43
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CCOC3)=N2)C=C1	REAL300002040515	0	45	-2.0	-134.67	370.36	5.41	-129.26
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2(C(=O)[O-])CCOC2)=N1	REAL300002040561	0	39	-2.0	-131.08	337.91	4.52	-126.56
O=C([O-])C1(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CCOC1	REAL300002040565	0	36	-2.0	-132.20	316.58	3.56	-128.64
O=C([O-])C1(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)CCOC1	REAL300002040581	1	34	-2.0	-135.64	289.69	3.94	-131.70
O=C([O-])C1(NC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)CCOC1	REAL300002040597	0	36	-2.0	-99.17	332.04	1.64	-97.53
O=C([O-])C1(NC(=O)C2=CN=C(I)C([O-])=C2)CCOC1	REAL300002040629	0	28	-2.0	-102.58	271.28	1.36	-101.22
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CCOC3)=N2)=C1	REAL300002040662	0	39	-2.0	-138.70	334.76	4.11	-134.59
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2(C(=O)[O-])CCOC2)=N1	REAL300002040663	0	42	-2.0	-137.93	351.41	5.23	-132.70
CC1=C(CC(=O)NC2(C(=O)[O-])CCOC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002040691	1	42	-2.0	-117.27	354.10	2.56	-114.71
O=C([O-])C1(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)CCOC1	REAL300002040718	0	29	-2.0	-98.11	271.59	2.80	-95.31
CCOC1=CC(C(=O)NC2(C(=O)[O-])CCOC2)=CC(Cl)=C1[O-]	REAL300002040778	1	36	-2.0	-103.40	316.44	3.78	-99.62
O=C([O-])C1(NC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])CCOC1	REAL300002040781	0	39	-2.0	-138.30	340.02	4.89	-133.41
COC1=CC=C(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CCOC3)=N2)C=C1	REAL300002040785	0	40	-2.0	-134.22	339.65	2.79	-131.43
C[N-]S(=O)(=O)C1=CC(C(=O)NC2(C(=O)[O-])CCOC2)=CO1	REAL300002040795	1	33	-2.0	-105.71	301.27	-1.99	-107.70
O=C([O-])C1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCOC1	REAL300002040890	0	32	-2.0	-90.31	285.09	0.83	-89.48
O=C([O-])C1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCOC1	REAL300002040890	1	32	-2.0	-90.30	285.16	0.83	-89.47
O=C([O-])C1(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)CCOC1	REAL300002041093	1	37	-2.0	-108.69	304.32	2.30	-106.39
O=C([O-])C1(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCOC1	REAL300002041256	0	29	-2.0	-116.73	279.95	4.36	-112.37
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NC(=O)C1=CC=C([O-])C(F)=C1	REAL300002042704	1	34	-2.0	-96.84	341.75	7.52	-89.32
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NC(=O)CCC1=N[N-]N=N1	REAL300002042746	0	34	-2.0	-93.27	338.30	5.60	-87.67
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NC(=O)CCC1=NN=N[N-]1	REAL300002042746	1	34	-2.0	-93.30	338.36	5.61	-87.69
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NC(=O)C1=CN=CC([O-])=C1	REAL300002042813	1	33	-2.0	-100.72	330.35	5.69	-95.03
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300002043080	0	37	-2.0	-101.43	359.80	6.38	-95.05
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300002043080	1	37	-2.0	-101.44	359.85	6.40	-95.04
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300002043098	0	34	-2.0	-94.72	351.54	8.01	-86.71
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NC(=O)C1=C[N-]N=CC1=O	REAL300002043298	0	32	-2.0	-96.46	322.80	6.06	-90.40
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(CC2=CC=CC=C2OC)C(=O)[O-])O1	REAL300002044603	1	45	-2.0	-103.47	404.75	1.85	-101.62
COC1=CC=CC=C1CC(CNC(=O)C1=CC=C([O-])C(F)=C1)C(=O)[O-]	REAL300002046047	1	41	-2.0	-101.39	358.23	6.09	-95.30
COC1=CC=CC=C1CC(CNC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300002046062	1	44	-2.0	-109.73	382.58	9.37	-100.36
COC1=CC=CC=C1CC(CNC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL300002046123	0	41	-2.0	-96.08	354.06	4.05	-92.03
COC1=CC=CC=C1CC(CNC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL300002046123	1	41	-2.0	-96.06	354.12	4.07	-91.99
COC1=CC=CC=C1CC(CNC(=O)C1=CN=C(C2CC2)[N-]C1=O)C(=O)[O-]	REAL300002046213	1	46	-2.0	-113.90	381.49	5.73	-108.17
COC1=CC=CC=C1CC(CNC(=O)C1=CN=CC([O-])=C1)C(=O)[O-]	REAL300002046239	1	40	-2.0	-100.61	347.07	4.22	-96.39
COC1=CC=CC=C1CC(CNC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(=O)[O-]	REAL300002046374	1	46	-2.0	-127.67	386.37	8.99	-118.68
COC1=CC=CC=C1CC(CNC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300002046644	0	41	-2.0	-97.46	374.13	6.65	-90.81
COC1=CC=CC=C1CC(CNC(=O)C1=C(OC)C(=O)[N-]C(=O)N1)C(=O)[O-]	REAL300002046663	1	44	-2.0	-100.24	380.27	1.73	-98.51
COC1=CC=CC=C1CC(CNC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL300002046753	0	44	-2.0	-100.06	371.19	5.67	-94.39
COC1=CC=CC=C1CC(CNC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL300002046753	1	44	-2.0	-100.06	371.25	5.69	-94.37
COC1=CC=CC=C1CC(CNC(=O)C1=CC=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300002046785	0	41	-2.0	-98.39	368.03	6.59	-91.80
C[N-]S(=O)(=O)C1=CC(C(=O)NCC(CC2=CC=CC=C2OC)C(=O)[O-])=CO1	REAL300002046815	1	45	-2.0	-98.13	404.00	1.84	-96.29
COC1=CC=CC=C1CC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300002046946	0	44	-2.0	-90.96	381.61	4.78	-86.18
COC1=CC=CC=C1CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300002046946	1	44	-2.0	-90.91	381.68	4.78	-86.13
COC1=CC=CC=C1CC(CNC(=O)C1=C[N-]N=CC1=O)C(=O)[O-]	REAL300002047175	0	39	-2.0	-104.70	339.17	4.64	-100.06
COCC1=NC=C(C(=O)NCC(CC2=CC=CC=C2OC)C(=O)[O-])C(=O)[N-]1	REAL300002047204	1	46	-2.0	-111.79	383.58	3.33	-108.46
COC1=CC=CC=C1CC(CNC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(=O)[O-]	REAL300002047245	1	49	-2.0	-117.42	401.28	6.32	-111.10
COC1=CC=CC=C1CC(CNC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300002047511	0	41	-2.0	-107.31	382.52	8.68	-98.63
CCC(CC)(CNC(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O)C(=O)[O-]	REAL300002048293	1	56	-2.0	-101.65	429.88	6.69	-94.96
CCC(CC)(CNC(=O)C1=CC(C)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300002048648	0	46	-2.0	-104.33	367.33	4.67	-99.66
CCC(CC)(CNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)CC)C(=O)[O-]	REAL300002048958	0	46	-2.0	-106.20	372.11	4.73	-101.47
CCC(CC)(CNC(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1)C(=O)[O-]	REAL300002049008	1	48	-2.0	-103.43	394.10	9.64	-93.79
CCC(CC)(CNC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300002049460	1	49	-2.0	-101.41	396.36	3.25	-98.16
CCC(CC)(CNC(=O)C1=CC=C(S(=O)(=O)[N-]C)O1)C(=O)[O-]	REAL300002049461	1	40	-2.0	-100.81	343.09	0.53	-100.28
CCC(CC)(CNC(=O)C1=CC(NC(C)=O)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300002049692	0	50	-2.0	-114.93	405.91	2.95	-111.98
CCC(CC)(CNC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300002049738	0	43	-2.0	-104.63	348.47	4.14	-100.49
CCC(CC)(CNC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1)C(=O)[O-]	REAL300002050110	1	47	-2.0	-99.68	384.82	4.93	-94.75
CCC(CC)(CNC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300002050347	0	43	-2.0	-99.72	357.05	3.90	-95.82
CCC(CC)(CNC(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O)C(=O)[O-]	REAL300002050350	1	49	-2.0	-104.93	393.03	5.46	-99.47
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(CC)(CC)C(=O)[O-]	REAL300002050353	0	49	-2.0	-106.49	391.44	5.83	-100.66
CCC(CC)(CNC(=O)C1=C(C)N=C(C(C)(C)C)[N-]C1=O)C(=O)[O-]	REAL300002050424	1	49	-2.0	-114.93	370.61	5.61	-109.32
CCC(CC)(CNC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300002051188	0	49	-2.0	-107.56	391.82	6.24	-101.32
CCC(CC)(CNC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300002051382	1	39	-2.0	-103.83	322.08	7.47	-96.36
CCC(CC)(CNC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300002051483	0	42	-2.0	-101.52	346.99	3.01	-98.51
CCC(CC)(CNC(=O)C1=CN=C(C2CC2)[N-]C1=O)C(=O)[O-]	REAL300002051513	1	41	-2.0	-112.93	325.33	4.53	-108.40
CCC(CC)(CNC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-])C(=O)[O-]	REAL300002051567	0	52	-2.0	-125.18	411.29	7.91	-117.27
CCC(CC)(CNC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])C(=O)[O-]	REAL300002051568	0	52	-2.0	-122.38	411.22	7.92	-114.46
CCC(CC)(CNC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-])C(=O)[O-]	REAL300002051646	0	46	-2.0	-118.27	378.76	7.01	-111.26
CCC(CC)(CNC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300002051651	0	43	-2.0	-117.32	352.73	6.21	-111.11
CCC(CC)(CNC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(=O)[O-]	REAL300002051677	1	41	-2.0	-122.90	330.60	6.93	-115.97
CCC(CC)(CNC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300002051697	0	43	-2.0	-86.33	368.21	4.32	-82.01
CCC(CC)(CNC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300002051746	0	35	-2.0	-92.75	312.15	3.88	-88.87
CCC(CC)(CNC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-])C(=O)[O-]	REAL300002051811	0	46	-2.0	-125.29	371.07	6.80	-118.49
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC(CC)(CC)C(=O)[O-])=N1	REAL300002051812	0	49	-2.0	-123.73	387.59	7.87	-115.86
CCC(CC)(CNC(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O)C(=O)[O-]	REAL300002051872	1	49	-2.0	-104.46	394.96	5.08	-99.38
CCC(CC)(CNC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300002051917	0	36	-2.0	-93.15	312.46	5.33	-87.82
CCC(CC)(CNC(=O)C1=C(OC)C(=O)[N-]C(=O)N1)C(=O)[O-]	REAL300002051925	1	39	-2.0	-95.95	318.61	0.40	-95.55
CCOC1=CC(C(=O)NCC(CC)(CC)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300002052031	1	43	-2.0	-98.67	355.13	6.61	-92.06
CCC(CC)(CNC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300002052035	0	46	-2.0	-130.24	380.93	7.43	-122.81
CCC(CC)(CNC(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-])C(=O)[O-]	REAL300002052043	0	47	-2.0	-122.08	378.33	5.59	-116.49
CCC(CC)(CNC(=O)C1=COC(S(=O)(=O)[N-]C)=C1)C(=O)[O-]	REAL300002052063	1	40	-2.0	-93.23	340.05	0.81	-92.42
CCC(CC)(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300002052194	0	39	-2.0	-90.77	326.00	3.40	-87.37
CCC(CC)(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300002052194	1	39	-2.0	-90.75	326.06	3.41	-87.34
CCC(CC)(CNC(=O)C1=CN=C(COC)[N-]C1=O)C(=O)[O-]	REAL300002052471	1	41	-2.0	-112.38	331.35	1.91	-110.47
CCC(CC)(CNC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(=O)[O-]	REAL300002052512	1	44	-2.0	-112.12	340.55	4.97	-107.15
CCC(CC)(CNC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300002052772	0	36	-2.0	-102.46	320.85	7.34	-95.12
CCC(CC)(CNC(=O)C1=C(C)N=C(C2=CC=CO2)[N-]C1=O)C(=O)[O-]	REAL300002053032	0	44	-2.0	-118.98	354.96	4.40	-114.58
C=CC(C)C(NC(=O)CCC1=C(C)N=C(N2CCOCC2)NC1=O)C(=O)[O-]	REAL300002053471	0	51	-2.0	-115.72	407.78	6.25	-109.47
C=CC(C)C(NC(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O)C(=O)[O-]	REAL300002053471	1	51	-2.0	-115.72	407.78	6.25	-109.47
C=CC(C)C(NC(=O)CN1C(=S)NN=C1C1=CC=C(C)C=C1)C(=O)[O-]	REAL300002054000	0	43	-2.0	-111.06	377.52	9.51	-101.55
C=CC(C)C(NC(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1)C(=O)[O-]	REAL300002054000	1	43	-2.0	-111.06	377.52	9.51	-101.55
C=CC(C)C(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300002054147	1	45	-2.0	-106.32	396.13	6.59	-99.73
C=CC(C)C(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300002054148	1	45	-2.0	-113.23	390.99	6.30	-106.93
C=CC(C)C(NC(=O)C1=CC=C([N-]S(=O)(=O)C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300002054159	0	41	-2.0	-91.89	370.53	4.48	-87.41
C=CC(C)C(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300002054343	0	42	-2.0	-107.10	386.53	5.61	-101.49
C=CC(C)C(NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300002054360	1	44	-2.0	-98.12	377.50	2.53	-95.59
C=CC(C)C(NC(=O)C1=CC=C(S(=O)(=O)[N-]C)O1)C(=O)[O-]	REAL300002054361	1	35	-2.0	-96.72	322.05	0.12	-96.60
C=CC(C)C(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C(=O)[O-]	REAL300002054589	0	42	-2.0	-111.49	382.92	5.31	-106.18
C=CC(C)C(NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1)C(=O)[O-]	REAL300002054843	1	42	-2.0	-116.75	363.01	4.56	-112.19
C=CC(C)C(NC(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O)C(=O)[O-]	REAL300002055015	1	44	-2.0	-115.64	373.59	4.70	-110.94
C=CC(C)C(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300002055144	1	45	-2.0	-98.45	394.77	6.58	-91.87
C=CC(C)C(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300002055676	1	34	-2.0	-116.31	309.01	7.12	-109.19
C=CC(C)C(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300002055742	0	37	-2.0	-104.64	330.65	2.46	-102.18
C=CC(C)C(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300002055787	1	44	-2.0	-94.65	389.81	4.80	-89.85
C=CC(C)C(NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-])C(=O)[O-]	REAL300002055801	0	47	-2.0	-133.52	390.91	7.48	-126.04
C=CC(C)C(NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])C(=O)[O-]	REAL300002055802	0	47	-2.0	-131.78	389.13	7.48	-124.30
C=CC(C)C(NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-])C(=O)[O-]	REAL300002055849	0	41	-2.0	-128.24	358.37	6.58	-121.66
C=CC(C)C(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300002055853	0	38	-2.0	-129.34	337.06	5.63	-123.71
C=CC(C)C(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(=O)[O-]	REAL300002055868	1	36	-2.0	-134.27	308.78	6.55	-127.72
C=CC(C)C(NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300002055884	0	38	-2.0	-96.88	350.82	3.71	-93.17
C=CC(C)C(NC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300002055914	0	30	-2.0	-100.45	291.77	3.46	-96.99
C=CC(C)C(NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-])C(=O)[O-]	REAL300002055946	0	41	-2.0	-134.60	360.70	6.50	-128.10
C=CC(C)C(NC(=O)C1=NN(C2=CC=CC=C2CC)C=C1[O-])C(=O)[O-]	REAL300002055947	0	44	-2.0	-135.26	370.20	7.28	-127.98
C=CC(C)C(NC(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O)C(=O)[O-]	REAL300002055972	1	44	-2.0	-114.56	374.58	4.65	-109.91
C=CC(C)C(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300002055997	0	31	-2.0	-97.31	290.65	4.95	-92.36
C=CC(C)C(NC(=O)C1=CC(Cl)=C([O-])C(OCC)=C1)C(=O)[O-]	REAL300002056055	1	38	-2.0	-102.70	335.50	5.93	-96.77
C=CC(C)C(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300002056058	0	41	-2.0	-137.17	358.83	6.99	-130.18
C=CC(C)C(NC(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-])C(=O)[O-]	REAL300002056062	0	42	-2.0	-131.41	358.41	4.86	-126.55
C=CC(C)C(NC(=O)C1=COC(S(=O)(=O)[N-]C)=C1)C(=O)[O-]	REAL300002056072	1	35	-2.0	-100.90	325.63	0.37	-100.53
C=CC(C)C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300002056166	0	34	-2.0	-89.33	309.41	3.27	-86.06
C=CC(C)C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300002056166	1	34	-2.0	-89.27	309.48	3.29	-85.98
C=CC(C)C(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(=O)[O-]	REAL300002056365	1	39	-2.0	-109.94	330.26	4.67	-105.27
C=CC(C)C(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300002056518	0	31	-2.0	-114.88	299.82	6.92	-107.96
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])O1	REAL300002057829	1	39	-2.0	-88.29	370.04	1.32	-86.97
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002058011	0	42	-2.0	-102.02	377.60	4.63	-97.39
CC1=C(C(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300002058506	1	48	-2.0	-98.70	401.87	6.13	-92.57
O=C([O-])C(CNC(=O)C1=CC=C([O-])C(F)=C1)OC1=CC=C(F)C=C1	REAL300002059452	1	35	-2.0	-90.99	323.59	5.52	-85.47
O=C([O-])C(CNC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])OC1=CC=C(F)C=C1	REAL300002059465	1	38	-2.0	-102.71	353.73	8.11	-94.60
O=C([O-])C(CNC(=O)CCC1=N[N-]N=N1)OC1=CC=C(F)C=C1	REAL300002059519	0	35	-2.0	-88.31	321.06	3.57	-84.74
O=C([O-])C(CNC(=O)CCC1=NN=N[N-]1)OC1=CC=C(F)C=C1	REAL300002059519	1	35	-2.0	-88.31	321.12	3.59	-84.72
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C=N1	REAL300002059590	0	41	-2.0	-93.96	378.64	3.66	-90.30
O=C([O-])C(CNC(=O)C1=CN=C(C2CC2)[N-]C1=O)OC1=CC=C(F)C=C1	REAL300002059620	1	40	-2.0	-97.78	356.34	5.14	-92.64
O=C([O-])C(CNC(=O)C1=CN=CC([O-])=C1)OC1=CC=C(F)C=C1	REAL300002059653	1	34	-2.0	-92.85	312.24	3.68	-89.17
O=C([O-])C(CNC(=O)C1=C([O-])C2=CC=CC=C2C=N1)OC1=CC=C(F)C=C1	REAL300002059796	1	40	-2.0	-115.63	357.54	7.73	-107.90
O=C([O-])C(CNC(=O)C1=CC(F)=C([O-])C(Cl)=C1)OC1=CC=C(F)C=C1	REAL300002060074	0	35	-2.0	-88.15	339.60	6.08	-82.07
COC1=C(C(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])NC(=O)[N-]C1=O	REAL300002060093	1	38	-2.0	-89.83	346.29	1.23	-88.60
O=C([O-])C(CNC(=O)CCCC1=N[N-]N=N1)OC1=CC=C(F)C=C1	REAL300002060185	0	38	-2.0	-96.38	342.56	4.35	-92.03
O=C([O-])C(CNC(=O)CCCC1=NN=N[N-]1)OC1=CC=C(F)C=C1	REAL300002060185	1	38	-2.0	-96.41	342.61	4.37	-92.04
O=C([O-])C(CNC(=O)C1=CC=C([O-])C(Cl)=C1)OC1=CC=C(F)C=C1	REAL300002060218	0	35	-2.0	-88.20	333.39	6.01	-82.19
CCOC1=CC(C(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300002060221	1	42	-2.0	-92.42	384.25	7.09	-85.33
C[N-]S(=O)(=O)C1=CC(C(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])=CO1	REAL300002060252	1	39	-2.0	-93.27	369.18	1.30	-91.97
O=C([O-])C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)OC1=CC=C(F)C=C1	REAL300002060402	0	38	-2.0	-83.44	352.94	4.21	-79.23
O=C([O-])C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)OC1=CC=C(F)C=C1	REAL300002060402	1	38	-2.0	-83.43	353.01	4.21	-79.22
O=C([O-])C(CNC(=O)C1=C[N-]N=CC1=O)OC1=CC=C(F)C=C1	REAL300002060660	0	33	-2.0	-87.85	304.46	4.12	-83.73
COCC1=NC=C(C(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C(=O)[N-]1	REAL300002060691	1	40	-2.0	-96.54	358.44	2.74	-93.80
O=C([O-])C(CNC(=O)C1=CN=C(C2CCC2)[N-]C1=O)OC1=CC=C(F)C=C1	REAL300002060735	1	43	-2.0	-97.43	372.36	5.62	-91.81
O=C([O-])C(CNC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])OC1=CC=C(F)C=C1	REAL300002061023	0	35	-2.0	-99.22	347.80	8.14	-91.08
O=C([O-])C([N-]C(=O)C(F)(F)C1=CC=CC=C1)C1=CC=C(F)C(F)=C1	REAL300002062815	1	33	-2.0	-126.49	315.68	7.58	-118.91
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)O1	REAL300002062858	1	35	-2.0	-95.43	345.12	1.51	-93.92
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=CS1	REAL300002063268	1	42	-2.0	-106.29	386.45	5.89	-100.40
CCOC1=CC=CC=C1C(F)(F)C(=O)[N-]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300002063405	1	40	-2.0	-137.27	366.25	7.32	-129.95
CC(C)OC1=CC=CC=C1C(F)(F)C(=O)[N-]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300002063720	1	43	-2.0	-135.12	382.65	7.92	-127.20
COC1=CC=CC=C1C(F)(F)C(=O)[N-]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300002063757	1	37	-2.0	-130.92	343.00	6.97	-123.95
O=C([O-])C(NC(=O)C1=CC=C([O-])C(F)=C1)C1=CC=C(F)C(F)=C1	REAL300002064302	1	31	-2.0	-97.51	298.09	5.74	-91.77
O=C([O-])C(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1=CC=C(F)C(F)=C1	REAL300002064313	1	34	-2.0	-113.22	328.42	8.26	-104.96
O=C([O-])C(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(F)C(F)=C1	REAL300002064349	0	31	-2.0	-93.63	295.94	3.81	-89.82
O=C([O-])C(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(F)C(F)=C1	REAL300002064349	1	31	-2.0	-93.62	296.00	3.82	-89.80
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=N1	REAL300002064413	0	37	-2.0	-101.95	353.97	3.78	-98.17
O=C([O-])C(NC(=O)C1=CN=CC([O-])=C1)C1=CC=C(F)C(F)=C1	REAL300002064472	1	30	-2.0	-100.30	287.57	3.78	-96.52
O=C([O-])C(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1=CC=C(F)C(F)=C1	REAL300002064556	0	38	-2.0	-124.15	359.72	6.95	-117.20
O=C([O-])C(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=CC=C(F)C(F)=C1	REAL300002064588	1	36	-2.0	-129.27	332.87	7.83	-121.44
O=C([O-])C(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=CC=C(F)C(F)=C1	REAL300002064822	0	31	-2.0	-93.24	314.47	6.31	-86.93
COC1=C(C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)NC(=O)[N-]C1=O	REAL300002064834	1	34	-2.0	-95.19	320.24	1.35	-93.84
O=C([O-])C(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(F)C(F)=C1	REAL300002064913	0	34	-2.0	-100.83	317.63	4.52	-96.31
O=C([O-])C(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(F)C(F)=C1	REAL300002064913	1	34	-2.0	-100.88	317.69	4.54	-96.34
O=C([O-])C(NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=CC=C(F)C(F)=C1	REAL300002064945	0	31	-2.0	-95.18	307.89	6.23	-88.95
CCOC1=CC(C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=CC(Cl)=C1[O-]	REAL300002064948	1	38	-2.0	-99.66	359.34	7.29	-92.37
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=CO1	REAL300002064970	1	35	-2.0	-98.92	343.85	1.47	-97.45
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=C(F)C(F)=C1	REAL300002065108	0	34	-2.0	-88.86	328.03	4.39	-84.47
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=C(F)C(F)=C1	REAL300002065108	1	34	-2.0	-88.82	328.10	4.39	-84.43
O=C([O-])C(NC(=O)C1=C[N-]N=CC1=O)C1=CC=C(F)C(F)=C1	REAL300002065333	0	29	-2.0	-99.15	279.75	4.22	-94.93
COCC1=NC=C(C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C(=O)[N-]1	REAL300002065356	1	36	-2.0	-108.44	333.28	2.91	-105.53
O=C([O-])C([N-]C(=O)C(F)(F)C1=CC=CN=C1)C1=CC=C(F)C(F)=C1	REAL300002065446	1	32	-2.0	-124.94	312.12	5.22	-119.72
O=C([O-])C(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=CC=C(F)C(F)=C1	REAL300002065633	0	31	-2.0	-109.52	322.85	8.32	-101.20
O=C([O-])C([N-]C(=O)C(F)(F)CCN1C=CN=N1)C1=CC=C(F)C(F)=C1	REAL300002065715	1	35	-2.0	-124.54	333.23	5.26	-119.28
CC1=CC(F)=CC=C1C(F)(F)C(=O)[N-]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300002065716	0	36	-2.0	-117.34	331.87	7.89	-109.45
O=C([O-])C([N-]C(=O)C(F)(F)CCN1C=CC=N1)C1=CC=C(F)C(F)=C1	REAL300002065717	1	36	-2.0	-125.90	341.64	5.83	-120.07
CC1=CC(C(F)(F)C(=O)[N-]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=CS1	REAL300002066015	1	33	-2.0	-127.02	329.96	6.79	-120.23
CN1C=C(C(F)(F)C(=O)[N-]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=N1	REAL300002066016	1	33	-2.0	-122.08	320.15	5.37	-116.71
CC1=CC=C(F)C=C1C(F)(F)C(=O)[N-]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300002066034	0	36	-2.0	-124.65	335.22	8.16	-116.49
O=C([O-])C([N-]C(=O)C(F)(F)C1=CC=CC=C1)C1=CC=C(Cl)C(F)=C1	REAL300002066888	1	33	-2.0	-127.68	325.57	8.03	-119.65
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)O1	REAL300002066925	1	35	-2.0	-95.77	355.26	1.89	-93.88
COC1=CC=CC=C1C(F)(F)C(=O)[N-]C(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300002067668	1	37	-2.0	-134.10	354.31	6.85	-127.25
O=C([O-])C(NC(=O)C1=CC=C([O-])C(F)=C1)C1=CC=C(Cl)C(F)=C1	REAL300002068181	1	31	-2.0	-97.76	307.98	6.19	-91.57
O=C([O-])C(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1=CC=C(Cl)C(F)=C1	REAL300002068193	1	34	-2.0	-113.70	338.92	8.65	-105.05
O=C([O-])C(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300002068235	0	31	-2.0	-94.03	306.07	4.19	-89.84
O=C([O-])C(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300002068235	1	31	-2.0	-93.97	306.13	4.19	-89.78
O=C([O-])C(NC(=O)C1=CN=CC([O-])=C1)C1=CC=C(Cl)C(F)=C1	REAL300002068331	1	30	-2.0	-100.62	297.46	4.23	-96.39
O=C([O-])C(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=CC=C(Cl)C(F)=C1	REAL300002068434	1	36	-2.0	-129.96	342.52	8.35	-121.61
O=C([O-])C(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=CC=C(Cl)C(F)=C1	REAL300002068661	0	31	-2.0	-93.51	324.60	6.68	-86.83
COC1=C(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)NC(=O)[N-]C1=O	REAL300002068674	1	34	-2.0	-95.40	330.13	1.80	-93.60
O=C([O-])C(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300002068744	0	34	-2.0	-100.80	326.92	5.02	-95.78
O=C([O-])C(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300002068744	1	34	-2.0	-100.75	326.97	5.04	-95.71
O=C([O-])C(NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=CC=C(Cl)C(F)=C1	REAL300002068772	0	31	-2.0	-95.62	318.37	6.63	-88.99
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)=CO1	REAL300002068793	1	35	-2.0	-99.11	353.74	1.91	-97.20
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=C(Cl)C(F)=C1	REAL300002068912	0	34	-2.0	-89.24	338.16	4.77	-84.47
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=C(Cl)C(F)=C1	REAL300002068912	1	34	-2.0	-89.20	338.23	4.77	-84.43
O=C([O-])C(NC(=O)C1=C[N-]N=CC1=O)C1=CC=C(Cl)C(F)=C1	REAL300002069109	0	29	-2.0	-99.70	289.64	4.66	-95.04
COCC1=NC=C(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C(=O)[N-]1	REAL300002069131	1	36	-2.0	-109.26	343.41	3.29	-105.97
O=C([O-])C([N-]C(=O)C(F)(F)C1=CC=CN=C1)C1=CC=C(Cl)C(F)=C1	REAL300002069212	1	32	-2.0	-126.11	322.01	5.67	-120.44
O=C([O-])C(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=CC=C(Cl)C(F)=C1	REAL300002069375	0	31	-2.0	-110.07	332.74	8.77	-101.30
O=C([O-])C([N-]C(=O)C(F)(F)CCN1C=CN=N1)C1=CC=C(Cl)C(F)=C1	REAL300002069450	1	35	-2.0	-127.27	345.35	5.04	-122.23
CC1=CC(F)=CC=C1C(F)(F)C(=O)[N-]C(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300002069451	0	36	-2.0	-118.49	341.76	8.33	-110.16
O=C([O-])C([N-]C(=O)C(F)(F)CCN1C=CC=N1)C1=CC=C(Cl)C(F)=C1	REAL300002069452	1	36	-2.0	-127.12	351.54	6.28	-120.84
CC1=CC(C(F)(F)C(=O)[N-]C(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)=CS1	REAL300002069725	1	33	-2.0	-128.11	339.85	7.24	-120.87
CN1C=C(C(F)(F)C(=O)[N-]C(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C=N1	REAL300002069726	1	33	-2.0	-124.38	331.48	5.26	-119.12
CC1=CC=C(F)C=C1C(F)(F)C(=O)[N-]C(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300002069742	0	36	-2.0	-125.76	345.11	8.60	-117.16
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300002082898	1	38	-2.0	-112.98	343.18	4.94	-108.04
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC(C(=O)[O-])=CC=C1F	REAL300002083213	1	38	-2.0	-113.67	344.09	5.17	-108.50
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300002083263	1	40	-2.0	-126.68	365.20	10.08	-116.60
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC(C(=O)[O-])=CC=C2F)O1	REAL300002083706	1	41	-2.0	-92.11	368.67	3.51	-88.60
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC(C(=O)[O-])=CC=C2F)O1	REAL300002083707	1	32	-2.0	-91.63	315.05	0.97	-90.66
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC(C(=O)[O-])=CC=C1F	REAL300002083980	0	35	-2.0	-112.03	322.62	4.27	-107.76
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=CC(C(=O)[O-])=CC=C2F)=CS1	REAL300002084349	1	39	-2.0	-115.59	355.99	5.38	-110.21
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1=CC(C(=O)[O-])=CC=C1F	REAL300002084585	0	35	-2.0	-104.36	329.03	4.33	-100.03
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC(C(=O)[O-])=CC=C1F	REAL300002084591	1	41	-2.0	-114.25	365.59	5.96	-108.29
COC1=CC=C(C(=O)NC2=CC(C(=O)[O-])=CC=C2F)C([O-])=C1	REAL300002085158	1	32	-2.0	-125.57	289.47	5.95	-119.62
O=C([O-])C1=CC=C(F)C(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])=C1	REAL300002085702	1	31	-2.0	-115.92	298.76	7.64	-108.28
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC(C(=O)[O-])=CC=C2F)C=N1	REAL300002085810	0	34	-2.0	-99.77	322.84	3.31	-96.46
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3=CC(C(=O)[O-])=CC=C3F)=N2)=C1	REAL300002085901	0	44	-2.0	-126.84	383.21	8.32	-118.52
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=CC(C(=O)[O-])=CC=C3F)=N2)C=C1	REAL300002085902	0	44	-2.0	-126.63	382.36	8.32	-118.31
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC(C(=O)[O-])=CC=C2F)=N1	REAL300002085992	0	38	-2.0	-123.15	344.02	7.39	-115.76
O=C([O-])C1=CC=C(F)C(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])=C1	REAL300002085997	0	35	-2.0	-125.00	328.58	6.46	-118.54
O=C([O-])C1=CC=C(F)C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)=C1	REAL300002086028	0	33	-2.0	-127.83	301.73	7.25	-120.58
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC(C(=O)[O-])=CC=C3F)=N2)=C1	REAL300002086181	0	38	-2.0	-130.60	347.75	7.05	-123.55
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC(C(=O)[O-])=CC=C2F)=N1	REAL300002086182	0	41	-2.0	-128.42	357.00	8.21	-120.21
O=C([O-])C1=CC=C(F)C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)=C1	REAL300002086303	0	28	-2.0	-95.56	284.44	5.76	-89.80
O=C([O-])C1=CC=C(F)C(NC(=O)C2=CC=C([O-])C(Cl)=C2)=C1	REAL300002086439	0	28	-2.0	-97.00	278.23	5.68	-91.32
CCOC1=CC(C(=O)NC2=CC(C(=O)[O-])=CC=C2F)=CC(Cl)=C1[O-]	REAL300002086442	1	35	-2.0	-98.75	329.28	6.73	-92.02
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC(C(=O)[O-])=CC=C3F)=N2)C=C1	REAL300002086454	0	39	-2.0	-126.42	351.65	5.70	-120.72
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC(C(=O)[O-])=CC=C2F)=CO1	REAL300002086477	1	32	-2.0	-104.00	314.23	0.94	-103.06
O=C([O-])C1=CC=C(F)C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)=C1	REAL300002086567	0	36	-2.0	-110.51	325.83	9.62	-100.89
O=C([O-])C1=CC=C(F)C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)=C1	REAL300002086567	1	36	-2.0	-110.47	325.78	9.62	-100.85
O=C([O-])C1=CC=C(F)C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300002086634	0	31	-2.0	-88.40	298.03	3.85	-84.55
O=C([O-])C1=CC=C(F)C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300002086634	1	31	-2.0	-88.47	297.96	3.84	-84.63
COCC1=NC=C(C(=O)NC2=CC(C(=O)[O-])=CC=C2F)C(=O)[N-]1	REAL300002086953	1	33	-2.0	-99.66	302.34	2.35	-97.31
O=C([O-])C1=CC=C(F)C(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=C1	REAL300002087295	0	28	-2.0	-111.31	292.83	7.67	-103.64
CC1=C(C(=O)NC2=CC(C(=O)[O-])=CC=C2F)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300002087595	1	36	-2.0	-103.12	326.05	4.86	-98.26
CC1=C(CCC(=O)NC(C)(C(=O)[O-])C2CC2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300002088079	1	51	-2.0	-110.30	396.89	6.73	-103.57
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300002088608	1	43	-2.0	-118.17	361.49	9.71	-108.46
CC(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)(C(=O)[O-])C1CC1	REAL300002088755	1	45	-2.0	-109.92	378.15	6.77	-103.15
CC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)(C(=O)[O-])C1CC1	REAL300002088756	1	45	-2.0	-118.37	378.42	6.75	-111.62
CC1=CC(C(=O)NC(C)(C(=O)[O-])C2CC2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300002088767	0	41	-2.0	-94.72	359.66	4.94	-89.78
CC(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)(C(=O)[O-])C1CC1	REAL300002088951	0	42	-2.0	-108.08	370.09	5.78	-102.30
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C)(C(=O)[O-])C2CC2)O1	REAL300002088968	1	44	-2.0	-99.04	364.83	3.05	-95.99
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C)(C(=O)[O-])C2CC2)O1	REAL300002088969	1	35	-2.0	-97.40	310.13	0.61	-96.79
CC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)(C(=O)[O-])C1CC1	REAL300002089197	0	42	-2.0	-116.62	370.35	5.77	-110.85
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(C)(C(=O)[O-])C2CC2)=CS1	REAL300002089451	1	42	-2.0	-115.97	351.81	4.97	-111.00
CC1=C(CC(=O)NC(C)(C(=O)[O-])C2CC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002089623	1	44	-2.0	-133.90	361.81	5.13	-128.77
CC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)(C(=O)[O-])C1CC1	REAL300002089752	1	45	-2.0	-103.63	378.34	6.77	-96.86
CC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])(C(=O)[O-])C1CC1	REAL300002090284	1	34	-2.0	-125.72	293.83	6.90	-118.82
CC(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)(C(=O)[O-])C1CC1	REAL300002090350	0	37	-2.0	-106.67	318.73	2.92	-103.75
CC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)(C(=O)[O-])C1CC1	REAL300002090395	1	44	-2.0	-99.73	373.38	4.99	-94.74
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC(C)(C(=O)[O-])C3CC3)=N2)=C1	REAL300002090409	0	47	-2.0	-139.44	378.32	7.98	-131.46
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(C)(C(=O)[O-])C3CC3)=N2)C=C1	REAL300002090410	0	47	-2.0	-137.66	378.19	8.00	-129.66
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(C)(C(=O)[O-])C2CC2)=N1	REAL300002090457	0	41	-2.0	-133.83	340.39	7.06	-126.77
CC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])(C(=O)[O-])C1CC1	REAL300002090461	0	38	-2.0	-135.78	324.47	6.13	-129.65
CC(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)(C(=O)[O-])C1CC1	REAL300002090476	1	36	-2.0	-139.87	297.63	6.53	-133.34
CC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)(C(=O)[O-])C1CC1	REAL300002090492	0	38	-2.0	-101.96	339.96	4.21	-97.75
CC(NC(=O)C1=CN=C(I)C([O-])=C1)(C(=O)[O-])C1CC1	REAL300002090522	0	30	-2.0	-105.51	279.20	3.93	-101.58
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(C)(C(=O)[O-])C3CC3)=N2)=C1	REAL300002090554	0	41	-2.0	-143.08	342.82	6.72	-136.36
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(C)(C(=O)[O-])C2CC2)=N1	REAL300002090555	0	44	-2.0	-141.53	359.32	7.81	-133.72
CC1=C(CC(=O)NC(C)(C(=O)[O-])C2CC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002090580	1	44	-2.0	-132.59	361.99	5.12	-127.47
CC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)(C(=O)[O-])C1CC1	REAL300002090605	0	31	-2.0	-100.69	279.50	5.36	-95.33
CCOC1=CC(C(=O)NC(C)(C(=O)[O-])C2CC2)=CC(Cl)=C1[O-]	REAL300002090663	1	38	-2.0	-106.10	324.34	6.35	-99.75
CC(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])(C(=O)[O-])C1CC1	REAL300002090666	0	41	-2.0	-142.41	347.97	7.50	-134.91
COC1=CC=C(N2C=C([O-])C(C(=O)NC(C)(C(=O)[O-])C3CC3)=N2)C=C1	REAL300002090670	0	42	-2.0	-137.18	347.48	5.37	-131.81
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C)(C(=O)[O-])C2CC2)=CO1	REAL300002090680	1	35	-2.0	-108.27	309.26	0.58	-107.69
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)(C(=O)[O-])C1CC1	REAL300002090774	0	34	-2.0	-92.96	293.04	3.47	-89.49
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)(C(=O)[O-])C1CC1	REAL300002090774	1	34	-2.0	-92.94	293.10	3.47	-89.47
CC(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)(C(=O)[O-])C1CC1	REAL300002090973	1	39	-2.0	-112.55	312.46	4.82	-107.73
CC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])(C(=O)[O-])C1CC1	REAL300002091126	0	31	-2.0	-120.79	287.89	6.93	-113.86
O=C([O-])CC(NC(=O)C1=CC=C([O-])C(F)=C1)C1=CC=C(Br)C=C1	REAL300002092280	1	34	-2.0	-93.29	321.87	6.54	-86.75
O=C([O-])CC(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(Br)C=C1	REAL300002092320	0	34	-2.0	-91.33	319.30	4.58	-86.75
O=C([O-])CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(Br)C=C1	REAL300002092320	1	34	-2.0	-91.31	319.36	4.59	-86.72
O=C([O-])CC(NC(=O)C1=CN=CC([O-])=C1)C1=CC=C(Br)C=C1	REAL300002092371	1	33	-2.0	-97.71	310.71	4.64	-93.07
O=C([O-])CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(Br)C=C1	REAL300002092574	0	37	-2.0	-101.83	340.79	5.36	-96.47
O=C([O-])CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(Br)C=C1	REAL300002092574	1	37	-2.0	-101.83	340.85	5.38	-96.45
O=C([O-])CC(NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=CC=C(Br)C=C1	REAL300002092588	0	34	-2.0	-90.85	331.66	7.03	-83.82
O=C([O-])CC(NC(=O)C1=C[N-]N=CC1=O)C1=CC=C(Br)C=C1	REAL300002092751	0	32	-2.0	-98.35	310.04	5.80	-92.55
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC(=O)[O-])C2=CC=C(SC)C=C2)O1	REAL300002093789	1	42	-2.0	-97.63	394.42	3.37	-94.26
CSC1=CC=C(C(CC(=O)[O-])NC(=O)C2=CC=C([O-])C(F)=C2)C=C1	REAL300002094923	1	38	-2.0	-96.96	340.76	6.93	-90.03
CSC1=CC=C(C(CC(=O)[O-])NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C=C1	REAL300002094936	1	41	-2.0	-114.43	371.03	9.46	-104.97
CSC1=CC=C(C(CC(=O)[O-])NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300002094980	0	38	-2.0	-95.03	338.19	4.98	-90.05
CSC1=CC=C(C(CC(=O)[O-])NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300002094980	1	38	-2.0	-95.05	338.25	4.99	-90.06
CSC1=CC=C(C(CC(=O)[O-])NC(=O)C2=CN=C(C3CC3)[N-]C2=O)C=C1	REAL300002095048	1	43	-2.0	-101.22	373.77	6.47	-94.75
CSC1=CC=C(C(CC(=O)[O-])NC(=O)C2=CN=CC([O-])=C2)C=C1	REAL300002095070	1	37	-2.0	-101.57	329.60	5.05	-96.52
CSC1=CC=C(C(CC(=O)[O-])NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C=C1	REAL300002095161	1	43	-2.0	-128.01	381.92	9.76	-118.25
CSC1=CC=C(C(CC(=O)[O-])NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C=C1	REAL300002095381	0	38	-2.0	-93.15	356.87	7.51	-85.64
COC1=C(C(=O)NC(CC(=O)[O-])C2=CC=C(SC)C=C2)NC(=O)[N-]C1=O	REAL300002095394	1	41	-2.0	-98.20	369.64	3.34	-94.86
CSC1=CC=C(C(CC(=O)[O-])NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300002095462	0	41	-2.0	-105.81	359.69	5.76	-100.05
CSC1=CC=C(C(CC(=O)[O-])NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300002095462	1	41	-2.0	-105.81	359.75	5.77	-100.04
CSC1=CC=C(C(CC(=O)[O-])NC(=O)C2=CC=C([O-])C(Cl)=C2)C=C1	REAL300002095490	0	38	-2.0	-94.53	350.55	7.43	-87.10
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CC(=O)[O-])C2=CC=C(SC)C=C2)=CO1	REAL300002095510	1	42	-2.0	-99.73	393.47	3.48	-96.25
CSC1=CC=C(C(CC(=O)[O-])NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300002095617	0	41	-2.0	-90.47	377.32	6.25	-84.22
CSC1=CC=C(C(CC(=O)[O-])NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300002095617	1	41	-2.0	-90.42	377.39	6.25	-84.17
CSC1=CC=C(C(CC(=O)[O-])NC(=O)C2=C[N-]N=CC2=O)C=C1	REAL300002095795	0	36	-2.0	-101.37	328.75	6.30	-95.07
COCC1=NC=C(C(=O)NC(CC(=O)[O-])C2=CC=C(SC)C=C2)C(=O)[N-]1	REAL300002095816	1	43	-2.0	-100.61	375.61	4.12	-96.49
CSC1=CC=C(C(CC(=O)[O-])NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C=C1	REAL300002095852	1	46	-2.0	-101.27	389.52	7.02	-94.25
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300002097102	1	44	-2.0	-99.86	381.65	6.41	-93.45
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(CCC(=O)[O-])C=C1	REAL300002097400	1	44	-2.0	-101.72	382.01	6.61	-95.11
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300002097445	1	46	-2.0	-108.51	403.91	11.55	-96.96
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(CCC(=O)[O-])C=C2)O1	REAL300002097875	1	47	-2.0	-86.75	406.32	4.96	-81.79
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(CCC(=O)[O-])C=C2)O1	REAL300002097876	1	38	-2.0	-86.54	352.70	2.43	-84.11
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(CCC(=O)[O-])C=C1	REAL300002098145	0	41	-2.0	-99.58	360.26	5.73	-93.85
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=CC=C(CCC(=O)[O-])C=C2)=CS1	REAL300002098495	1	45	-2.0	-102.30	394.45	6.84	-95.46
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1=CC=C(CCC(=O)[O-])C=C1	REAL300002098731	0	41	-2.0	-93.89	366.95	5.79	-88.10
CC1=C(CC(=O)NC2=CC=C(CCC(=O)[O-])C=C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002098734	1	47	-2.0	-106.26	405.31	7.03	-99.23
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(CCC(=O)[O-])C=C1	REAL300002098737	1	47	-2.0	-102.14	403.51	7.40	-94.74
CC1=C(C(=O)NC2=CC=C(CCC(=O)[O-])C=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300002098818	1	47	-2.0	-89.27	384.53	7.21	-82.06
COC1=CC=C(C(=O)NC2=CC=C(CCC(=O)[O-])C=C2)C([O-])=C1	REAL300002099324	1	38	-2.0	-110.40	327.39	7.41	-102.99
O=C([O-])CCC1=CC=C(NC(=O)C2=CC=C([O-])C(F)=C2)C=C1	REAL300002099878	1	34	-2.0	-90.60	306.09	6.66	-83.94
O=C([O-])CCC1=CC=C(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C=C1	REAL300002099889	1	37	-2.0	-101.74	336.67	9.10	-92.64
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=C(CCC(=O)[O-])C=C2)C=N1	REAL300002099996	0	40	-2.0	-92.05	361.31	4.76	-87.29
O=C([O-])CCC1=CC=C(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)C=C1	REAL300002100032	1	39	-2.0	-88.50	339.54	6.16	-82.34
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3=CC=C(CCC(=O)[O-])C=C3)=N2)=C1	REAL300002100090	0	50	-2.0	-110.36	421.18	9.79	-100.57
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(CCC(=O)[O-])C=C3)=N2)C=C1	REAL300002100091	0	50	-2.0	-109.51	421.11	9.79	-99.72
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(CCC(=O)[O-])C=C2)=N1	REAL300002100186	0	44	-2.0	-106.99	388.58	8.89	-98.10
O=C([O-])CCC1=CC=C(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C=C1	REAL300002100191	0	41	-2.0	-108.35	367.33	7.93	-100.42
O=C([O-])CCC1=CC=C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C=C1	REAL300002100229	0	39	-2.0	-108.33	340.21	8.73	-99.60
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC=C(CCC(=O)[O-])C=C3)=N2)=C1	REAL300002100395	0	44	-2.0	-114.18	385.67	8.52	-105.66
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(CCC(=O)[O-])C=C2)=N1	REAL300002100396	0	47	-2.0	-112.00	402.02	9.61	-102.39
CC1=C(CC(=O)NC2=CC=C(CCC(=O)[O-])C=C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002100473	1	47	-2.0	-104.99	404.59	6.98	-98.01
O=C([O-])CCC1=CC=C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C=C1	REAL300002100533	0	34	-2.0	-88.73	322.36	7.21	-81.52
O=C([O-])CCC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300002100650	0	37	-2.0	-97.91	325.03	5.51	-92.40
O=C([O-])CCC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300002100650	1	37	-2.0	-97.92	325.08	5.52	-92.40
O=C([O-])CCC1=CC=C(NC(=O)C2=CC=C([O-])C(Cl)=C2)C=C1	REAL300002100686	0	34	-2.0	-87.49	315.88	7.15	-80.34
CCOC1=CC(C(=O)NC2=CC=C(CCC(=O)[O-])C=C2)=CC(Cl)=C1[O-]	REAL300002100689	1	41	-2.0	-91.66	366.92	8.18	-83.48
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(CCC(=O)[O-])C=C3)=N2)C=C1	REAL300002100699	0	45	-2.0	-109.48	390.40	7.17	-102.31
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=C(CCC(=O)[O-])C=C2)=CO1	REAL300002100723	1	38	-2.0	-96.29	351.85	2.41	-93.88
O=C([O-])CCC1=CC=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)C=C1	REAL300002100815	0	42	-2.0	-94.53	364.51	11.09	-83.44
O=C([O-])CCC1=CC=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)C=C1	REAL300002100815	1	42	-2.0	-94.51	364.56	11.08	-83.43
O=C([O-])CCC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300002100889	0	37	-2.0	-83.16	335.60	5.30	-77.86
O=C([O-])CCC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300002100889	1	37	-2.0	-83.21	335.67	5.30	-77.91
COCC1=NC=C(C(=O)NC2=CC=C(CCC(=O)[O-])C=C2)C(=O)[N-]1	REAL300002101221	1	39	-2.0	-88.14	341.38	3.82	-84.32
O=C([O-])CCC1=CC=C(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C=C1	REAL300002101269	1	42	-2.0	-88.50	355.29	6.71	-81.79
O=C([O-])CCC1=CC=C(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C=C1	REAL300002101590	0	34	-2.0	-97.39	330.75	9.13	-88.26
CC1=C(CCC(=O)NC2(C(=O)[O-])CC2)C(=O)NC(N2CCOCC2)=N1	REAL300002102323	0	45	-2.0	-120.30	367.60	5.68	-114.62
CC1=C(CCC(=O)NC2(C(=O)[O-])CC2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300002102323	1	45	-2.0	-120.30	367.60	5.68	-114.62
CC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)NC3(C(=O)[O-])CC3)C=C2)C=C1C	REAL300002102369	0	45	-2.0	-112.95	387.32	6.94	-106.01
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC3(C(=O)[O-])CC3)C=C2)C=C1C	REAL300002102369	1	45	-2.0	-112.95	387.32	6.94	-106.01
O=C([O-])C1(NC(=O)C2=CC=CC(S(=O)(=O)NC3=CC=C(F)C=C3)=C2)CC1	REAL300002102654	0	39	-2.0	-119.87	355.55	5.77	-114.10
O=C([O-])C1(NC(=O)C2=CC=CC(S(=O)(=O)[N-]C3=CC=C(F)C=C3)=C2)CC1	REAL300002102654	1	39	-2.0	-119.87	355.55	5.77	-114.10
CC1=CC=C(S(=O)(=O)NC2=CC=CC(C(=O)NC3(C(=O)[O-])CC3)=C2)C=C1F	REAL300002102669	0	42	-2.0	-118.92	375.82	6.42	-112.50
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NC3(C(=O)[O-])CC3)=C2)C=C1F	REAL300002102669	1	42	-2.0	-118.92	375.82	6.42	-112.50
CC1=CC=C(C2=NNC(=S)N2CC(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300002102709	0	37	-2.0	-136.15	332.17	8.66	-127.49
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300002102709	1	37	-2.0	-136.15	332.17	8.66	-127.49
O=C([O-])C1(NC(=O)C2=CC=C(NS(=O)(=O)C3=CC=C(F)C=C3)C=C2)CC1	REAL300002102750	0	39	-2.0	-105.36	355.30	5.80	-99.56
O=C([O-])C1(NC(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C=C3)C=C2)CC1	REAL300002102750	1	39	-2.0	-105.36	355.30	5.80	-99.56
CC1=CC=CC=C1NS(=O)(=O)C1=CC=C(C(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300002102752	0	42	-2.0	-106.71	369.02	6.49	-100.22
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300002102752	1	42	-2.0	-106.71	369.02	6.49	-100.22
CC1=CC=CC(NS(=O)(=O)C2=CC=C(C(=O)NC3(C(=O)[O-])CC3)C=C2)=C1C	REAL300002102755	0	45	-2.0	-108.03	385.99	7.02	-101.01
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NC3(C(=O)[O-])CC3)C=C2)=C1C	REAL300002102755	1	45	-2.0	-108.03	385.99	7.02	-101.01
O=C([O-])C1(NC(=O)C2=CC=C(NS(=O)(=O)C3=CC=CC=C3)C=C2)CC1	REAL300002102835	0	39	-2.0	-111.70	348.89	5.73	-105.97
O=C([O-])C1(NC(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3)C=C2)CC1	REAL300002102835	1	39	-2.0	-111.70	348.89	5.73	-105.97
O=C([O-])C1(NC(=O)CC2=CC=C(NS(=O)(=O)C3=CC=C(F)C=C3)C=C2)CC1	REAL300002102836	0	42	-2.0	-122.59	380.17	6.46	-116.13
O=C([O-])C1(NC(=O)CC2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C=C3)C=C2)CC1	REAL300002102836	1	42	-2.0	-122.59	380.17	6.46	-116.13
O=C([O-])C1(NC(=O)C2=CC=CC(NS(=O)(=O)C3=CC=CC=C3)=C2)CC1	REAL300002102837	0	39	-2.0	-121.47	349.10	5.71	-115.76
O=C([O-])C1(NC(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)CC1	REAL300002102837	1	39	-2.0	-121.47	349.10	5.71	-115.76
CC1=CC(C(=O)NC2(C(=O)[O-])CC2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300002102847	0	35	-2.0	-96.42	330.35	3.91	-92.51
CC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)NC3(C(=O)[O-])CC3)C=C2)C=C1	REAL300002102927	0	42	-2.0	-107.40	370.48	6.39	-101.01
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NC3(C(=O)[O-])CC3)C=C2)C=C1	REAL300002102927	1	42	-2.0	-107.40	370.48	6.39	-101.01
O=C([O-])C1(NC(=O)C2=CC=CC(S(=O)(=O)NC3=CC=CC(Cl)=C3)=C2)CC1	REAL300002102984	0	39	-2.0	-121.26	365.86	6.22	-115.04
O=C([O-])C1(NC(=O)C2=CC=CC(S(=O)(=O)[N-]C3=CC=CC(Cl)=C3)=C2)CC1	REAL300002102984	1	39	-2.0	-121.26	365.86	6.22	-115.04
COC1=CC=C(NS(=O)(=O)C2=CC=CC(C(=O)NC3(C(=O)[O-])CC3)=C2)C=C1	REAL300002102986	0	43	-2.0	-125.04	378.65	4.99	-120.05
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NC3(C(=O)[O-])CC3)=C2)C=C1	REAL300002102986	1	43	-2.0	-125.04	378.65	4.99	-120.05
O=C([O-])C1(NC(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CS3)C=C2)CC1	REAL300002102991	0	36	-2.0	-116.87	340.83	4.73	-112.14
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(C(=O)[O-])CC2)O1	REAL300002103004	1	38	-2.0	-99.30	336.24	1.96	-97.34
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NC3(C(=O)[O-])CC3)=C2)C=C1	REAL300002103068	1	42	-2.0	-127.29	370.53	6.39	-120.90
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)NC3(C(=O)[O-])CC3)=CC=C2C)C=C1	REAL300002103073	1	45	-2.0	-127.76	385.95	7.17	-120.59
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NC3(C(=O)[O-])CC3)C=C2)=CC=C1F	REAL300002103076	1	42	-2.0	-105.81	375.63	6.43	-99.38
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300002103077	1	42	-2.0	-112.05	370.78	6.57	-105.48
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300002103094	0	43	-2.0	-110.52	378.31	5.05	-105.47
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2)C=C1C(=O)NC1(C(=O)[O-])CC1	REAL300002103095	1	42	-2.0	-99.82	371.61	6.31	-93.51
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)NC3(C(=O)[O-])CC3)=CC=C2C)=C1	REAL300002103096	1	45	-2.0	-128.12	385.95	7.15	-120.97
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)NC3(C(=O)[O-])CC3)=C2)=C1	REAL300002103097	1	42	-2.0	-127.81	370.51	6.38	-121.43
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)NC3(C(=O)[O-])CC3)=C2)=C1	REAL300002103098	1	45	-2.0	-106.73	386.57	6.93	-99.80
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NC3(C(=O)[O-])CC3)=C2)=C1	REAL300002103101	1	45	-2.0	-121.43	386.00	7.16	-114.27
O=C([O-])C1(NC(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CS3)=C2)CC1	REAL300002103178	0	36	-2.0	-119.72	341.03	4.71	-115.01
O=C([O-])C1(NC(=O)CC2=CC=C([N-]S(=O)(=O)C3=CC=CS3)C=C2)CC1	REAL300002103179	0	39	-2.0	-128.44	365.69	5.39	-123.05
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2(C(=O)[O-])CC2)=CS1	REAL300002103360	1	36	-2.0	-126.44	322.57	3.91	-122.53
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NC3(C(=O)[O-])CC3)C=C2)C=C1	REAL300002103410	1	43	-2.0	-105.67	378.60	5.00	-100.67
CC1=C(CC(=O)NC2(C(=O)[O-])CC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002103476	1	38	-2.0	-135.18	332.53	4.08	-131.10
O=C([O-])C1(NC(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3)C=C2)CC1	REAL300002103584	1	39	-2.0	-106.66	349.07	5.71	-100.95
O=C([O-])C1(NC(=O)C2=CC(Br)=C([O-])C(Br)=C2)CC1	REAL300002103856	0	25	-2.0	-100.52	268.74	5.04	-95.48
O=C([O-])C1(NC(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=NC=C3)C=C2)CC1	REAL300002103952	1	38	-2.0	-102.86	344.12	3.94	-98.92
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CC3)=N2)=C1	REAL300002103964	0	41	-2.0	-141.62	348.94	6.90	-134.72
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CC3)=N2)C=C1	REAL300002103965	0	41	-2.0	-140.58	348.93	6.91	-133.67
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2(C(=O)[O-])CC2)=N1	REAL300002103985	0	35	-2.0	-136.93	316.46	6.00	-130.93
O=C([O-])C1(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CC1	REAL300002103988	0	32	-2.0	-138.71	295.15	5.05	-133.66
O=C([O-])C1(NC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)CC1	REAL300002104004	0	32	-2.0	-105.33	310.64	3.16	-102.17
O=C([O-])C1(NC(=O)C2=CN=C(I)C([O-])=C2)CC1	REAL300002104020	0	24	-2.0	-108.30	249.88	2.89	-105.41
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CC3)=N2)=C1	REAL300002104039	0	35	-2.0	-145.53	313.49	5.63	-139.90
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2(C(=O)[O-])CC2)=N1	REAL300002104040	0	38	-2.0	-143.86	329.99	6.71	-137.15
CC1=C(CC(=O)NC2(C(=O)[O-])CC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002104048	1	38	-2.0	-133.76	332.71	4.07	-129.69
O=C([O-])C1(NC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])CC1	REAL300002104089	0	35	-2.0	-144.34	318.63	6.42	-137.92
COC1=CC=C(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CC3)=N2)C=C1	REAL300002104093	0	36	-2.0	-140.24	318.21	4.29	-135.95
CC1=C(CCC(=O)NC(C(=O)[O-])C(C)C)C(=O)[N-]C(N2CCOCC2)=N1	REAL300002116975	1	50	-2.0	-106.39	395.38	5.74	-100.65
CC(C)C(NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1)C(=O)[O-]	REAL300002117393	1	44	-2.0	-108.61	383.31	5.81	-102.80
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300002117451	1	42	-2.0	-111.95	362.64	8.96	-102.99
CC(C)C(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300002117496	1	44	-2.0	-100.97	388.03	6.08	-94.89
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300002117498	1	47	-2.0	-100.51	401.69	6.76	-93.75
CC(C)C(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300002117587	1	44	-2.0	-106.91	376.04	5.85	-101.06
CC(C)C(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300002117588	1	44	-2.0	-112.41	376.20	5.84	-106.57
CC1=CC(C(=O)NC(C(=O)[O-])C(C)C)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300002117598	0	40	-2.0	-91.44	357.46	4.03	-87.41
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NC(C(=O)[O-])C(C)C)C=C2)C=C1	REAL300002117698	1	47	-2.0	-101.42	403.19	6.66	-94.76
CC(C)C(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300002117765	0	41	-2.0	-108.76	373.55	5.01	-103.75
CC(C)C(NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300002117782	1	43	-2.0	-96.67	365.41	2.26	-94.41
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C(C)C)O1	REAL300002117783	1	34	-2.0	-96.78	313.52	-0.19	-96.97
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NC(C(=O)[O-])C(C)C)=C2)C=C1	REAL300002117877	1	47	-2.0	-115.33	397.62	6.50	-108.83
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)NC(C(=O)[O-])C(C)C)=C2)=C1	REAL300002117904	1	47	-2.0	-115.28	401.30	6.69	-108.59
CC(C)C(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C(=O)[O-]	REAL300002117992	0	41	-2.0	-110.72	368.15	4.86	-105.86
CC(C)C(NC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300002117993	0	44	-2.0	-115.19	398.39	5.67	-109.52
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(C(=O)[O-])C(C)C)=CS1	REAL300002118215	1	41	-2.0	-109.97	352.40	4.21	-105.76
CC1=C(CC(=O)NC(C(=O)[O-])C(C)C)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002118361	1	43	-2.0	-127.65	366.11	4.41	-123.24
CC(C)C(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300002118490	1	44	-2.0	-100.27	381.79	6.00	-94.27
CC(C)C(NC(=O)C1=CC(Br)=C([O-])C(Br)=C1)C(=O)[O-]	REAL300002118875	0	30	-2.0	-94.67	297.11	5.08	-89.59
CC(C)C(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300002118912	1	33	-2.0	-118.42	292.88	6.34	-112.08
CC(C)C(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300002118968	0	36	-2.0	-102.89	319.26	2.14	-100.75
CC(C)C(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300002119009	1	43	-2.0	-96.40	371.90	4.00	-92.40
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C(C)C)=N2)=C1	REAL300002119023	0	46	-2.0	-132.19	378.86	7.18	-125.01
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C(C)C)=N2)C=C1	REAL300002119024	0	46	-2.0	-131.45	376.06	7.01	-124.44
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(C(=O)[O-])C(C)C)=N1	REAL300002119060	0	40	-2.0	-127.54	343.28	6.05	-121.49
CC(C)C(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300002119063	0	37	-2.0	-128.03	325.01	5.33	-122.70
CC(C)C(NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300002119084	0	37	-2.0	-96.68	343.34	3.42	-93.26
CC(C)C(NC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300002119110	0	29	-2.0	-99.35	280.67	3.19	-96.16
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C(C)C)=N2)=C1	REAL300002119134	0	40	-2.0	-135.95	340.29	5.68	-130.27
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(C(=O)[O-])C(C)C)=N1	REAL300002119135	0	43	-2.0	-134.05	359.86	6.98	-127.07
CC1=C(CC(=O)NC(C(=O)[O-])C(C)C)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002119149	1	43	-2.0	-126.17	359.80	4.19	-121.98
CCOC1=CC(C(=O)NC(C(=O)[O-])C(C)C)=CC(Cl)=C1[O-]	REAL300002119202	1	37	-2.0	-102.39	327.73	5.59	-96.80
CC(C)C(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300002119205	0	40	-2.0	-136.06	348.50	6.70	-129.36
COC1=CC=C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C(C)C)=N2)C=C1	REAL300002119208	0	41	-2.0	-131.12	345.35	4.39	-126.73
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C(=O)[O-])C(C)C)=CO1	REAL300002119217	1	34	-2.0	-102.70	306.74	-0.45	-103.15
CC(C)C(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300002119566	0	30	-2.0	-113.95	285.35	6.39	-107.56
CCC1CCC(NC(=O)C2=CC=C(S(=O)(=O)[N-]C)O2)(C(=O)[O-])CC1	REAL300002120933	1	44	-2.0	-98.03	358.72	2.23	-95.80
CCC1CCC(NC(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)(C(=O)[O-])CC1	REAL300002121399	1	51	-2.0	-124.86	406.78	7.28	-117.58
CCC1CCC(NC(=O)CC2=C(C)N=C(C3=CC=CN=C3)[N-]C2=O)(C(=O)[O-])CC1	REAL300002121582	1	53	-2.0	-136.14	416.76	7.45	-128.69
CCC1CCC(NC(=O)C2=CC=C([O-])C(F)=C2)(C(=O)[O-])CC1	REAL300002122471	1	40	-2.0	-103.66	312.09	6.44	-97.22
CCC1CCC(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])(C(=O)[O-])CC1	REAL300002122481	1	43	-2.0	-126.32	342.43	8.52	-117.80
CCC1CCC(NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)(C(=O)[O-])CC1	REAL300002122565	0	46	-2.0	-107.00	367.33	4.55	-102.45
CCC1CCC(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)(C(=O)[O-])CC1	REAL300002122590	1	45	-2.0	-113.90	345.31	5.89	-108.01
CCC1CCC(NC(=O)C2=NN(C3=CC=CC(C(C)C)=C3)C=C2[O-])(C(=O)[O-])CC1	REAL300002122639	0	56	-2.0	-140.61	426.93	9.61	-131.00
CCC1CCC(NC(=O)C2=NN(C3=CC=C(C(C)C)C=C3)C=C2[O-])(C(=O)[O-])CC1	REAL300002122640	0	56	-2.0	-139.31	426.86	9.61	-129.70
CCC1CCC(NC(=O)C2=NN(C3=CC=C(F)C=C3C)C=C2[O-])(C(=O)[O-])CC1	REAL300002122706	0	50	-2.0	-135.62	394.41	8.71	-126.91
CCC1CCC(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])(C(=O)[O-])CC1	REAL300002122711	0	47	-2.0	-136.67	373.07	7.75	-128.92
CCC1CCC(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)(C(=O)[O-])CC1	REAL300002122740	1	45	-2.0	-142.55	352.58	8.85	-133.70
CCC1CCC(NC(=O)C2=NN(C3=CC(C)=CC=C3F)C=C2[O-])(C(=O)[O-])CC1	REAL300002122873	0	50	-2.0	-144.19	391.41	8.34	-135.85
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2(C(=O)[O-])CCC(CC)CC2)=N1	REAL300002122874	0	53	-2.0	-142.74	407.90	9.42	-133.32
CCC1CCC(NC(=O)CC2=C(C)N=C(C3=CC=NC=C3)[N-]C2=O)(C(=O)[O-])CC1	REAL300002122932	1	53	-2.0	-134.94	416.94	7.44	-127.50
CCC1CCC(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)(C(=O)[O-])CC1	REAL300002122987	0	40	-2.0	-101.60	328.10	6.99	-94.61
CCC1CCC(NC(=O)C2=C(OC)C(=O)[N-]C(=O)N2)(C(=O)[O-])CC1	REAL300002122998	1	43	-2.0	-101.45	334.05	1.60	-99.85
CCC1CCC(NC(=O)CCCC2=N[N-]N=N2)(C(=O)[O-])CC1	REAL300002123072	0	43	-2.0	-112.09	337.39	5.97	-106.12
CCC1CCC(NC(=O)CCCC2=NN=N[N-]2)(C(=O)[O-])CC1	REAL300002123072	1	43	-2.0	-112.15	337.45	5.99	-106.16
CCC1CCC(NC(=O)C2=CC=C([O-])C(Cl)=C2)(C(=O)[O-])CC1	REAL300002123102	0	40	-2.0	-101.72	321.88	6.94	-94.78
CCOC1=CC(C(=O)NC2(C(=O)[O-])CCC(CC)CC2)=CC(Cl)=C1[O-]	REAL300002123106	1	47	-2.0	-106.28	372.94	7.96	-98.32
CCC1CCC(NC(=O)C2=NN(C3=CC=C(OC)C=C3)C=C2[O-])(C(=O)[O-])CC1	REAL300002123112	0	51	-2.0	-138.80	396.15	6.98	-131.82
CCC1CCC(NC(=O)C2=COC(S(=O)(=O)[N-]C)=C2)(C(=O)[O-])CC1	REAL300002123127	1	44	-2.0	-107.98	357.86	2.19	-105.79
CCC1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)(C(=O)[O-])CC1	REAL300002123261	0	43	-2.0	-92.78	341.63	5.09	-87.69
CCC1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)(C(=O)[O-])CC1	REAL300002123261	1	43	-2.0	-92.74	341.70	5.09	-87.65
CCC1CCC(NC(=O)C2=CN=C(COC)[N-]C2=O)(C(=O)[O-])CC1	REAL300002123517	1	45	-2.0	-114.05	353.28	4.35	-109.70
CCC1CCC(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)(C(=O)[O-])CC1	REAL300002123559	1	48	-2.0	-112.76	360.95	6.42	-106.34
CCC1CCC(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])(C(=O)[O-])CC1	REAL300002123797	0	40	-2.0	-121.32	336.49	8.56	-112.76
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC3=CC=C(C(=O)[O-])C=C3C2)=C1	REAL300002124899	0	45	-2.0	-105.74	382.16	6.70	-99.04
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC2=CC=C(C(=O)[O-])C=C2C1	REAL300002125168	0	45	-2.0	-106.73	382.36	6.93	-99.80
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC3=CC=C(C(=O)[O-])C=C3C2)O1	REAL300002125590	1	39	-2.0	-111.42	348.43	3.21	-108.21
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC2=CC=C(C(=O)[O-])C=C2C1	REAL300002125833	0	42	-2.0	-105.22	360.66	6.06	-99.16
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC3=CC=C(C(=O)[O-])C=C3C2)=CS1	REAL300002126167	1	46	-2.0	-101.10	393.39	7.64	-93.46
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCC2=CC=C(C(=O)[O-])C=C2C1	REAL300002126383	0	42	-2.0	-100.92	367.16	6.11	-94.81
CC1=C(C(=O)N2CCC3=CC=C(C(=O)[O-])C=C3C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300002126470	1	48	-2.0	-111.36	392.97	7.44	-103.92
O=C([O-])C1=CC=C2CCN(C(=O)C3=CC=C([O-])C(F)=C3)CC2=C1	REAL300002127515	1	35	-2.0	-103.68	304.59	7.13	-96.55
O=C([O-])C1=CC=C2CCN(C(=O)C3=CC=C(C(F)(F)F)C=C3[O-])CC2=C1	REAL300002127528	1	38	-2.0	-103.71	336.83	8.65	-95.06
O=C([O-])C1=CC=C2CCN(C(=O)CCC3=N[N-]N=N3)CC2=C1	REAL300002127562	0	35	-2.0	-96.42	302.48	5.54	-90.88
O=C([O-])C1=CC=C2CCN(C(=O)CCC3=NN=N[N-]3)CC2=C1	REAL300002127562	1	35	-2.0	-96.44	302.53	5.56	-90.88
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC3=CC=C(C(=O)[O-])C=C3C2)C=N1	REAL300002127651	0	41	-2.0	-107.93	358.29	5.07	-102.86
O=C([O-])C1=CC=C2CCN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)CC2=C1	REAL300002127686	1	40	-2.0	-108.85	344.40	6.51	-102.34
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC3=CC=C(C(=O)[O-])C=C3C2)=N1	REAL300002127840	0	45	-2.0	-111.16	385.76	9.97	-101.19
O=C([O-])C1=CC=C2CCN(C(=O)C3=NN(C4=CC=CC(F)=C4)C=C3[O-])CC2=C1	REAL300002127845	0	42	-2.0	-110.02	363.26	9.02	-101.00
O=C([O-])C1=CC=C2CCN(C(=O)C3=C([O-])C4=CC=CC=C4C=N3)CC2=C1	REAL300002127887	1	40	-2.0	-111.08	336.26	10.10	-100.98
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC4=CC=C(C(=O)[O-])C=C4C3)=N2)=C1	REAL300002128054	0	45	-2.0	-115.73	381.18	9.61	-106.12
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC3=CC=C(C(=O)[O-])C=C3C2)=N1	REAL300002128055	0	48	-2.0	-113.85	395.18	10.51	-103.34
O=C([O-])C1=CC=C2CCN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)CC2=C1	REAL300002128194	0	35	-2.0	-99.36	318.35	7.61	-91.75
COC1=C(C(=O)N2CCC3=CC=C(C(=O)[O-])C=C3C2)NC(=O)[N-]C1=O	REAL300002128211	1	38	-2.0	-105.25	333.15	1.62	-103.63
O=C([O-])C1=CC=C2CCN(C(=O)CCCC3=N[N-]N=N3)CC2=C1	REAL300002128311	0	38	-2.0	-97.20	323.99	6.32	-90.88
O=C([O-])C1=CC=C2CCN(C(=O)CCCC3=NN=N[N-]3)CC2=C1	REAL300002128311	1	38	-2.0	-97.18	324.05	6.34	-90.84
O=C([O-])C1=CC=C2CCN(C(=O)C3=CC=C([O-])C(Cl)=C3)CC2=C1	REAL300002128350	0	35	-2.0	-99.93	314.38	7.60	-92.33
CCOC1=CC(C(=O)N2CCC3=CC=C(C(=O)[O-])C=C3C2)=CC(Cl)=C1[O-]	REAL300002128354	1	42	-2.0	-103.94	362.99	8.57	-95.37
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC4=CC=C(C(=O)[O-])C=C4C3)=N2)C=C1	REAL300002128363	0	46	-2.0	-112.02	385.91	8.23	-103.79
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC3=CC=C(C(=O)[O-])C=C3C2)=CO1	REAL300002128387	1	39	-2.0	-100.28	346.98	2.94	-97.34
CC1=C(C(=O)N2CCC3=CC=C(C(=O)[O-])C=C3C2)C2=C([N-]C=NC2=O)O1	REAL300002128490	0	39	-2.0	-103.86	342.15	4.98	-98.88
O=C([O-])C1=CC=C2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2=C1	REAL300002128549	0	38	-2.0	-96.21	331.32	6.57	-89.64
O=C([O-])C1=CC=C2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2=C1	REAL300002128549	1	38	-2.0	-96.25	331.39	6.58	-89.67
COCC1=NC=C(C(=O)N2CCC3=CC=C(C(=O)[O-])C=C3C2)C(=O)[N-]1	REAL300002128885	1	40	-2.0	-107.60	346.25	4.17	-103.43
O=C([O-])C1=CC=C2CCN(C(=O)C3=CN=C(C4CCC4)[N-]C3=O)CC2=C1	REAL300002128934	1	43	-2.0	-108.81	360.01	7.14	-101.67
O=C([O-])C1=CC=C2CCN(C(=O)C3=CC(Cl)=CC(Cl)=C3[O-])CC2=C1	REAL300002129260	0	35	-2.0	-100.35	330.91	8.72	-91.63
CC1=C(CCC(=O)N2CCC(C)(C(=O)[O-])CC2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300002130130	1	54	-2.0	-98.36	412.90	7.52	-90.84
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC(C)(C(=O)[O-])CC2)=C1	REAL300002130483	0	44	-2.0	-107.33	356.47	4.75	-102.58
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300002130795	0	44	-2.0	-108.26	356.55	4.99	-103.27
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCC(C)(C(=O)[O-])CC2)C=C1	REAL300002130845	1	46	-2.0	-115.02	377.15	10.43	-104.59
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(C)(C(=O)[O-])CC2)O1	REAL300002131297	1	47	-2.0	-97.19	377.87	3.66	-93.53
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(C)(C(=O)[O-])CC2)O1	REAL300002131298	1	38	-2.0	-96.15	322.41	1.24	-94.91
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC(C)(C(=O)[O-])CC2)=C1	REAL300002131529	0	48	-2.0	-114.91	392.29	3.03	-111.88
CC1(C(=O)[O-])CCN(C(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)CC1	REAL300002131575	0	41	-2.0	-106.76	335.08	4.09	-102.67
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC(C)(C(=O)[O-])CC2)=CS1	REAL300002131949	1	45	-2.0	-103.17	367.06	5.72	-97.45
CC1(C(=O)[O-])CCN(C(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)CC1	REAL300002132184	0	41	-2.0	-99.95	341.48	4.17	-95.78
CC1=C(CC(=O)N2CCC(C)(C(=O)[O-])CC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002132189	1	47	-2.0	-112.27	377.02	5.89	-106.38
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300002132193	0	47	-2.0	-108.88	378.05	5.78	-103.10
CC1=C(C(=O)N2CCC(C)(C(=O)[O-])CC2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300002132264	1	47	-2.0	-111.43	367.37	5.51	-105.92
CC1(C(=O)[O-])CCN(C(=O)C2=CC3=CC=CC=C3C=C2[N-]S(C)(=O)=O)CC1	REAL300002133014	0	47	-2.0	-111.84	380.19	6.38	-105.46
CC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CC1	REAL300002133209	1	37	-2.0	-107.21	311.17	6.40	-100.81
CC1(C(=O)[O-])CCN(C(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)CC1	REAL300002133308	0	40	-2.0	-100.92	334.45	3.33	-97.59
CC1(C(=O)[O-])CCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)CC1	REAL300002133339	1	39	-2.0	-98.19	317.56	4.63	-93.56
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC(C)(C(=O)[O-])CC3)=N2)=C1	REAL300002133393	0	50	-2.0	-115.36	390.58	8.89	-106.47
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC(C)(C(=O)[O-])CC3)=N2)C=C1	REAL300002133394	0	50	-2.0	-114.46	390.74	8.93	-105.53
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300002133470	0	44	-2.0	-115.81	362.56	7.49	-108.32
CC1(C(=O)[O-])CCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CC1	REAL300002133475	0	41	-2.0	-113.41	336.79	7.03	-106.38
CC1(C(=O)[O-])CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)CC1	REAL300002133499	1	39	-2.0	-114.64	310.01	8.14	-106.50
CC1(C(=O)[O-])CCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)CC1	REAL300002133519	0	41	-2.0	-84.64	355.81	4.62	-80.02
CC1(C(=O)[O-])CCN(C(=O)C2=CN=C(I)C([O-])=C2)CC1	REAL300002133568	0	33	-2.0	-87.97	294.86	4.36	-83.61
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC(C)(C(=O)[O-])CC3)=N2)=C1	REAL300002133631	0	44	-2.0	-118.76	355.29	7.67	-111.09
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300002133632	0	47	-2.0	-121.40	376.29	8.14	-113.26
CC1=C(CC(=O)N2CCC(C)(C(=O)[O-])CC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002133692	1	47	-2.0	-111.03	377.20	5.87	-105.16
CC1(C(=O)[O-])CCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)CC1	REAL300002133735	0	34	-2.0	-91.53	294.18	5.76	-85.77
COC1=C(C(=O)N2CCC(C)(C(=O)[O-])CC2)NC(=O)[N-]C1=O	REAL300002133743	1	37	-2.0	-92.46	307.12	-0.31	-92.77
CCOC1=CC(C(=O)N2CCC(C)(C(=O)[O-])CC2)=CC(Cl)=C1[O-]	REAL300002133850	1	41	-2.0	-95.82	340.22	6.77	-89.05
CC1(C(=O)[O-])CCN(C(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])CC1	REAL300002133854	0	44	-2.0	-122.23	365.65	7.86	-114.37
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC(C)(C(=O)[O-])CC3)=N2)C=C1	REAL300002133862	0	45	-2.0	-114.03	360.02	6.30	-107.73
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(C)(C(=O)[O-])CC2)=CO1	REAL300002133882	1	38	-2.0	-92.71	322.13	1.04	-91.67
CC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300002134013	0	37	-2.0	-87.01	305.50	4.66	-82.35
CC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300002134013	1	37	-2.0	-87.01	305.57	4.67	-82.34
COCC1=NC=C(C(=O)N2CCC(C)(C(=O)[O-])CC2)C(=O)[N-]1	REAL300002134285	1	39	-2.0	-94.77	312.23	2.11	-92.66
CC1(C(=O)[O-])CCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)CC1	REAL300002134324	1	42	-2.0	-97.92	333.41	5.17	-92.75
CC1(C(=O)[O-])CCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300002134585	0	34	-2.0	-102.72	305.24	6.46	-96.26
CC1=C(C(=O)N2CCC(C)(C(=O)[O-])CC2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300002134846	0	42	-2.0	-114.02	347.67	4.58	-109.44
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300002135711	0	44	-2.0	-109.54	385.71	5.70	-103.84
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCC1=CC=CC(C(=O)[O-])=C1	REAL300002136009	0	44	-2.0	-110.56	385.79	5.93	-104.63
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCCC2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300002136054	1	46	-2.0	-111.84	407.77	10.84	-101.00
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCCC2=CC=CC(C(=O)[O-])=C2)O1	REAL300002136484	1	47	-2.0	-96.05	412.21	4.14	-91.91
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCCC2=CC=CC(C(=O)[O-])=C2)O1	REAL300002136485	1	38	-2.0	-95.49	356.76	1.73	-93.76
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCC1=CC=CC(C(=O)[O-])=C1	REAL300002136754	0	41	-2.0	-109.21	364.32	5.03	-104.18
CC(C)C(=O)[N-]C1=NC(CC(=O)NCCC2=CC=CC(C(=O)[O-])=C2)=CS1	REAL300002137104	1	45	-2.0	-111.89	398.50	6.13	-105.76
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCCC1=CC=CC(C(=O)[O-])=C1	REAL300002137340	0	41	-2.0	-102.78	370.73	5.09	-97.69
CC1=C(CC(=O)NCCC2=CC=CC(C(=O)[O-])=C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002137343	1	47	-2.0	-117.90	409.36	6.33	-111.57
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCC1=CC=CC(C(=O)[O-])=C1	REAL300002137346	0	47	-2.0	-111.01	407.28	6.71	-104.30
CC1=C(C(=O)NCCC2=CC=CC(C(=O)[O-])=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300002137427	1	47	-2.0	-98.61	388.40	6.51	-92.10
O=C([O-])C1=CC=CC(CCNC(=O)C2=CC=C([O-])C(F)=C2)=C1	REAL300002138487	1	34	-2.0	-99.81	310.13	5.95	-93.86
O=C([O-])C1=CC=CC(CCNC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])=C1	REAL300002138498	1	37	-2.0	-110.42	340.47	8.50	-101.92
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCCC2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300002138605	0	40	-2.0	-101.60	365.37	4.05	-97.55
O=C([O-])C1=CC=CC(CCNC(=O)C2=CN=C(C3CC3)[N-]C2=O)=C1	REAL300002138641	1	39	-2.0	-97.81	343.18	5.46	-92.35
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCCC3=CC=CC(C(=O)[O-])=C3)=N2)=C1	REAL300002138699	0	50	-2.0	-120.30	424.97	9.10	-111.20
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCCC3=CC=CC(C(=O)[O-])=C3)=N2)C=C1	REAL300002138700	0	50	-2.0	-119.30	424.90	9.10	-110.20
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300002138795	0	44	-2.0	-116.32	387.03	8.18	-108.14
O=C([O-])C1=CC=CC(CCNC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])=C1	REAL300002138800	0	41	-2.0	-118.12	371.11	7.25	-110.87
O=C([O-])C1=CC=CC(CCNC(=O)C2=C([O-])C3=CC=CC=C3C=N2)=C1	REAL300002138838	1	39	-2.0	-118.60	344.27	8.13	-110.47
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCCC3=CC=CC(C(=O)[O-])=C3)=N2)=C1	REAL300002139004	0	44	-2.0	-124.10	389.46	7.83	-116.27
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300002139005	0	47	-2.0	-121.79	405.97	8.91	-112.88
CC1=C(CC(=O)NCCC2=CC=CC(C(=O)[O-])=C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002139082	1	47	-2.0	-116.80	408.63	6.28	-110.52
O=C([O-])C1=CC=CC(CCNC(=O)C2=CC(F)=C([O-])C(Cl)=C2)=C1	REAL300002139142	0	34	-2.0	-97.35	326.14	6.50	-90.85
COC1=C(C(=O)NCCC2=CC=CC(C(=O)[O-])=C2)NC(=O)[N-]C1=O	REAL300002139158	1	37	-2.0	-100.28	332.28	1.59	-98.69
O=C([O-])C1=CC(CCNC(=O)CCCC2=N[N-]N=N2)=CC=C1	REAL300002139259	0	37	-2.0	-106.04	329.08	4.81	-101.23
O=C([O-])C1=CC(CCNC(=O)CCCC2=NN=N[N-]2)=CC=C1	REAL300002139259	1	37	-2.0	-106.06	329.13	4.82	-101.24
O=C([O-])C1=CC=CC(CCNC(=O)C2=CC=C([O-])C(Cl)=C2)=C1	REAL300002139295	0	34	-2.0	-96.78	319.93	6.45	-90.33
CCOC1=CC(C(=O)NCCC2=CC=CC(C(=O)[O-])=C2)=CC(Cl)=C1[O-]	REAL300002139298	1	41	-2.0	-101.12	370.98	7.48	-93.64
COC1=CC=C(N2C=C([O-])C(C(=O)NCCC3=CC=CC(C(=O)[O-])=C3)=N2)C=C1	REAL300002139308	0	45	-2.0	-119.29	394.18	6.48	-112.81
C[N-]S(=O)(=O)C1=CC(C(=O)NCCC2=CC=CC(C(=O)[O-])=C2)=CO1	REAL300002139332	1	38	-2.0	-105.01	355.90	1.70	-103.31
O=C([O-])C1=CC=CC(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300002139498	0	37	-2.0	-91.98	339.67	4.60	-87.38
O=C([O-])C1=CC=CC(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300002139498	1	37	-2.0	-91.99	339.74	4.61	-87.38
COCC1=NC=C(C(=O)NCCC2=CC=CC(C(=O)[O-])=C2)C(=O)[N-]1	REAL300002139830	1	39	-2.0	-97.61	345.03	3.10	-94.51
O=C([O-])C1=CC=CC(CCNC(=O)C2=CN=C(C3CCC3)[N-]C2=O)=C1	REAL300002139878	1	42	-2.0	-97.76	358.93	6.01	-91.75
O=C([O-])C1=CC=CC(CCNC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=C1	REAL300002140199	0	34	-2.0	-106.05	334.53	8.54	-97.51
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCCCCCCCC(=O)[O-])=C1	REAL300002141441	0	49	-2.0	-98.83	412.44	5.95	-92.88
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCCCCCCC(=O)[O-]	REAL300002141750	0	49	-2.0	-99.78	412.51	6.18	-93.60
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCCCCCCCC(=O)[O-])C=C1	REAL300002141797	1	51	-2.0	-105.33	434.50	11.09	-94.24
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCCCCCCCC(=O)[O-])O1	REAL300002142233	1	52	-2.0	-89.41	437.11	4.51	-84.90
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCCCCCCCC(=O)[O-])O1	REAL300002142234	1	43	-2.0	-89.23	383.49	1.98	-87.25
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCCCCCCC(=O)[O-]	REAL300002142507	0	46	-2.0	-98.50	391.05	5.28	-93.22
CC(C)C(=O)[N-]C1=NC(CC(=O)NCCCCCCCC(=O)[O-])=CS1	REAL300002142858	1	50	-2.0	-98.92	425.23	6.38	-92.54
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCCCCCCCC(=O)[O-]	REAL300002143096	0	46	-2.0	-92.72	397.45	5.35	-87.37
CC1=C(CC(=O)NCCCCCCCC(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002143099	1	52	-2.0	-103.81	436.09	6.58	-97.23
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCCCCCCC(=O)[O-]	REAL300002143102	0	52	-2.0	-100.32	434.01	6.96	-93.36
CC1=C(C(=O)NCCCCCCCC(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300002143183	1	52	-2.0	-90.90	415.13	6.76	-84.14
O=C([O-])CCCCCCCNC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300002144216	1	42	-2.0	-99.20	367.20	8.75	-90.45
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCCCCCCCC(=O)[O-])C=N1	REAL300002144324	0	45	-2.0	-93.50	392.09	4.31	-89.19
O=C([O-])CCCCCCCNC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300002144358	1	44	-2.0	-90.07	369.91	5.71	-84.36
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCCCCCCCC(=O)[O-])=N2)=C1	REAL300002144417	0	55	-2.0	-109.31	451.69	9.35	-99.96
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCCCCCCCC(=O)[O-])=N2)C=C1	REAL300002144418	0	55	-2.0	-108.37	451.62	9.35	-99.02
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCCCCCCCC(=O)[O-])=N1	REAL300002144509	0	49	-2.0	-105.85	419.16	8.45	-97.40
O=C([O-])CCCCCCCNC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300002144514	0	46	-2.0	-107.09	397.84	7.50	-99.59
O=C([O-])CCCCCCCNC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300002144546	1	44	-2.0	-106.98	371.00	8.38	-98.60
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCCCCCCCC(=O)[O-])=N2)=C1	REAL300002144705	0	49	-2.0	-112.93	416.18	8.08	-104.85
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCCCCCCCC(=O)[O-])=N1	REAL300002144706	0	52	-2.0	-110.93	432.67	9.17	-101.76
CC1=C(CC(=O)NCCCCCCCC(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002144777	1	52	-2.0	-102.49	435.36	6.53	-95.96
O=C([O-])CCCCCCCNC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300002144829	0	39	-2.0	-89.71	352.86	6.77	-82.94
COC1=C(C(=O)NCCCCCCCC(=O)[O-])NC(=O)[N-]C1=O	REAL300002144842	1	42	-2.0	-92.51	359.01	1.84	-90.67
O=C([O-])CCCCCCCNC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300002144971	0	39	-2.0	-89.91	346.65	6.69	-83.22
CCOC1=CC(C(=O)NCCCCCCCC(=O)[O-])=CC(Cl)=C1[O-]	REAL300002144974	1	46	-2.0	-93.06	397.71	7.73	-85.33
COC1=CC=C(N2C=C([O-])C(C(=O)NCCCCCCCC(=O)[O-])=N2)C=C1	REAL300002144986	0	50	-2.0	-108.49	420.91	6.73	-101.76
C[N-]S(=O)(=O)C1=CC(C(=O)NCCCCCCCC(=O)[O-])=CO1	REAL300002145009	1	43	-2.0	-95.77	382.63	1.95	-93.82
O=C([O-])CCCCCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300002145165	0	42	-2.0	-84.75	366.40	4.85	-79.90
O=C([O-])CCCCCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300002145165	1	42	-2.0	-84.70	366.47	4.86	-79.84
COCC1=NC=C(C(=O)NCCCCCCCC(=O)[O-])C(=O)[N-]1	REAL300002145482	1	44	-2.0	-89.59	371.75	3.35	-86.24
O=C([O-])CCCCCCCNC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300002145526	1	47	-2.0	-90.04	385.66	6.26	-83.78
O=C([O-])CCCCCCCNC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300002145828	0	39	-2.0	-94.95	361.25	8.79	-86.16
CC1=C(C(=O)NCCCCCCCC(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300002146127	0	47	-2.0	-94.04	395.36	5.85	-88.19
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCCCCCCCC(=O)[O-])=C1	REAL300002147036	0	49	-2.0	-98.83	412.44	5.95	-92.88
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCCCCCCC(=O)[O-]	REAL300002147345	0	49	-2.0	-99.78	412.51	6.18	-93.60
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCCCCCCCC(=O)[O-])C=C1	REAL300002147392	1	51	-2.0	-105.33	434.50	11.09	-94.24
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCCCCCCCC(=O)[O-])O1	REAL300002147828	1	52	-2.0	-89.41	437.11	4.51	-84.90
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCCCCCCCC(=O)[O-])O1	REAL300002147829	1	43	-2.0	-89.23	383.49	1.98	-87.25
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCCCCCCC(=O)[O-]	REAL300002148102	0	46	-2.0	-98.50	391.05	5.28	-93.22
CC(C)C(=O)[N-]C1=NC(CC(=O)NCCCCCCCC(=O)[O-])=CS1	REAL300002148453	1	50	-2.0	-98.92	425.23	6.38	-92.54
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCCCCCCCC(=O)[O-]	REAL300002148691	0	46	-2.0	-92.72	397.45	5.35	-87.37
CC1=C(CC(=O)NCCCCCCCC(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002148694	1	52	-2.0	-103.81	436.09	6.58	-97.23
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCCCCCCC(=O)[O-]	REAL300002148697	0	52	-2.0	-100.32	434.01	6.96	-93.36
CC1=C(C(=O)NCCCCCCCC(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300002148778	1	52	-2.0	-90.90	415.13	6.76	-84.14
O=C([O-])CCCCCCCNC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300002149811	1	42	-2.0	-99.20	367.20	8.75	-90.45
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCCCCCCCC(=O)[O-])C=N1	REAL300002149919	0	45	-2.0	-93.50	392.09	4.31	-89.19
O=C([O-])CCCCCCCNC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300002149953	1	44	-2.0	-90.07	369.91	5.71	-84.36
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCCCCCCCC(=O)[O-])=N2)=C1	REAL300002150012	0	55	-2.0	-109.31	451.69	9.35	-99.96
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCCCCCCCC(=O)[O-])=N2)C=C1	REAL300002150013	0	55	-2.0	-108.37	451.62	9.35	-99.02
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCCCCCCCC(=O)[O-])=N1	REAL300002150104	0	49	-2.0	-105.85	419.16	8.45	-97.40
O=C([O-])CCCCCCCNC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300002150109	0	46	-2.0	-107.09	397.84	7.50	-99.59
O=C([O-])CCCCCCCNC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300002150141	1	44	-2.0	-106.98	371.00	8.38	-98.60
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCCCCCCCC(=O)[O-])=N2)=C1	REAL300002150300	0	49	-2.0	-112.93	416.18	8.08	-104.85
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCCCCCCCC(=O)[O-])=N1	REAL300002150301	0	52	-2.0	-110.93	432.67	9.17	-101.76
CC1=C(CC(=O)NCCCCCCCC(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002150372	1	52	-2.0	-102.49	435.36	6.53	-95.96
O=C([O-])CCCCCCCNC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300002150424	0	39	-2.0	-89.71	352.86	6.77	-82.94
COC1=C(C(=O)NCCCCCCCC(=O)[O-])NC(=O)[N-]C1=O	REAL300002150437	1	42	-2.0	-92.51	359.01	1.84	-90.67
O=C([O-])CCCCCCCNC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300002150566	0	39	-2.0	-89.91	346.65	6.69	-83.22
CCOC1=CC(C(=O)NCCCCCCCC(=O)[O-])=CC(Cl)=C1[O-]	REAL300002150569	1	46	-2.0	-93.06	397.71	7.73	-85.33
COC1=CC=C(N2C=C([O-])C(C(=O)NCCCCCCCC(=O)[O-])=N2)C=C1	REAL300002150581	0	50	-2.0	-108.49	420.91	6.73	-101.76
C[N-]S(=O)(=O)C1=CC(C(=O)NCCCCCCCC(=O)[O-])=CO1	REAL300002150604	1	43	-2.0	-95.77	382.63	1.95	-93.82
O=C([O-])CCCCCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300002150760	0	42	-2.0	-84.75	366.40	4.85	-79.90
O=C([O-])CCCCCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300002150760	1	42	-2.0	-84.70	366.47	4.86	-79.84
COCC1=NC=C(C(=O)NCCCCCCCC(=O)[O-])C(=O)[N-]1	REAL300002151077	1	44	-2.0	-89.59	371.75	3.35	-86.24
O=C([O-])CCCCCCCNC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300002151121	1	47	-2.0	-90.04	385.66	6.26	-83.78
O=C([O-])CCCCCCCNC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300002151423	0	39	-2.0	-94.95	361.25	8.79	-86.16
CC1=C(C(=O)NCCCCCCCC(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300002151722	0	47	-2.0	-94.04	395.36	5.85	-88.19
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(CCCC(=O)[O-])CC2=CC=CC=C2)O1	REAL300002152966	1	44	-2.0	-111.92	389.26	5.02	-106.90
O=C([O-])CCCN(CC1=CC=CC=C1)C(=O)C1=CC=C([O-])C(F)=C1	REAL300002154377	1	40	-2.0	-101.73	340.54	8.58	-93.15
O=C([O-])CCCN(CC1=CC=CC=C1)C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300002154389	1	43	-2.0	-101.59	373.83	10.90	-90.69
O=C([O-])CCCN(CC1=CC=CC=C1)C(=O)CCC1=N[N-]N=N1	REAL300002154430	0	40	-2.0	-97.80	345.38	7.19	-90.61
O=C([O-])CCCN(CC1=CC=CC=C1)C(=O)CCC1=NN=N[N-]1	REAL300002154430	1	40	-2.0	-97.81	345.44	7.20	-90.61
CS(=O)(=O)[N-]C1=CC=C(C(=O)N(CCCC(=O)[O-])CC2=CC=CC=C2)C=N1	REAL300002154493	0	46	-2.0	-109.97	400.08	6.72	-103.25
O=C([O-])CCCN(CC1=CC=CC=C1)C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300002154515	1	45	-2.0	-118.09	388.77	8.21	-109.88
O=C([O-])CCCN(CC1=CC=CC=C1)C(=O)C1=CN=CC([O-])=C1	REAL300002154547	1	39	-2.0	-107.84	325.26	6.51	-101.33
O=C([O-])CCCN(CC1=CC=CC=C1)C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300002154629	0	47	-2.0	-117.79	400.69	10.60	-107.19
O=C([O-])CCCN(CC1=CC=CC=C1)C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300002154661	1	45	-2.0	-116.32	376.64	12.26	-104.06
O=C([O-])CCCN(CC1=CC=CC=C1)C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300002154898	0	40	-2.0	-98.55	351.65	8.90	-89.65
COC1=C(C(=O)N(CCCC(=O)[O-])CC2=CC=CC=C2)NC(=O)[N-]C1=O	REAL300002154911	1	43	-2.0	-103.56	376.59	3.34	-100.22
O=C([O-])CCCN(CC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL300002154987	0	43	-2.0	-98.35	366.88	7.97	-90.38
O=C([O-])CCCN(CC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL300002154987	1	43	-2.0	-98.35	366.94	7.98	-90.37
O=C([O-])CCCN(CC1=CC=CC=C1)C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300002155018	0	40	-2.0	-97.51	350.33	9.07	-88.44
CCOC1=CC(C(=O)N(CCCC(=O)[O-])CC2=CC=CC=C2)=CC(Cl)=C1[O-]	REAL300002155022	1	47	-2.0	-102.17	401.43	10.10	-92.07
C[N-]S(=O)(=O)C1=CC(C(=O)N(CCCC(=O)[O-])CC2=CC=CC=C2)=CO1	REAL300002155043	1	44	-2.0	-110.49	379.04	4.20	-106.29
O=C([O-])CCCN(CC1=CC=CC=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300002155179	0	43	-2.0	-97.09	373.45	8.68	-88.41
O=C([O-])CCCN(CC1=CC=CC=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300002155179	1	43	-2.0	-97.07	373.52	8.69	-88.38
O=C([O-])CCCN(CC1=CC=CC=C1)C(=O)C1=C[N-]N=CC1=O	REAL300002155400	0	38	-2.0	-89.95	315.46	6.50	-83.45
COCC1=NC=C(C(=O)N(CCCC(=O)[O-])CC2=CC=CC=C2)C(=O)[N-]1	REAL300002155423	1	45	-2.0	-99.52	373.91	5.14	-94.38
O=C([O-])CCCN(CC1=CC=CC=C1)C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300002155465	1	48	-2.0	-118.39	404.53	8.76	-109.63
O=C([O-])CCCN(CC1=CC=CC=C1)C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300002155694	0	40	-2.0	-98.91	365.72	10.98	-87.93
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCCC(CCC(=O)[O-])C2)=C1	REAL300002156823	0	47	-2.0	-105.80	384.19	5.93	-99.87
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(CCC(=O)[O-])C1	REAL300002157133	0	47	-2.0	-104.83	384.30	6.15	-98.68
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCCC(CCC(=O)[O-])C2)C=C1	REAL300002157181	1	49	-2.0	-115.68	404.43	11.54	-104.14
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC(CCC(=O)[O-])C2)O1	REAL300002157622	1	50	-2.0	-113.13	401.69	5.01	-108.12
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC(CCC(=O)[O-])C2)O1	REAL300002157623	1	41	-2.0	-112.56	348.07	2.48	-110.08
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(CCC(=O)[O-])C1	REAL300002157895	0	44	-2.0	-103.42	362.84	5.25	-98.17
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCCC(CCC(=O)[O-])C2)=CS1	REAL300002158253	1	48	-2.0	-107.67	394.81	6.89	-100.78
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCCC(CCC(=O)[O-])C1	REAL300002158493	0	44	-2.0	-98.40	369.21	5.34	-93.06
CC1=C(CC(=O)N2CCCC(CCC(=O)[O-])C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002158496	1	50	-2.0	-111.90	404.73	7.07	-104.83
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(CCC(=O)[O-])C1	REAL300002158499	0	50	-2.0	-105.42	405.80	6.95	-98.47
CC1=C(C(=O)N2CCCC(CCC(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300002158580	1	50	-2.0	-107.68	393.48	6.62	-101.06
O=C([O-])CCC1CCCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300002159621	1	40	-2.0	-106.89	339.95	7.67	-99.22
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCCC(CCC(=O)[O-])C2)C=N1	REAL300002159728	0	43	-2.0	-100.43	361.44	4.46	-95.97
O=C([O-])CCC1CCCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300002159761	1	42	-2.0	-105.74	345.65	5.83	-99.91
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCCC(CCC(=O)[O-])C3)=N2)=C1	REAL300002159820	0	53	-2.0	-118.52	418.10	10.05	-108.47
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCCC(CCC(=O)[O-])C3)=N2)C=C1	REAL300002159821	0	53	-2.0	-117.74	418.07	10.06	-107.68
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCCC(CCC(=O)[O-])C2)=N1	REAL300002159911	0	47	-2.0	-112.98	390.58	8.63	-104.35
O=C([O-])CCC1CCCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1	REAL300002159916	0	44	-2.0	-117.11	364.46	8.21	-108.90
O=C([O-])CCC1CCCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300002159947	1	42	-2.0	-118.25	340.29	8.77	-109.48
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCCC(CCC(=O)[O-])C3)=N2)=C1	REAL300002160102	0	47	-2.0	-122.79	382.67	8.80	-113.99
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCCC(CCC(=O)[O-])C2)=N1	REAL300002160103	0	50	-2.0	-116.69	404.60	9.31	-107.38
CC1=C(CC(=O)N2CCCC(CCC(=O)[O-])C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002160173	1	50	-2.0	-110.55	404.91	7.05	-103.50
O=C([O-])CCC1CCCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300002160224	0	37	-2.0	-91.63	322.95	6.94	-84.69
COC1=C(C(=O)N2CCCC(CCC(=O)[O-])C2)NC(=O)[N-]C1=O	REAL300002160236	1	40	-2.0	-92.39	334.59	0.87	-91.52
O=C([O-])CCC1CCCN(C(=O)C2=CC=C([O-])C(Cl)=C2)C1	REAL300002160364	0	37	-2.0	-99.88	314.60	6.79	-93.09
CCOC1=CC(C(=O)N2CCCC(CCC(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300002160367	1	44	-2.0	-95.06	367.80	7.92	-87.14
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCCC(CCC(=O)[O-])C3)=N2)C=C1	REAL300002160379	0	48	-2.0	-117.67	387.36	7.43	-110.24
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCCC(CCC(=O)[O-])C2)=CO1	REAL300002160402	1	41	-2.0	-90.71	349.08	2.16	-88.55
O=C([O-])CCC1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300002160558	0	40	-2.0	-85.39	333.06	5.80	-79.59
O=C([O-])CCC1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300002160558	1	40	-2.0	-85.42	333.13	5.81	-79.61
COCC1=NC=C(C(=O)N2CCCC(CCC(=O)[O-])C2)C(=O)[N-]1	REAL300002160879	1	42	-2.0	-96.37	342.43	3.33	-93.04
O=C([O-])CCC1CCCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300002160923	1	45	-2.0	-96.86	356.19	6.29	-90.57
O=C([O-])CCC1CCCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300002161222	0	37	-2.0	-98.60	332.73	7.75	-90.85
CC1=C(C(=O)N2CCCC(CCC(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300002161525	0	45	-2.0	-109.58	375.36	5.76	-103.82
CC1=C(CCC(=O)NCC(C)CC(=O)[O-])C(=O)NC(N2CCOCC2)=N1	REAL300002161990	0	50	-2.0	-96.61	399.04	5.63	-90.98
CC1=C(CCC(=O)NCC(C)CC(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300002161990	1	50	-2.0	-96.61	399.04	5.63	-90.98
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC(C)CC(=O)[O-])=C1	REAL300002162309	0	40	-2.0	-96.82	341.19	3.44	-93.38
CC(CNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1)CC(=O)[O-]	REAL300002162560	1	44	-2.0	-94.05	386.97	5.70	-88.35
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(C)CC(=O)[O-]	REAL300002162601	0	40	-2.0	-97.82	341.27	3.66	-94.16
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC(C)CC(=O)[O-])C=C1	REAL300002162639	1	42	-2.0	-102.18	363.26	8.58	-93.60
CC(CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1)CC(=O)[O-]	REAL300002162689	1	44	-2.0	-89.32	386.76	5.72	-83.60
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(C)CC(=O)[O-])C=C1	REAL300002162691	1	47	-2.0	-91.93	400.43	6.41	-85.52
CC(CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)CC(=O)[O-]	REAL300002162806	1	44	-2.0	-95.76	380.36	5.65	-90.11
CC(CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)CC(=O)[O-]	REAL300002162807	1	44	-2.0	-98.45	380.54	5.65	-92.80
CC1=CC(C(=O)NCC(C)CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300002162819	0	40	-2.0	-80.89	361.78	3.83	-77.06
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(C)CC(=O)[O-])C=C2)C=C1	REAL300002162945	1	47	-2.0	-92.61	401.92	6.32	-86.29
CC(CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)CC(=O)[O-]	REAL300002163029	0	41	-2.0	-95.07	372.28	4.65	-90.42
CC(CNC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)CC(=O)[O-]	REAL300002163046	1	43	-2.0	-89.31	365.87	1.99	-87.32
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(C)CC(=O)[O-])O1	REAL300002163047	1	34	-2.0	-89.07	312.25	-0.54	-89.61
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NCC(C)CC(=O)[O-])=C2)C=C1	REAL300002163159	1	47	-2.0	-100.59	401.95	6.30	-94.29
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)NCC(C)CC(=O)[O-])=C2)=C1	REAL300002163198	1	47	-2.0	-101.08	401.95	6.31	-94.77
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC(C)CC(=O)[O-])=C1	REAL300002163270	0	44	-2.0	-102.68	375.91	1.67	-101.01
CC(CNC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)CC(=O)[O-]	REAL300002163318	0	37	-2.0	-96.46	319.80	2.77	-93.69
CC(CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)CC(=O)[O-]	REAL300002163326	0	41	-2.0	-96.78	372.47	4.66	-92.12
CC(CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)CC(=O)[O-]	REAL300002163327	0	44	-2.0	-103.59	397.12	5.33	-98.26
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC(C)CC(=O)[O-])=CS1	REAL300002163641	1	41	-2.0	-97.37	353.99	3.87	-93.50
CC(CNC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)CC(=O)[O-]	REAL300002163815	0	37	-2.0	-90.92	326.21	2.83	-88.09
CC1=C(CC(=O)NCC(C)CC(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002163824	1	43	-2.0	-103.19	364.85	4.07	-99.12
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(C)CC(=O)[O-]	REAL300002163829	0	43	-2.0	-98.30	362.77	4.45	-93.85
CC1=C(C(=O)NCC(C)CC(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300002163880	1	43	-2.0	-94.89	343.88	4.26	-90.63
CC(CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)CC(=O)[O-]	REAL300002163987	1	44	-2.0	-91.91	380.52	5.65	-86.26
CC(CNC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O)CC(=O)[O-]	REAL300002164411	0	43	-2.0	-101.18	365.69	5.03	-96.15
CC(CNC(=O)C1=CC(Br)=C([O-])C(Br)=C1)CC(=O)[O-]	REAL300002164494	0	30	-2.0	-83.04	300.19	4.97	-78.07
CC(CNC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])CC(=O)[O-]	REAL300002164548	1	33	-2.0	-96.82	295.96	6.24	-90.58
CC(CNC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)CC(=O)[O-]	REAL300002164624	0	36	-2.0	-92.96	320.86	1.79	-91.17
CC(CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)CC(=O)[O-]	REAL300002164678	1	43	-2.0	-88.31	375.56	3.87	-84.44
CC(C)C1=CC(N2C=C([O-])C(C(=O)NCC(C)CC(=O)[O-])=N2)=CC=C1	REAL300002164693	0	46	-2.0	-109.77	380.45	6.85	-102.92
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC(C)CC(=O)[O-])=N2)C=C1	REAL300002164694	0	46	-2.0	-108.35	380.39	6.85	-101.50
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC(C)CC(=O)[O-])=N1	REAL300002164748	0	40	-2.0	-105.22	347.92	5.95	-99.27
CC(CNC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])CC(=O)[O-]	REAL300002164751	0	37	-2.0	-106.13	326.60	5.00	-101.13
CC(CNC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)CC(=O)[O-]	REAL300002164779	0	37	-2.0	-83.21	342.07	3.09	-80.12
CC(CNC(=O)C1=CN=C(I)C([O-])=C1)CC(=O)[O-]	REAL300002164810	0	29	-2.0	-86.55	281.32	2.82	-83.73
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC(C)CC(=O)[O-])=N2)=C1	REAL300002164848	0	40	-2.0	-112.49	344.94	5.58	-106.91
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC(C)CC(=O)[O-])=N1	REAL300002164849	0	43	-2.0	-110.81	361.43	6.66	-104.15
CC1=C(CC(=O)NCC(C)CC(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002164873	1	43	-2.0	-101.77	364.12	4.02	-97.75
CCOC1=CC(C(=O)NCC(C)CC(=O)[O-])=CC(Cl)=C1[O-]	REAL300002164946	1	37	-2.0	-90.91	326.47	5.22	-85.69
CC(CNC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])CC(=O)[O-]	REAL300002164950	0	40	-2.0	-113.37	350.09	6.37	-107.00
COC1=CC=C(N2C=C([O-])C(C(=O)NCC(C)CC(=O)[O-])=N2)C=C1	REAL300002164956	0	41	-2.0	-108.45	349.67	4.23	-104.22
C[N-]S(=O)(=O)C1=CC(C(=O)NCC(C)CC(=O)[O-])=CO1	REAL300002164971	1	34	-2.0	-91.57	311.39	-0.55	-92.12
CC(CNC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])CC(=O)[O-]	REAL300002165433	0	30	-2.0	-93.33	290.02	6.28	-87.05
CC1=C(C(=O)NCC(C)CC(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300002165610	0	38	-2.0	-98.05	324.12	3.34	-94.71
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)=C1	REAL300002166356	0	50	-2.0	-100.60	387.26	5.91	-94.69
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(C(C)(C)C(=O)[O-])C1	REAL300002166645	0	50	-2.0	-97.56	389.93	6.10	-91.46
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)O1	REAL300002167089	1	44	-2.0	-87.39	355.60	2.32	-85.07
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)C1	REAL300002167344	0	47	-2.0	-96.27	368.46	5.20	-91.07
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)=CS1	REAL300002167681	1	51	-2.0	-102.07	401.41	6.85	-95.22
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)C1	REAL300002167905	0	47	-2.0	-113.07	371.96	5.33	-107.74
CC1=C(CC(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002167907	1	53	-2.0	-105.41	411.35	7.02	-98.39
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(C(C)(C)C(=O)[O-])C1	REAL300002167910	0	53	-2.0	-98.09	411.43	6.89	-91.20
CC1=C(C(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300002167991	1	53	-2.0	-112.10	402.25	6.65	-105.45
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300002169036	1	40	-2.0	-118.07	313.28	6.30	-111.77
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300002169048	1	43	-2.0	-109.99	346.82	7.70	-102.29
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C1	REAL300002169156	0	46	-2.0	-103.08	369.57	4.45	-98.63
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300002169192	1	45	-2.0	-99.51	353.41	5.82	-93.69
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCCC(C(C)(C)C(=O)[O-])C3)=N2)=C1	REAL300002169249	0	56	-2.0	-116.19	424.88	10.02	-106.17
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCCC(C(C)(C)C(=O)[O-])C3)=N2)C=C1	REAL300002169250	0	56	-2.0	-138.63	426.55	10.07	-128.56
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)=N1	REAL300002169344	0	50	-2.0	-136.10	397.28	8.59	-127.51
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1	REAL300002169349	0	47	-2.0	-137.55	372.68	8.21	-129.34
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300002169390	1	45	-2.0	-115.49	345.90	8.72	-106.77
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCCC(C(C)(C)C(=O)[O-])C3)=N2)=C1	REAL300002169553	0	50	-2.0	-119.55	389.11	8.73	-110.82
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)=N1	REAL300002169554	0	53	-2.0	-140.24	411.29	9.33	-130.91
CC1=C(CC(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002169631	1	53	-2.0	-127.69	415.20	7.13	-120.56
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300002169693	0	40	-2.0	-87.66	328.56	6.89	-80.77
COC1=C(C(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)NC(=O)[N-]C1=O	REAL300002169710	1	43	-2.0	-94.36	341.83	0.84	-93.52
CC(C)(C(=O)[O-])C1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300002169809	0	43	-2.0	-116.79	334.73	5.59	-111.20
CC(C)(C(=O)[O-])C1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300002169809	1	43	-2.0	-116.85	334.79	5.61	-111.24
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2=CC=C([O-])C(Cl)=C2)C1	REAL300002169846	0	40	-2.0	-112.65	323.08	6.79	-105.86
CCOC1=CC(C(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300002169850	1	47	-2.0	-92.47	373.42	7.87	-84.60
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCCC(C(C)(C)C(=O)[O-])C3)=N2)C=C1	REAL300002169860	0	51	-2.0	-138.40	395.86	7.45	-130.95
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)=CO1	REAL300002169884	1	44	-2.0	-98.39	356.80	2.21	-96.18
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300002170047	0	43	-2.0	-87.01	341.59	5.77	-81.24
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300002170047	1	43	-2.0	-86.98	341.65	5.79	-81.19
COCC1=NC=C(C(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)C(=O)[N-]1	REAL300002170380	1	45	-2.0	-108.34	348.47	3.28	-105.06
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300002170428	1	48	-2.0	-110.48	362.23	6.24	-104.24
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300002170747	0	40	-2.0	-97.71	336.05	8.47	-89.24
CC1=C(C(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300002171054	0	48	-2.0	-114.79	382.89	5.75	-109.04
CC1=CC=C(NS(C)(=O)=O)C(C(=O)NC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300002171989	0	42	-2.0	-114.25	369.17	5.10	-109.15
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300002171989	1	42	-2.0	-114.25	369.17	5.10	-109.15
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=CC(OCC(=O)[O-])=C1	REAL300002172287	1	42	-2.0	-115.53	369.24	5.32	-110.21
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300002172333	1	44	-2.0	-101.01	391.39	10.24	-90.77
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC(OCC(=O)[O-])=C2)O1	REAL300002172759	1	45	-2.0	-94.62	394.10	3.65	-90.97
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC(OCC(=O)[O-])=C2)O1	REAL300002172760	1	36	-2.0	-94.19	340.49	1.12	-93.07
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=CC(OCC(=O)[O-])=C1	REAL300002173023	0	39	-2.0	-113.93	347.78	4.42	-109.51
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=CC=CC(OCC(=O)[O-])=C2)=CS1	REAL300002173368	1	43	-2.0	-120.52	382.24	5.53	-114.99
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1=CC=CC(OCC(=O)[O-])=C1	REAL300002173601	0	39	-2.0	-106.30	354.20	4.49	-101.81
CC1=C(CC(=O)NC2=CC=CC(OCC(=O)[O-])=C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002173604	1	45	-2.0	-126.03	392.17	5.67	-120.36
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=CC(OCC(=O)[O-])=C1	REAL300002173607	1	45	-2.0	-116.04	390.74	6.11	-109.93
CC1=C(C(=O)NC2=CC=CC(OCC(=O)[O-])=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300002173688	1	45	-2.0	-94.95	371.54	5.94	-89.01
COC1=CC=C(C(=O)NC2=CC=CC(OCC(=O)[O-])=C2)C([O-])=C1	REAL300002174192	1	36	-2.0	-127.72	314.62	6.10	-121.62
O=C([O-])COC1=CC=CC(NC(=O)C2=CC=C([O-])C(F)=C2)=C1	REAL300002174752	1	32	-2.0	-100.85	293.86	5.34	-95.51
O=C([O-])COC1=CC=CC(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])=C1	REAL300002174763	1	35	-2.0	-118.26	324.19	7.79	-110.47
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=CC(OCC(=O)[O-])=C2)C=N1	REAL300002174870	0	38	-2.0	-101.94	349.10	3.44	-98.50
O=C([O-])COC1=CC=CC(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)=C1	REAL300002174906	1	37	-2.0	-93.33	326.85	4.86	-88.47
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3=CC=CC(OCC(=O)[O-])=C3)=N2)=C1	REAL300002174966	0	48	-2.0	-127.62	408.70	8.48	-119.14
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=CC(OCC(=O)[O-])=C3)=N2)C=C1	REAL300002174967	0	48	-2.0	-126.73	408.62	8.49	-118.24
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC=CC(OCC(=O)[O-])=C2)=N1	REAL300002175063	0	42	-2.0	-123.53	370.80	7.56	-115.97
O=C([O-])COC1=CC=CC(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])=C1	REAL300002175068	0	39	-2.0	-125.72	354.84	6.63	-119.09
O=C([O-])COC1=CC=CC(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)=C1	REAL300002175110	0	37	-2.0	-126.55	327.72	7.42	-119.13
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC=CC(OCC(=O)[O-])=C3)=N2)=C1	REAL300002175277	0	42	-2.0	-131.96	373.18	7.21	-124.75
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=CC(OCC(=O)[O-])=C2)=N1	REAL300002175278	0	45	-2.0	-129.63	389.54	8.31	-121.32
CC1=C(CC(=O)NC2=CC=CC(OCC(=O)[O-])=C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002175356	1	45	-2.0	-125.09	392.36	5.66	-119.43
O=C([O-])COC1=CC=CC(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)=C1	REAL300002175418	0	32	-2.0	-98.50	309.87	5.89	-92.61
O=C([O-])COC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300002175540	0	35	-2.0	-111.67	312.81	4.19	-107.48
O=C([O-])COC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300002175540	1	35	-2.0	-111.71	312.87	4.21	-107.50
O=C([O-])COC1=CC=CC(NC(=O)C2=CC=C([O-])C(Cl)=C2)=C1	REAL300002175577	0	32	-2.0	-98.15	303.66	5.83	-92.32
CCOC1=CC(C(=O)NC2=CC=CC(OCC(=O)[O-])=C2)=CC(Cl)=C1[O-]	REAL300002175581	1	39	-2.0	-102.16	354.71	6.87	-95.29
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=CC(OCC(=O)[O-])=C3)=N2)C=C1	REAL300002175591	0	43	-2.0	-126.51	377.91	5.86	-120.65
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=CC(OCC(=O)[O-])=C2)=CO1	REAL300002175615	1	36	-2.0	-108.98	339.64	1.10	-107.88
O=C([O-])COC1=CC=CC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)=C1	REAL300002175709	0	40	-2.0	-109.63	352.10	9.78	-99.85
O=C([O-])COC1=CC=CC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)=C1	REAL300002175709	1	40	-2.0	-109.69	352.05	9.81	-99.88
O=C([O-])COC1=CC=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300002175784	0	35	-2.0	-91.32	323.12	3.99	-87.33
O=C([O-])COC1=CC=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300002175784	1	35	-2.0	-91.31	323.18	4.00	-87.31
COCC1=NC=C(C(=O)NC2=CC=CC(OCC(=O)[O-])=C2)C(=O)[N-]1	REAL300002176120	1	37	-2.0	-92.53	328.69	2.51	-90.02
O=C([O-])COC1=CC=CC(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)=C1	REAL300002176168	1	40	-2.0	-93.31	342.61	5.41	-87.90
O=C([O-])COC1=CC=CC(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=C1	REAL300002176493	0	32	-2.0	-113.23	318.26	7.83	-105.40
CC1=C(CCC(=O)N2CCC(C(=O)[O-])C2)C(=O)NC(N2CCOCC2)=N1	REAL300002177294	0	48	-2.0	-99.09	385.80	6.47	-92.62
CC1=C(CCC(=O)N2CCC(C(=O)[O-])C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300002177294	1	48	-2.0	-99.09	385.80	6.47	-92.62
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300002177608	0	38	-2.0	-101.30	327.49	3.78	-97.52
O=C([O-])C1CCN(C(=O)C2=CC=CC(S(=O)(=O)NC3=CC=C(F)C=C3)=C2)C1	REAL300002177855	0	42	-2.0	-90.15	367.55	6.04	-84.11
O=C([O-])C1CCN(C(=O)C2=CC=CC(S(=O)(=O)[N-]C3=CC=C(F)C=C3)=C2)C1	REAL300002177855	1	42	-2.0	-90.15	367.55	6.04	-84.11
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])C1	REAL300002177898	0	38	-2.0	-102.44	327.28	4.00	-98.44
CC1=CC=C(C2=NNC(=S)N2CC(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300002177936	0	40	-2.0	-108.13	350.38	9.41	-98.72
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300002177936	1	40	-2.0	-108.13	350.38	9.41	-98.72
O=C([O-])C1CCN(C(=O)C2=CC=C(NS(=O)(=O)C3=CC=C(F)C=C3)C=C2)C1	REAL300002177986	0	42	-2.0	-90.60	367.46	6.02	-84.58
O=C([O-])C1CCN(C(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C=C3)C=C2)C1	REAL300002177986	1	42	-2.0	-90.60	367.46	6.02	-84.58
CC1=CC=CC=C1NS(=O)(=O)C1=CC=C(C(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300002177988	0	45	-2.0	-92.86	381.17	6.73	-86.13
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300002177988	1	45	-2.0	-92.86	381.17	6.73	-86.13
O=C([O-])C1CCN(C(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3)C=C2)C1	REAL300002178103	1	42	-2.0	-96.84	361.06	5.95	-90.89
O=C([O-])C1CCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)C1	REAL300002178104	1	42	-2.0	-95.88	361.10	5.97	-89.91
CC1=CC(C(=O)N2CCC(C(=O)[O-])C2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300002178115	0	38	-2.0	-84.55	342.78	4.15	-80.40
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N3CCC(C(=O)[O-])C3)C=C2)C=C1	REAL300002178235	1	45	-2.0	-93.54	382.66	6.64	-86.90
O=C([O-])C1CCN(C(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CS3)C=C2)C1	REAL300002178317	0	39	-2.0	-95.23	352.99	4.96	-90.27
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(C(=O)[O-])C2)O1	REAL300002178334	1	41	-2.0	-87.27	349.66	2.83	-84.44
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(C(=O)[O-])C2)O1	REAL300002178335	1	32	-2.0	-86.75	296.00	0.30	-86.45
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N3CCC(C(=O)[O-])C3)=C2)C=C1	REAL300002178444	1	45	-2.0	-96.33	382.53	6.66	-89.67
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)N3CCC(C(=O)[O-])C3)=C2)=C1	REAL300002178481	1	45	-2.0	-96.67	382.54	6.66	-90.01
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300002178552	0	42	-2.0	-109.29	362.26	1.99	-107.30
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])C1	REAL300002178600	0	35	-2.0	-101.03	305.81	3.10	-97.93
O=C([O-])C1CCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CS3)=C2)C1	REAL300002178609	0	39	-2.0	-94.34	353.04	4.98	-89.36
O=C([O-])C1CCN(C(=O)CC2=CC=C([N-]S(=O)(=O)C3=CC=CS3)C=C2)C1	REAL300002178610	0	42	-2.0	-107.61	383.87	6.17	-101.44
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC(C(=O)[O-])C2)=CS1	REAL300002178912	1	39	-2.0	-103.08	341.06	4.72	-98.36
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCC(C(=O)[O-])C1	REAL300002179085	0	35	-2.0	-94.89	312.76	3.16	-91.73
CC1=C(CC(=O)N2CCC(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002179094	1	41	-2.0	-108.00	351.05	4.89	-103.11
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])C1	REAL300002179099	0	41	-2.0	-102.93	348.78	4.79	-98.14
CC1=C(C(=O)N2CCC(C(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300002179149	1	41	-2.0	-103.15	338.05	4.65	-98.50
O=C([O-])C1CCN(C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3)C=C2)C1	REAL300002179255	1	42	-2.0	-92.86	361.08	5.97	-86.89
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)N1CCC(C(=O)[O-])C1	REAL300002179671	0	41	-2.0	-105.87	352.49	5.35	-100.52
O=C([O-])C1CCN(C(=O)C2=CC(Br)=C([O-])C(Br)=C2)C1	REAL300002179752	0	28	-2.0	-84.37	280.89	5.29	-79.08
O=C([O-])C1CCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300002179805	1	31	-2.0	-101.76	281.92	6.11	-95.65
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC(C(=O)[O-])C2)C=N1	REAL300002179881	0	34	-2.0	-96.61	301.36	2.14	-94.47
O=C([O-])C1CCN(C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=NC=C3)C=C2)C1	REAL300002179934	1	41	-2.0	-89.34	356.29	4.19	-85.15
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC(C(=O)[O-])C3)=N2)=C1	REAL300002179949	0	44	-2.0	-114.79	364.45	7.81	-106.98
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC(C(=O)[O-])C3)=N2)C=C1	REAL300002179950	0	44	-2.0	-113.67	364.43	7.82	-105.85
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC(C(=O)[O-])C2)=N1	REAL300002180004	0	38	-2.0	-110.50	331.55	6.90	-103.60
O=C([O-])C1CCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1	REAL300002180007	0	35	-2.0	-112.78	310.65	5.95	-106.83
O=C([O-])C1CCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)C1	REAL300002180035	0	35	-2.0	-86.78	323.14	3.42	-83.36
O=C([O-])C1CCN(C(=O)C2=CN=C(I)C([O-])=C2)C1	REAL300002180066	0	27	-2.0	-84.49	262.14	3.16	-81.33
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC(C(=O)[O-])C3)=N2)=C1	REAL300002180102	0	38	-2.0	-117.83	328.97	6.54	-111.29
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC(C(=O)[O-])C2)=N1	REAL300002180103	0	41	-2.0	-116.31	343.03	7.52	-108.79
CC1=C(CC(=O)N2CCC(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002180126	1	41	-2.0	-107.94	351.78	4.91	-103.03
CCOC1=CC(C(=O)N2CCC(C(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300002180195	1	35	-2.0	-92.34	307.52	5.56	-86.78
O=C([O-])C1CCN(C(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])C1	REAL300002180199	0	38	-2.0	-118.55	321.87	6.78	-111.77
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC(C(=O)[O-])C3)=N2)C=C1	REAL300002180205	0	39	-2.0	-113.38	333.72	5.19	-108.19
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(C(=O)[O-])C2)=CO1	REAL300002180220	1	32	-2.0	-92.88	292.43	-0.06	-92.94
O=C([O-])C1CCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300002180660	0	28	-2.0	-98.59	276.17	6.00	-92.59
CC1=C(C(=O)N2CCC(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300002180830	0	36	-2.0	-105.59	318.33	3.73	-101.86
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)CC(=O)N2CCCC(C(=O)[O-])C2)O1	REAL300002181896	1	45	-2.0	-101.80	387.62	1.90	-99.90
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1=CC=CC=C1[N-]S(C)(=O)=O	REAL300002182069	0	48	-2.0	-119.48	398.64	4.65	-114.83
CC1=C(C(=O)N(C)CC(=O)N2CCCC(C(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300002182551	1	54	-2.0	-126.30	430.59	5.96	-120.34
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1=CC=C([O-])C(F)=C1	REAL300002183462	1	41	-2.0	-107.45	339.82	5.66	-101.79
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300002183476	1	44	-2.0	-123.79	375.19	7.06	-116.73
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)CCC1=N[N-]N=N1	REAL300002183530	0	41	-2.0	-103.66	341.18	4.13	-99.53
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)CCC1=NN=N[N-]1	REAL300002183530	1	41	-2.0	-103.66	341.24	4.15	-99.51
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300002183602	0	47	-2.0	-115.14	396.72	3.77	-111.37
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300002183632	1	46	-2.0	-105.68	382.67	5.11	-100.57
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1=CN=CC([O-])=C1	REAL300002183663	1	40	-2.0	-114.12	328.68	3.70	-110.42
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300002183802	1	46	-2.0	-125.23	374.88	8.80	-116.43
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300002184072	0	41	-2.0	-102.74	357.91	6.23	-96.51
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)CCCC1=N[N-]N=N1	REAL300002184177	0	44	-2.0	-109.32	362.69	4.91	-104.41
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)CCCC1=NN=N[N-]1	REAL300002184177	1	44	-2.0	-109.37	362.74	4.93	-104.44
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300002184209	0	41	-2.0	-104.69	349.61	6.16	-98.53
CCOC1=CC(C(=O)N(C)CC(=O)N2CCCC(C(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300002184212	1	48	-2.0	-107.31	402.75	7.22	-100.09
C[N-]S(=O)(=O)C1=CC(C(=O)N(C)CC(=O)N2CCCC(C(=O)[O-])C2)=CO1	REAL300002184242	1	45	-2.0	-113.33	384.71	1.54	-111.79
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300002184385	0	44	-2.0	-97.12	370.37	5.32	-91.80
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300002184385	1	44	-2.0	-97.11	370.44	5.32	-91.79
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1=C[N-]N=CC1=O	REAL300002184638	0	39	-2.0	-97.05	327.05	4.17	-92.88
COCC1=NC=C(C(=O)N(C)CC(=O)N2CCCC(C(=O)[O-])C2)C(=O)[N-]1	REAL300002184667	1	46	-2.0	-107.53	385.26	2.78	-104.75
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300002184709	1	49	-2.0	-123.39	399.06	5.69	-117.70
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300002184984	0	41	-2.0	-105.88	368.37	7.45	-98.43
CCCCCCC(C)(NC(=O)C1=CC=C(S(=O)(=O)[N-]C)O1)C(=O)[O-]	REAL300002186640	1	46	-2.0	-96.76	386.62	2.94	-93.82
CCCCCCC(C)(NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1)C(=O)[O-]	REAL300002187101	1	53	-2.0	-121.45	428.37	7.30	-114.15
CCCCCCC(C)(NC(=O)C1=CC=C([O-])C(F)=C1)C(=O)[O-]	REAL300002188166	1	42	-2.0	-105.69	339.98	7.17	-98.52
CCCCCCC(C)(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300002188176	1	45	-2.0	-124.49	370.31	9.24	-115.25
CCCCCCC(C)(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300002188263	0	48	-2.0	-106.05	395.21	5.27	-100.78
CCCCCCC(C)(NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C(=O)[O-]	REAL300002188286	1	47	-2.0	-111.37	372.99	6.70	-104.67
CCCCCCC(C)(NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-])C(=O)[O-]	REAL300002188402	0	52	-2.0	-133.66	422.28	9.43	-124.23
CCCCCCC(C)(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300002188407	0	49	-2.0	-134.67	400.96	8.48	-126.19
CCCCCCC(C)(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(=O)[O-]	REAL300002188436	1	47	-2.0	-138.89	374.12	8.87	-130.02
CCCCCCC(C)(NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-])C(=O)[O-]	REAL300002188570	0	52	-2.0	-142.07	419.30	9.06	-133.01
CCCCCCC(C)(NC(=O)C1=NN(C2=CC=CC=C2CC)C=C1[O-])C(=O)[O-]	REAL300002188571	0	55	-2.0	-140.50	435.81	10.14	-130.36
CCCCCCC(C)(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300002188682	0	42	-2.0	-99.90	355.97	7.72	-92.18
CCCCCCC(C)(NC(=O)C1=C(OC)C(=O)[N-]C(=O)N1)C(=O)[O-]	REAL300002188693	1	45	-2.0	-100.45	362.13	2.33	-98.12
CCCCCCC(C)(NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL300002188767	0	45	-2.0	-109.20	358.93	5.99	-103.21
CCCCCCC(C)(NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL300002188767	1	45	-2.0	-109.20	358.99	6.00	-103.20
CCCCCCC(C)(NC(=O)C1=CC=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300002188798	0	42	-2.0	-102.70	349.78	7.65	-95.05
CCCCCCC(C)(NC(=O)C1=CC(Cl)=C([O-])C(OCC)=C1)C(=O)[O-]	REAL300002188802	1	49	-2.0	-105.30	400.83	8.69	-96.61
CCCCCCC(C)(NC(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-])C(=O)[O-]	REAL300002188808	0	53	-2.0	-136.56	424.04	7.71	-128.85
CCCCCCC(C)(NC(=O)C1=COC(S(=O)(=O)[N-]C)=C1)C(=O)[O-]	REAL300002188823	1	46	-2.0	-107.57	385.75	2.92	-104.65
CCCCCCC(C)(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300002188957	0	45	-2.0	-92.15	369.52	5.80	-86.35
CCCCCCC(C)(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300002188957	1	45	-2.0	-92.18	369.59	5.82	-86.36
CCCCCCC(C)(NC(=O)C1=CN=C(COC)[N-]C1=O)C(=O)[O-]	REAL300002189210	1	47	-2.0	-110.62	374.83	4.35	-106.27
CCCCCCC(C)(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(=O)[O-]	REAL300002189253	1	50	-2.0	-111.52	388.74	7.25	-104.27
CCCCCCC(C)(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300002189491	0	42	-2.0	-119.71	364.36	9.28	-110.43
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCCOC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300002190587	0	45	-2.0	-100.57	394.01	4.57	-96.00
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCOC1=CC=C(C(=O)[O-])C=C1	REAL300002190851	0	45	-2.0	-101.56	394.08	4.78	-96.78
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCCOC2=CC=C(C(=O)[O-])C=C2)O1	REAL300002191262	1	39	-2.0	-96.32	365.06	0.59	-95.73
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCOC1=CC=C(C(=O)[O-])C=C1	REAL300002191497	0	42	-2.0	-100.31	372.61	3.89	-96.42
CC(C)C(=O)[N-]C1=NC(CC(=O)NCCOC2=CC=C(C(=O)[O-])C=C2)=CS1	REAL300002191826	1	46	-2.0	-100.00	406.79	4.99	-95.01
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCCOC1=CC=C(C(=O)[O-])C=C1	REAL300002192040	0	42	-2.0	-95.56	379.02	3.96	-91.60
CC1=C(C(=O)NCCOC2=CC=C(C(=O)[O-])C=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300002192129	1	48	-2.0	-96.13	396.70	5.37	-90.76
O=C([O-])C1=CC=C(OCCNC(=O)C2=CC=C([O-])C(F)=C2)C=C1	REAL300002193183	1	35	-2.0	-96.75	318.42	4.82	-91.93
O=C([O-])C1=CC=C(OCCNC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C=C1	REAL300002193196	1	38	-2.0	-99.98	348.75	7.37	-92.61
O=C([O-])C1=CC=C(OCCNC(=O)CCC2=N[N-]N=N2)C=C1	REAL300002193237	0	35	-2.0	-92.56	315.87	2.88	-89.68
O=C([O-])C1=CC=C(OCCNC(=O)CCC2=NN=N[N-]2)C=C1	REAL300002193237	1	35	-2.0	-92.53	315.93	2.90	-89.63
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCCOC2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300002193325	0	41	-2.0	-99.15	373.66	2.92	-96.23
O=C([O-])C1=CC=C(OCCNC(=O)C2=CN=C(C3CC3)[N-]C2=O)C=C1	REAL300002193361	1	40	-2.0	-95.51	351.22	4.39	-91.12
O=C([O-])C1=CC=C(OCCNC(=O)C2=CN=CC([O-])=C2)C=C1	REAL300002193405	1	34	-2.0	-96.97	307.26	2.95	-94.02
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCCOC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300002193517	0	45	-2.0	-107.51	400.73	7.07	-100.44
O=C([O-])C1=CC=C(OCCNC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C=C1	REAL300002193522	0	42	-2.0	-108.43	379.41	6.12	-102.31
O=C([O-])C1=CC=C(OCCNC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C=C1	REAL300002193568	1	40	-2.0	-108.28	352.56	6.99	-101.29
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCCOC3=CC=C(C(=O)[O-])C=C3)=N2)=C1	REAL300002193737	0	45	-2.0	-114.31	397.75	6.70	-107.61
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCCOC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300002193738	0	48	-2.0	-112.53	414.24	7.78	-104.75
O=C([O-])C1=CC=C(OCCNC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C=C1	REAL300002193874	0	35	-2.0	-93.79	334.43	5.39	-88.40
COC1=C(C(=O)NCCOC2=CC=C(C(=O)[O-])C=C2)NC(=O)[N-]C1=O	REAL300002193892	1	38	-2.0	-97.71	340.39	0.45	-97.26
O=C([O-])C1=CC=C(OCCNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300002193992	0	38	-2.0	-97.54	337.37	3.67	-93.87
O=C([O-])C1=CC=C(OCCNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300002193992	1	38	-2.0	-97.57	337.43	3.68	-93.89
O=C([O-])C1=CC=C(OCCNC(=O)C2=CC=C([O-])C(Cl)=C2)C=C1	REAL300002194032	0	35	-2.0	-93.07	328.22	5.31	-87.76
CCOC1=CC(C(=O)NCCOC2=CC=C(C(=O)[O-])C=C2)=CC(Cl)=C1[O-]	REAL300002194036	1	42	-2.0	-97.59	379.27	6.36	-91.23
COC1=CC=C(N2C=C([O-])C(C(=O)NCCOC3=CC=C(C(=O)[O-])C=C3)=N2)C=C1	REAL300002194045	0	46	-2.0	-110.73	402.48	5.35	-105.38
C[N-]S(=O)(=O)C1=CC(C(=O)NCCOC2=CC=C(C(=O)[O-])C=C2)=CO1	REAL300002194069	1	39	-2.0	-98.64	364.19	0.57	-98.07
O=C([O-])C1=CC=C(OCCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300002194237	0	38	-2.0	-90.36	347.96	3.46	-86.90
O=C([O-])C1=CC=C(OCCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300002194237	1	38	-2.0	-90.34	348.03	3.47	-86.87
O=C([O-])C1=CC=C(OCCNC(=O)C2=C[N-]N=CC2=O)C=C1	REAL300002194536	0	33	-2.0	-86.48	299.48	3.36	-83.12
COCC1=NC=C(C(=O)NCCOC2=CC=C(C(=O)[O-])C=C2)C(=O)[N-]1	REAL300002194572	1	40	-2.0	-94.41	353.32	1.98	-92.43
O=C([O-])C1=CC=C(OCCNC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C=C1	REAL300002194622	1	43	-2.0	-95.10	367.23	4.88	-90.22
O=C([O-])C1=CC=C(OCCNC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C=C1	REAL300002194948	0	35	-2.0	-96.45	342.82	7.41	-89.04
CC1=C(CCC(=O)NCC2=CC=C(C(=O)[O-])O2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300002195821	1	48	-2.0	-98.25	404.86	5.61	-92.64
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2=CC=C(C(=O)[O-])O2)=C1	REAL300002196181	0	38	-2.0	-98.70	347.02	3.44	-95.26
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=CC=C(C(=O)[O-])O1	REAL300002196494	0	38	-2.0	-99.61	347.09	3.66	-95.95
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC2=CC=C(C(=O)[O-])O2)C=C1	REAL300002196543	1	40	-2.0	-101.01	369.45	8.58	-92.43
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=CC=C(C(=O)[O-])O2)O1	REAL300002196993	1	41	-2.0	-95.55	372.83	1.89	-93.66
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=CC=C(C(=O)[O-])O2)O1	REAL300002196994	1	32	-2.0	-94.93	318.07	-0.55	-95.48
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2=CC=C(C(=O)[O-])O2)=C1	REAL300002197227	0	42	-2.0	-105.63	381.69	1.66	-103.97
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=CC=C(C(=O)[O-])O1	REAL300002197272	0	35	-2.0	-98.32	325.62	2.76	-95.56
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC2=CC=C(C(=O)[O-])O2)=CS1	REAL300002197647	1	39	-2.0	-99.82	359.81	3.86	-95.96
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCC1=CC=C(C(=O)[O-])O1	REAL300002197881	0	35	-2.0	-93.53	332.03	2.82	-90.71
CC1=C(CC(=O)NCC2=CC=C(C(=O)[O-])O2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002197887	1	41	-2.0	-107.25	369.75	4.02	-103.23
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=CC=C(C(=O)[O-])O1	REAL300002197892	0	41	-2.0	-100.08	368.59	4.45	-95.63
CC1=C(C(=O)NCC2=CC=C(C(=O)[O-])O2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300002197962	1	41	-2.0	-98.69	349.98	4.23	-94.46
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NCC1=CC=C(C(=O)[O-])O1	REAL300002198691	0	41	-2.0	-102.84	371.51	5.01	-97.83
O=C([O-])C1=CC=C(CNC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])O1	REAL300002198883	1	31	-2.0	-97.70	301.77	6.24	-91.46
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC2=CC=C(C(=O)[O-])O2)C=N1	REAL300002198981	0	34	-2.0	-97.68	326.67	1.78	-95.90
O=C([O-])C1=CC=C(CNC(=O)C2=CN=C(C3CC3)[N-]C2=O)O1	REAL300002199011	1	33	-2.0	-97.29	304.48	3.19	-94.10
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCC3=CC=C(C(=O)[O-])O3)=N2)=C1	REAL300002199066	0	44	-2.0	-111.65	386.27	6.82	-104.83
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC3=CC=C(C(=O)[O-])O3)=N2)C=C1	REAL300002199067	0	44	-2.0	-110.06	386.20	6.82	-103.24
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC2=CC=C(C(=O)[O-])O2)=N1	REAL300002199141	0	38	-2.0	-107.11	353.73	5.93	-101.18
O=C([O-])C1=CC=C(CNC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])O1	REAL300002199145	0	35	-2.0	-107.51	332.42	4.97	-102.54
O=C([O-])C1=CC=C(CNC(=O)C2=C([O-])C3=CC=CC=C3C=N2)O1	REAL300002199169	1	33	-2.0	-108.79	305.57	5.85	-102.94
O=C([O-])C1=CC=C(CNC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)O1	REAL300002199188	0	35	-2.0	-86.16	347.89	3.07	-83.09
O=C([O-])C1=CC=C(CNC(=O)C2=CN=C(I)C([O-])=C2)O1	REAL300002199237	0	27	-2.0	-89.86	287.14	2.81	-87.05
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC3=CC=C(C(=O)[O-])O3)=N2)=C1	REAL300002199299	0	38	-2.0	-113.93	350.76	5.55	-108.38
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC2=CC=C(C(=O)[O-])O2)=N1	REAL300002199300	0	41	-2.0	-110.92	360.28	6.70	-104.22
CC1=C(CC(=O)NCC2=CC=C(C(=O)[O-])O2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002199357	1	41	-2.0	-106.06	369.94	4.01	-102.05
O=C([O-])C1=CC=C(CNC(=O)C2=CC(F)=C([O-])C(Cl)=C2)O1	REAL300002199397	0	28	-2.0	-90.93	287.44	4.23	-86.70
COC1=C(C(=O)NCC2=CC=C(C(=O)[O-])O2)NC(=O)[N-]C1=O	REAL300002199405	1	31	-2.0	-94.57	293.41	-0.67	-95.24
CCOC1=CC(C(=O)NCC2=CC=C(C(=O)[O-])O2)=CC(Cl)=C1[O-]	REAL300002199509	1	35	-2.0	-95.17	332.28	5.21	-89.96
O=C([O-])C1=CC=C(CNC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])O1	REAL300002199513	0	38	-2.0	-115.23	355.91	6.33	-108.90
COC1=CC=C(N2C=C([O-])C(C(=O)NCC3=CC=C(C(=O)[O-])O3)=N2)C=C1	REAL300002199521	0	39	-2.0	-110.20	355.49	4.20	-106.00
C[N-]S(=O)(=O)C1=CC(C(=O)NCC2=CC=C(C(=O)[O-])O2)=CO1	REAL300002199542	1	32	-2.0	-94.61	317.20	-0.57	-95.18
O=C([O-])C1=CC=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)O1	REAL300002199668	0	31	-2.0	-88.17	300.97	2.33	-85.84
O=C([O-])C1=CC=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)O1	REAL300002199668	1	31	-2.0	-88.13	301.04	2.33	-85.80
COCC1=NC=C(C(=O)NCC2=CC=C(C(=O)[O-])O2)C(=O)[N-]1	REAL300002199934	1	33	-2.0	-96.34	306.32	0.84	-95.50
O=C([O-])C1=CC=C(CNC(=O)C2=CN=C(C3CCC3)[N-]C2=O)O1	REAL300002199971	1	36	-2.0	-97.38	320.24	3.74	-93.64
O=C([O-])C1=CC=C(CNC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])O1	REAL300002200227	0	28	-2.0	-94.79	295.83	6.27	-88.52
CC1=C(C(=O)NCC2=CC=C(C(=O)[O-])O2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300002200484	0	36	-2.0	-101.83	330.20	3.32	-98.51
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC(CCC(=O)[O-])CC2)=C1	REAL300002201336	0	47	-2.0	-103.31	384.87	6.01	-97.30
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(CCC(=O)[O-])CC1	REAL300002201646	0	47	-2.0	-104.42	383.87	6.17	-98.25
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCC(CCC(=O)[O-])CC2)C=C1	REAL300002201694	1	49	-2.0	-102.41	403.76	11.56	-90.85
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(CCC(=O)[O-])CC2)O1	REAL300002202135	1	50	-2.0	-94.94	405.10	4.78	-90.16
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(CCC(=O)[O-])CC2)O1	REAL300002202136	1	41	-2.0	-94.66	349.65	2.37	-92.29
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(CCC(=O)[O-])CC1	REAL300002202408	0	44	-2.0	-103.06	362.43	5.27	-97.79
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC(CCC(=O)[O-])CC2)=CS1	REAL300002202766	1	48	-2.0	-98.93	394.45	6.89	-92.04
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCC(CCC(=O)[O-])CC1	REAL300002203006	0	44	-2.0	-96.58	369.89	5.40	-91.18
CC1=C(CC(=O)N2CCC(CCC(=O)[O-])CC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002203009	1	50	-2.0	-103.19	405.31	7.11	-96.08
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(CCC(=O)[O-])CC1	REAL300002203012	0	50	-2.0	-104.91	405.36	6.96	-97.95
CC1=C(C(=O)N2CCC(CCC(=O)[O-])CC2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300002203093	1	50	-2.0	-107.09	393.02	6.63	-100.46
O=C([O-])CCC1CCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CC1	REAL300002204134	1	40	-2.0	-103.49	338.02	8.15	-95.34
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC(CCC(=O)[O-])CC2)C=N1	REAL300002204241	0	43	-2.0	-96.24	361.65	4.39	-91.85
O=C([O-])CCC1CCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)CC1	REAL300002204274	1	42	-2.0	-98.29	344.88	5.81	-92.48
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC(CCC(=O)[O-])CC3)=N2)=C1	REAL300002204333	0	53	-2.0	-111.87	417.59	10.04	-101.83
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC(CCC(=O)[O-])CC3)=N2)C=C1	REAL300002204334	0	53	-2.0	-110.84	417.59	10.05	-100.79
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC(CCC(=O)[O-])CC2)=N1	REAL300002204424	0	47	-2.0	-111.06	389.82	8.60	-102.46
O=C([O-])CCC1CCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CC1	REAL300002204429	0	44	-2.0	-108.90	363.80	8.20	-100.70
O=C([O-])CCC1CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)CC1	REAL300002204460	1	42	-2.0	-109.89	337.23	9.29	-100.60
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC(CCC(=O)[O-])CC3)=N2)=C1	REAL300002204615	0	47	-2.0	-114.92	382.14	8.77	-106.15
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC(CCC(=O)[O-])CC2)=N1	REAL300002204616	0	50	-2.0	-110.69	403.82	9.31	-101.38
CC1=C(CC(=O)N2CCC(CCC(=O)[O-])CC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002204686	1	50	-2.0	-101.69	405.50	7.11	-94.58
O=C([O-])CCC1CCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)CC1	REAL300002204737	0	37	-2.0	-91.04	320.79	6.89	-84.15
COC1=C(C(=O)N2CCC(CCC(=O)[O-])CC2)NC(=O)[N-]C1=O	REAL300002204749	1	40	-2.0	-92.74	334.13	0.85	-91.89
O=C([O-])CCC1CCN(C(=O)C2=CC=C([O-])C(Cl)=C2)CC1	REAL300002204877	0	37	-2.0	-90.10	314.57	6.82	-83.28
CCOC1=CC(C(=O)N2CCC(CCC(=O)[O-])CC2)=CC(Cl)=C1[O-]	REAL300002204880	1	44	-2.0	-95.27	366.86	7.90	-87.37
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC(CCC(=O)[O-])CC3)=N2)C=C1	REAL300002204892	0	48	-2.0	-111.82	387.17	7.45	-104.37
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(CCC(=O)[O-])CC2)=CO1	REAL300002204915	1	41	-2.0	-90.91	348.73	2.17	-88.74
O=C([O-])CCC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300002205071	0	40	-2.0	-86.33	332.71	5.82	-80.51
O=C([O-])CCC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300002205071	1	40	-2.0	-86.37	332.78	5.83	-80.54
COCC1=NC=C(C(=O)N2CCC(CCC(=O)[O-])CC2)C(=O)[N-]1	REAL300002205392	1	42	-2.0	-91.85	339.55	3.29	-88.56
O=C([O-])CCC1CCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)CC1	REAL300002205436	1	45	-2.0	-97.93	360.74	6.36	-91.57
O=C([O-])CCC1CCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300002205735	0	37	-2.0	-99.21	332.56	7.66	-91.55
CC1=C(C(=O)N2CCC(CCC(=O)[O-])CC2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300002206038	0	45	-2.0	-110.05	372.73	6.07	-103.98
CC1=C(CCC(=O)NC(C(=O)[O-])C2CC2)C(=O)NC(N2CCOCC2)=N1	REAL300002206487	0	48	-2.0	-107.58	389.65	5.89	-101.69
CC1=C(CCC(=O)NC(C(=O)[O-])C2CC2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300002206487	1	48	-2.0	-107.58	389.65	5.89	-101.69
O=C([O-])C(NC(=O)C1=CC=CC(S(=O)(=O)NC2=CC=C(F)C=C2)=C1)C1CC1	REAL300002206894	0	42	-2.0	-109.42	375.44	5.95	-103.47
O=C([O-])C(NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1)C1CC1	REAL300002206894	1	42	-2.0	-109.42	375.44	5.95	-103.47
CC1=CC=C(C2=NNC(=S)N2CC(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300002206954	0	40	-2.0	-129.07	357.62	8.90	-120.17
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300002206954	1	40	-2.0	-129.07	357.62	8.90	-120.17
O=C([O-])C(NC(=O)C1=CC=C(NS(=O)(=O)C2=CC=C(F)C=C2)C=C1)C1CC1	REAL300002206999	0	42	-2.0	-103.90	377.89	6.01	-97.89
O=C([O-])C(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1)C1CC1	REAL300002206999	1	42	-2.0	-103.90	377.89	6.01	-97.89
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300002207001	1	45	-2.0	-100.26	391.59	6.70	-93.56
O=C([O-])C(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C1CC1	REAL300002207089	1	42	-2.0	-107.96	374.32	5.97	-101.99
O=C([O-])C(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C1CC1	REAL300002207090	1	42	-2.0	-113.74	371.15	5.93	-107.81
CC1=CC(C(=O)NC(C(=O)[O-])C2CC2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300002207099	0	38	-2.0	-92.51	355.74	4.15	-88.36
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NC(C(=O)[O-])C3CC3)C=C2)C=C1	REAL300002207193	1	45	-2.0	-100.76	393.08	6.61	-94.15
O=C([O-])C(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C1CC1	REAL300002207259	0	39	-2.0	-109.51	366.25	4.98	-104.53
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C2CC2)O1	REAL300002207276	1	41	-2.0	-98.19	359.83	2.31	-95.88
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C2CC2)O1	REAL300002207277	1	32	-2.0	-96.69	304.21	-0.21	-96.90
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NC(C(=O)[O-])C3CC3)=C2)C=C1	REAL300002207369	1	45	-2.0	-116.52	390.42	6.56	-109.96
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)NC(C(=O)[O-])C3CC3)=C2)=C1	REAL300002207394	1	45	-2.0	-116.95	390.41	6.57	-110.38
O=C([O-])C(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C1CC1	REAL300002207483	0	39	-2.0	-111.79	360.93	4.91	-106.88
O=C([O-])C(NC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C1CC1	REAL300002207484	0	42	-2.0	-119.63	391.11	5.65	-113.98
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(C(=O)[O-])C2CC2)=CS1	REAL300002207698	1	39	-2.0	-111.10	345.12	4.16	-106.94
CC1=C(CC(=O)NC(C(=O)[O-])C2CC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002207843	1	41	-2.0	-115.80	355.08	4.30	-111.50
O=C([O-])C(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C1CC1	REAL300002207971	1	42	-2.0	-101.12	374.48	5.96	-95.16
O=C([O-])C(NC(=O)C1=CC(Br)=C([O-])C(Br)=C1)C1CC1	REAL300002208347	0	28	-2.0	-95.41	288.65	5.23	-90.18
O=C([O-])C(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1CC1	REAL300002208383	1	31	-2.0	-119.25	289.90	6.54	-112.71
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(C(=O)[O-])C2CC2)C=N1	REAL300002208439	0	34	-2.0	-103.97	311.98	2.09	-101.88
O=C([O-])C(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C1CC1	REAL300002208479	1	41	-2.0	-97.22	369.52	4.20	-93.02
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3CC3)=N2)=C1	REAL300002208493	0	44	-2.0	-134.22	371.00	7.11	-127.11
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3CC3)=N2)C=C1	REAL300002208494	0	44	-2.0	-132.60	368.85	7.09	-125.51
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(C(=O)[O-])C2CC2)=N1	REAL300002208530	0	38	-2.0	-128.54	333.12	6.19	-122.35
O=C([O-])C(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1CC1	REAL300002208533	0	35	-2.0	-131.27	315.07	5.24	-126.03
O=C([O-])C(NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C1CC1	REAL300002208554	0	35	-2.0	-97.87	332.69	3.36	-94.51
O=C([O-])C(NC(=O)C1=CN=C(I)C([O-])=C1)C1CC1	REAL300002208580	0	27	-2.0	-101.13	271.94	3.09	-98.04
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3CC3)=N2)=C1	REAL300002208602	0	38	-2.0	-137.28	335.55	5.84	-131.44
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(C(=O)[O-])C2CC2)=N1	REAL300002208603	0	41	-2.0	-135.26	345.08	6.98	-128.28
CC1=C(CC(=O)NC(C(=O)[O-])C2CC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002208616	1	41	-2.0	-113.78	355.27	4.29	-109.49
CCOC1=CC(C(=O)NC(C(=O)[O-])C2CC2)=CC(Cl)=C1[O-]	REAL300002208666	1	35	-2.0	-103.34	317.09	5.51	-97.83
O=C([O-])C(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C1CC1	REAL300002208669	0	38	-2.0	-137.89	338.55	6.61	-131.28
COC1=CC=C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3CC3)=N2)C=C1	REAL300002208672	0	39	-2.0	-132.22	338.13	4.47	-127.75
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C(=O)[O-])C2CC2)=CO1	REAL300002208681	1	32	-2.0	-104.13	302.01	-0.29	-104.42
O=C([O-])C(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CC1	REAL300002209014	0	28	-2.0	-114.56	281.17	6.55	-108.01
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])O1	REAL300002210042	1	42	-2.0	-102.84	383.15	2.38	-100.46
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C1=CC=C([O-])C(F)=C1	REAL300002211294	1	38	-2.0	-105.82	341.93	6.51	-99.31
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300002211306	1	41	-2.0	-123.28	365.45	9.07	-114.21
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)CCC1=N[N-]N=N1	REAL300002211350	0	38	-2.0	-102.88	339.38	4.55	-98.33
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)CCC1=NN=N[N-]1	REAL300002211350	1	38	-2.0	-102.89	339.44	4.57	-98.32
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300002211423	1	43	-2.0	-124.66	369.98	7.12	-117.54
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C1=CN=CC([O-])=C1	REAL300002211446	1	37	-2.0	-110.91	331.01	4.55	-106.36
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300002211548	1	43	-2.0	-140.29	370.66	8.77	-131.52
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300002211775	0	38	-2.0	-103.53	357.93	7.07	-96.46
COC1=C(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])NC(=O)[N-]C1=O	REAL300002211788	1	41	-2.0	-102.25	357.85	2.22	-100.03
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)CCCC1=N[N-]N=N1	REAL300002211858	0	41	-2.0	-112.87	360.88	5.33	-107.54
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)CCCC1=NN=N[N-]1	REAL300002211858	1	41	-2.0	-112.85	360.94	5.35	-107.50
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300002211886	0	38	-2.0	-103.98	351.97	6.94	-97.04
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])=CO1	REAL300002211907	1	42	-2.0	-109.71	387.70	2.24	-107.47
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300002212027	0	41	-2.0	-95.46	366.85	5.21	-90.25
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300002212027	1	41	-2.0	-95.42	366.92	5.21	-90.21
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C1=C[N-]N=CC1=O	REAL300002212221	0	36	-2.0	-107.46	312.46	5.08	-102.38
COCC1=NC=C(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C(=O)[N-]1	REAL300002212244	1	43	-2.0	-115.03	377.15	3.58	-111.45
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300002212280	1	46	-2.0	-124.89	385.73	7.66	-117.23
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300002212486	0	38	-2.0	-122.35	366.57	9.00	-113.35
COC1=CC(CNC(=O)C2=CC(C)=CC=C2[N-]S(C)(=O)=O)=CC=C1C(=O)[O-]	REAL300002213536	0	45	-2.0	-102.40	391.51	4.99	-97.41
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300002213800	0	45	-2.0	-103.40	391.59	5.21	-98.19
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)O1	REAL300002214211	1	39	-2.0	-99.57	362.57	1.01	-98.56
COC1=CC(CNC(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)=CC=C1C(=O)[O-]	REAL300002214446	0	42	-2.0	-102.21	370.12	4.32	-97.89
COC1=CC(CNC(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)=CC=C1C(=O)[O-]	REAL300002214775	1	46	-2.0	-103.10	404.30	5.42	-97.68
COC1=CC(CNC(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)=CC=C1C(=O)[O-]	REAL300002214989	0	42	-2.0	-97.64	376.53	4.39	-93.25
COC1=CC(CNC(=O)C2=C(C)N=C(C(C)(C)C)[N-]C2=O)=CC=C1C(=O)[O-]	REAL300002215078	1	48	-2.0	-100.30	394.21	5.81	-94.49
COC1=CC(CNC(=O)C2=CC=C([O-])C(F)=C2)=CC=C1C(=O)[O-]	REAL300002216132	1	35	-2.0	-98.96	315.93	5.26	-93.70
COC1=CC(CNC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])=CC=C1C(=O)[O-]	REAL300002216145	1	38	-2.0	-101.26	346.27	7.80	-93.46
COC1=CC(CNC(=O)CCC2=N[N-]N=N2)=CC=C1C(=O)[O-]	REAL300002216186	0	35	-2.0	-95.28	313.38	3.32	-91.96
COC1=CC(CNC(=O)CCC2=NN=N[N-]2)=CC=C1C(=O)[O-]	REAL300002216186	1	35	-2.0	-95.28	313.44	3.33	-91.95
COC1=CC(CNC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)=CC=C1C(=O)[O-]	REAL300002216274	0	41	-2.0	-102.04	371.17	3.34	-98.70
COC1=CC(CNC(=O)C2=CN=C(C3CC3)[N-]C2=O)=CC=C1C(=O)[O-]	REAL300002216310	1	40	-2.0	-99.06	348.98	4.75	-94.31
COC1=CC(CNC(=O)C2=CN=CC([O-])=C2)=CC=C1C(=O)[O-]	REAL300002216354	1	34	-2.0	-98.50	304.78	3.37	-95.13
COC1=CC(CNC(=O)C2=NN(C3=CC=C(F)C=C3C)C=C2[O-])=CC=C1C(=O)[O-]	REAL300002216466	0	45	-2.0	-109.62	398.24	7.48	-102.14
COC1=CC(CNC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])=CC=C1C(=O)[O-]	REAL300002216471	0	42	-2.0	-110.22	376.92	6.53	-103.69
COC1=CC(CNC(=O)C2=C([O-])C3=CC=CC=C3C=N2)=CC=C1C(=O)[O-]	REAL300002216517	1	40	-2.0	-110.73	350.07	7.41	-103.32
COC1=CC(CNC(=O)C2=NN(C3=CC(C)=CC=C3F)C=C2[O-])=CC=C1C(=O)[O-]	REAL300002216686	0	45	-2.0	-116.26	395.26	7.11	-109.15
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)=N1	REAL300002216687	0	48	-2.0	-113.17	404.77	8.26	-104.91
COC1=CC(CNC(=O)C2=CC(F)=C([O-])C(Cl)=C2)=CC=C1C(=O)[O-]	REAL300002216823	0	35	-2.0	-96.01	331.94	5.80	-90.21
COC1=CC(CNC(=O)C2=C(OC)C(=O)[N-]C(=O)N2)=CC=C1C(=O)[O-]	REAL300002216841	1	38	-2.0	-99.66	338.09	0.89	-98.77
COC1=CC(CNC(=O)CCCC2=N[N-]N=N2)=CC=C1C(=O)[O-]	REAL300002216941	0	38	-2.0	-100.28	334.88	4.10	-96.18
COC1=CC(CNC(=O)CCCC2=NN=N[N-]2)=CC=C1C(=O)[O-]	REAL300002216941	1	38	-2.0	-100.28	334.93	4.11	-96.17
COC1=CC(CNC(=O)C2=CC=C([O-])C(Cl)=C2)=CC=C1C(=O)[O-]	REAL300002216981	0	35	-2.0	-95.34	325.73	5.75	-89.59
CCOC1=CC(C(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)=CC(Cl)=C1[O-]	REAL300002216985	1	42	-2.0	-99.85	376.78	6.78	-93.07
COC1=CC=C(N2C=C([O-])C(C(=O)NCC3=CC=C(C(=O)[O-])C(OC)=C3)=N2)C=C1	REAL300002216994	0	46	-2.0	-112.76	399.98	5.75	-107.01
C[N-]S(=O)(=O)C1=CC(C(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)=CO1	REAL300002217018	1	39	-2.0	-100.22	361.70	0.99	-99.23
COC1=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC=C1C(=O)[O-]	REAL300002217186	0	38	-2.0	-93.23	345.47	3.88	-89.35
COC1=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=C1C(=O)[O-]	REAL300002217186	1	38	-2.0	-93.24	345.54	3.89	-89.35
COC1=CC(CNC(=O)C2=C[N-]N=CC2=O)=CC=C1C(=O)[O-]	REAL300002217485	0	33	-2.0	-89.94	296.99	3.79	-86.15
COCC1=NC=C(C(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)C(=O)[N-]1	REAL300002217521	1	40	-2.0	-98.36	350.83	2.40	-95.96
COC1=CC(CNC(=O)C2=CN=C(C3CCC3)[N-]C2=O)=CC=C1C(=O)[O-]	REAL300002217571	1	43	-2.0	-99.16	364.74	5.29	-93.87
COC1=CC(CNC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=CC=C1C(=O)[O-]	REAL300002217897	0	35	-2.0	-98.23	340.33	7.83	-90.40
CCCCC(NC(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O)C(=O)[O-]	REAL300002218863	1	53	-2.0	-105.84	426.26	6.94	-98.90
CCCCC(NC(=O)C1=CC(C)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300002219209	0	43	-2.0	-115.61	367.59	4.82	-110.79
CCCCC(NC(=O)C1=CC=CC=C1[N-]S(=O)(=O)CC)C(=O)[O-]	REAL300002219519	0	43	-2.0	-116.69	368.50	4.99	-111.70
CCCCC(NC(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1)C(=O)[O-]	REAL300002219565	1	45	-2.0	-126.87	390.49	9.90	-116.97
CCCCC(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300002219747	1	47	-2.0	-106.46	406.76	7.03	-99.43
CCCCC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300002219748	1	47	-2.0	-111.75	406.93	7.02	-104.73
CCCCC(NC(=O)C1=CC=C([N-]S(=O)(=O)C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300002219761	0	43	-2.0	-91.19	389.01	5.17	-86.02
CCCCC(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300002219992	0	44	-2.0	-107.97	398.68	6.04	-101.93
CCCCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300002220011	1	46	-2.0	-97.23	394.24	3.23	-94.00
CCCCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C)O1)C(=O)[O-]	REAL300002220012	1	37	-2.0	-95.54	338.63	0.82	-94.72
CCCCC(NC(=O)C1=CC(NC(C)=O)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300002220249	0	47	-2.0	-120.75	403.12	2.98	-117.77
CCCCC(NC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300002220293	0	40	-2.0	-114.95	347.03	4.09	-110.86
CCCCC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C(=O)[O-]	REAL300002220300	0	44	-2.0	-109.93	399.70	6.00	-103.93
CCCCC(NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1)C(=O)[O-]	REAL300002220649	1	44	-2.0	-110.15	380.39	5.23	-104.92
CCCCC(NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300002220864	0	40	-2.0	-107.34	352.61	4.20	-103.14
CCCCC(NC(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O)C(=O)[O-]	REAL300002220871	1	46	-2.0	-115.71	392.08	5.38	-110.33
CCCCC(NC(=O)C1=CC=CC=C1[N-]S(=O)(=O)CCC)C(=O)[O-]	REAL300002220876	0	46	-2.0	-117.28	389.16	5.83	-111.45
CCCCC(NC(=O)C1=C(C)N=C(C(C)(C)C)[N-]C1=O)C(=O)[O-]	REAL300002220939	1	46	-2.0	-111.44	371.19	5.58	-105.86
CCCCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300002221037	1	47	-2.0	-99.85	407.75	6.97	-92.88
CCCCC(NC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300002221589	0	46	-2.0	-119.82	392.92	6.36	-113.46
CCCCC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300002221758	1	36	-2.0	-117.49	322.35	7.60	-109.89
CCCCC(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300002221847	0	39	-2.0	-103.29	348.08	3.12	-100.17
CCCCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300002221909	1	46	-2.0	-95.74	401.96	5.23	-90.51
CCCCC(NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-])C(=O)[O-]	REAL300002221924	0	49	-2.0	-132.07	407.68	8.15	-123.92
CCCCC(NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])C(=O)[O-]	REAL300002221925	0	49	-2.0	-130.62	406.78	8.20	-122.42
CCCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-])C(=O)[O-]	REAL300002221993	0	43	-2.0	-127.20	374.90	7.33	-119.87
CCCCC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300002221997	0	40	-2.0	-127.98	352.99	6.35	-121.63
CCCCC(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(=O)[O-]	REAL300002222019	1	38	-2.0	-132.98	326.98	7.18	-125.80
CCCCC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300002222037	0	40	-2.0	-95.80	369.30	4.40	-91.40
CCCCC(NC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300002222077	0	32	-2.0	-98.98	308.54	4.12	-94.86
CCCCC(NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-])C(=O)[O-]	REAL300002222127	0	43	-2.0	-135.14	372.17	6.89	-128.25
CCCCC(NC(=O)C1=NN(C2=CC=CC=C2CC)C=C1[O-])C(=O)[O-]	REAL300002222128	0	46	-2.0	-133.82	388.68	7.97	-125.85
CCCCC(NC(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O)C(=O)[O-]	REAL300002222173	1	46	-2.0	-113.54	391.35	5.33	-108.21
CCCCC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300002222207	0	33	-2.0	-96.63	308.85	5.60	-91.03
CCCCC(NC(=O)C1=CC(Cl)=C([O-])C(OCC)=C1)C(=O)[O-]	REAL300002222293	1	40	-2.0	-101.52	353.69	6.57	-94.95
CCCCC(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300002222297	0	43	-2.0	-136.11	377.32	7.67	-128.44
CCCCC(NC(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-])C(=O)[O-]	REAL300002222304	0	44	-2.0	-130.32	376.06	5.58	-124.74
CCCCC(NC(=O)C1=COC(S(=O)(=O)[N-]C)=C1)C(=O)[O-]	REAL300002222321	1	37	-2.0	-102.23	337.78	0.80	-101.43
CCCCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300002222442	0	36	-2.0	-90.33	322.38	3.67	-86.66
CCCCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300002222442	1	36	-2.0	-90.24	322.45	3.67	-86.57
CCCCC(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(=O)[O-]	REAL300002222707	1	41	-2.0	-110.45	341.73	5.07	-105.38
CCCCC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300002222923	0	33	-2.0	-113.48	317.24	7.58	-105.90
CCCCC(NC(=O)C1=C(C)N=C(C2=CC=CO2)[N-]C1=O)C(=O)[O-]	REAL300002223155	0	41	-2.0	-114.00	351.18	4.72	-109.28
CC1=C(C(=O)[O-])SC(CNC(=O)C2=CC(C)=CC=C2[N-]S(C)(=O)=O)=N1	REAL300002223943	0	40	-2.0	-93.66	367.89	2.74	-90.92
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300002224228	0	40	-2.0	-94.55	367.97	2.96	-91.59
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=NC(C)=C(C(=O)[O-])S2)O1	REAL300002224667	1	34	-2.0	-90.19	338.94	-1.26	-91.45
CC1=C(C(=O)[O-])SC(CNC(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)=N1	REAL300002224920	0	37	-2.0	-93.31	346.50	2.06	-91.25
CC1=C(C(=O)[O-])SC(CNC(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)=N1	REAL300002225257	1	41	-2.0	-93.81	380.71	3.16	-90.65
CC1=C(C(=O)[O-])SC(CNC(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)=N1	REAL300002225481	0	37	-2.0	-88.64	352.91	2.12	-86.52
CC1=C(C(=O)[O-])SC(CNC(=O)CC2=C(C)N=C(C3=CC=CN=C3)[N-]C2=O)=N1	REAL300002225483	1	43	-2.0	-99.14	390.62	3.32	-95.82
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300002225486	0	43	-2.0	-94.95	389.46	3.75	-91.20
CC1=C(C(=O)[O-])SC(CNC(=O)C2=C(C)N=C(C(C)(C)C)[N-]C2=O)=N1	REAL300002225569	1	43	-2.0	-93.45	370.86	3.54	-89.91
CC1=C(C(=O)[O-])SC(CNC(=O)C2=CC=C([O-])C(F)=C2)=N1	REAL300002226610	1	30	-2.0	-89.40	292.31	2.98	-86.42
CC1=C(C(=O)[O-])SC(CNC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])=N1	REAL300002226622	1	33	-2.0	-92.30	322.65	5.54	-86.76
CC1=C(C(=O)[O-])SC(CNC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)=N1	REAL300002226735	0	36	-2.0	-92.82	347.55	1.08	-91.74
CC1=C(C(=O)[O-])SC(CNC(=O)C2=CN=C(C3CC3)[N-]C2=O)=N1	REAL300002226769	1	35	-2.0	-92.02	325.36	2.50	-89.52
CC1=C(C(=O)[O-])SC(CNC(=O)C2=NN(C3=CC=C(F)C=C3C)C=C2[O-])=N1	REAL300002226920	0	40	-2.0	-101.39	374.62	5.23	-96.16
CC1=C(C(=O)[O-])SC(CNC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])=N1	REAL300002226925	0	37	-2.0	-101.93	353.30	4.27	-97.66
CC1=C(C(=O)[O-])SC(CNC(=O)C2=C([O-])C3=CC=CC=C3C=N2)=N1	REAL300002226966	1	35	-2.0	-103.14	326.45	5.15	-97.99
CC1=C(C(=O)[O-])SC(CNC(=O)C2=NN(C3=CC(C)=CC=C3F)C=C2[O-])=N1	REAL300002227130	0	40	-2.0	-108.20	371.64	4.85	-103.35
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC2=NC(C)=C(C(=O)[O-])S2)=N1	REAL300002227131	0	43	-2.0	-105.21	381.00	6.01	-99.20
CC1=C(C(=O)[O-])SC(CNC(=O)CC2=C(C)N=C(C3=CC=NC=C3)[N-]C2=O)=N1	REAL300002227208	1	43	-2.0	-97.87	390.82	3.31	-94.56
CC1=C(C(=O)[O-])SC(CNC(=O)C2=CC(F)=C([O-])C(Cl)=C2)=N1	REAL300002227270	0	30	-2.0	-86.07	308.32	3.55	-82.52
COC1=C(C(=O)NCC2=NC(C)=C(C(=O)[O-])S2)NC(=O)[N-]C1=O	REAL300002227287	1	33	-2.0	-89.46	314.50	-1.37	-90.83
CC1=C(C(=O)[O-])SC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL300002227386	0	33	-2.0	-90.58	311.26	1.84	-88.74
CC1=C(C(=O)[O-])SC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL300002227386	1	33	-2.0	-90.61	311.32	1.85	-88.76
CC1=C(C(=O)[O-])SC(CNC(=O)C2=CC=C([O-])C(Cl)=C2)=N1	REAL300002227424	0	30	-2.0	-85.90	302.11	3.48	-82.42
CCOC1=CC(C(=O)NCC2=NC(C)=C(C(=O)[O-])S2)=CC(Cl)=C1[O-]	REAL300002227428	1	37	-2.0	-90.28	353.16	4.51	-85.77
COC1=CC=C(N2C=C([O-])C(C(=O)NCC3=NC(C)=C(C(=O)[O-])S3)=N2)C=C1	REAL300002227438	0	41	-2.0	-104.64	376.37	3.50	-101.14
C[N-]S(=O)(=O)C1=CC(C(=O)NCC2=NC(C)=C(C(=O)[O-])S2)=CO1	REAL300002227462	1	34	-2.0	-89.89	338.08	-1.27	-91.16
CC1=C(C(=O)[O-])SC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL300002227625	0	33	-2.0	-83.57	321.85	1.62	-81.95
CC1=C(C(=O)[O-])SC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL300002227625	1	33	-2.0	-83.52	321.92	1.63	-81.89
COCC1=NC=C(C(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C(=O)[N-]1	REAL300002227955	1	35	-2.0	-91.21	327.20	0.15	-91.06
CC1=C(C(=O)[O-])SC(CNC(=O)C2=CN=C(C3CCC3)[N-]C2=O)=N1	REAL300002228003	1	38	-2.0	-92.04	341.12	3.05	-88.99
CC1=C(C(=O)[O-])SC(CNC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=N1	REAL300002228322	0	30	-2.0	-89.45	316.71	5.57	-83.88
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300002229561	1	42	-2.0	-100.93	369.18	5.09	-95.84
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(OCC(=O)[O-])C=C1	REAL300002229859	1	42	-2.0	-101.82	369.26	5.32	-96.50
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2=CC=C(OCC(=O)[O-])C=C2)C=C1	REAL300002229905	1	44	-2.0	-109.42	391.44	10.23	-99.19
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(OCC(=O)[O-])C=C2)O1	REAL300002230331	1	45	-2.0	-87.47	395.00	3.56	-83.91
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(OCC(=O)[O-])C=C2)O1	REAL300002230332	1	36	-2.0	-87.07	340.23	1.12	-85.95
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(OCC(=O)[O-])C=C1	REAL300002230595	0	39	-2.0	-100.76	348.09	4.41	-96.35
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=CC=C(OCC(=O)[O-])C=C2)=CS1	REAL300002230940	1	43	-2.0	-103.42	381.98	5.53	-97.89
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1=CC=C(OCC(=O)[O-])C=C1	REAL300002231173	0	39	-2.0	-94.23	354.20	4.49	-89.74
CC1=C(CC(=O)NC2=CC=C(OCC(=O)[O-])C=C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002231176	1	45	-2.0	-106.90	392.84	5.72	-101.18
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(OCC(=O)[O-])C=C1	REAL300002231179	1	45	-2.0	-102.30	390.76	6.10	-96.20
CC1=C(C(=O)NC2=CC=C(OCC(=O)[O-])C=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300002231260	1	45	-2.0	-89.24	372.09	5.90	-83.34
COC1=CC=C(C(=O)NC2=CC=C(OCC(=O)[O-])C=C2)C([O-])=C1	REAL300002231764	1	36	-2.0	-110.51	314.64	6.09	-104.42
O=C([O-])COC1=CC=C(NC(=O)C2=CC=C([O-])C(F)=C2)C=C1	REAL300002232324	1	32	-2.0	-91.44	293.62	5.34	-86.10
O=C([O-])COC1=CC=C(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C=C1	REAL300002232335	1	35	-2.0	-102.00	324.24	7.79	-94.21
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=C(OCC(=O)[O-])C=C2)C=N1	REAL300002232442	0	38	-2.0	-92.98	349.14	3.44	-89.54
O=C([O-])COC1=CC=C(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)C=C1	REAL300002232478	1	37	-2.0	-88.59	327.07	4.84	-83.75
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3=CC=C(OCC(=O)[O-])C=C3)=N2)=C1	REAL300002232538	0	48	-2.0	-111.08	408.44	8.48	-102.60
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(OCC(=O)[O-])C=C3)=N2)C=C1	REAL300002232539	0	48	-2.0	-109.78	408.37	8.48	-101.30
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(OCC(=O)[O-])C=C2)=N1	REAL300002232635	0	42	-2.0	-107.55	375.84	7.58	-99.97
O=C([O-])COC1=CC=C(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C=C1	REAL300002232640	0	39	-2.0	-109.18	354.58	6.63	-102.55
O=C([O-])COC1=CC=C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C=C1	REAL300002232682	0	37	-2.0	-109.49	328.03	7.42	-102.07
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC=C(OCC(=O)[O-])C=C3)=N2)=C1	REAL300002232849	0	42	-2.0	-114.57	372.93	7.21	-107.36
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(OCC(=O)[O-])C=C2)=N1	REAL300002232850	0	45	-2.0	-112.94	389.53	8.31	-104.63
CC1=C(CC(=O)NC2=CC=C(OCC(=O)[O-])C=C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002232928	1	45	-2.0	-105.55	392.11	5.67	-99.88
O=C([O-])COC1=CC=C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C=C1	REAL300002232990	0	32	-2.0	-89.67	309.61	5.90	-83.77
O=C([O-])COC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300002233112	0	35	-2.0	-99.24	312.56	4.20	-95.04
O=C([O-])COC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300002233112	1	35	-2.0	-99.26	312.61	4.21	-95.05
O=C([O-])COC1=CC=C(NC(=O)C2=CC=C([O-])C(Cl)=C2)C=C1	REAL300002233149	0	32	-2.0	-88.32	303.41	5.84	-82.48
CCOC1=CC(C(=O)NC2=CC=C(OCC(=O)[O-])C=C2)=CC(Cl)=C1[O-]	REAL300002233153	1	39	-2.0	-92.44	354.45	6.87	-85.57
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(OCC(=O)[O-])C=C3)=N2)C=C1	REAL300002233163	0	43	-2.0	-110.22	377.65	5.86	-104.36
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=C(OCC(=O)[O-])C=C2)=CO1	REAL300002233187	1	36	-2.0	-97.70	339.38	1.10	-96.60
O=C([O-])COC1=CC=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)C=C1	REAL300002233281	0	40	-2.0	-95.12	351.81	9.79	-85.33
O=C([O-])COC1=CC=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)C=C1	REAL300002233281	1	40	-2.0	-95.12	351.86	9.78	-85.34
O=C([O-])COC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300002233356	0	35	-2.0	-83.95	323.14	3.98	-79.97
O=C([O-])COC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300002233356	1	35	-2.0	-83.92	323.20	3.99	-79.93
COCC1=NC=C(C(=O)NC2=CC=C(OCC(=O)[O-])C=C2)C(=O)[N-]1	REAL300002233692	1	37	-2.0	-88.22	328.91	2.49	-85.73
O=C([O-])COC1=CC=C(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C=C1	REAL300002233740	1	40	-2.0	-88.50	342.82	5.39	-83.11
O=C([O-])COC1=CC=C(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C=C1	REAL300002234065	0	32	-2.0	-97.60	318.30	7.82	-89.78
CC1=C(CCC(=O)N(CC(C)C(=O)[O-])C2CC2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300002234930	1	54	-2.0	-112.82	419.54	8.18	-104.64
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N(CC(C)C(=O)[O-])C2CC2)C=C1	REAL300002235480	1	46	-2.0	-117.76	385.77	11.15	-106.61
CC(CN(C(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C1CC1)C(=O)[O-]	REAL300002235841	1	47	-2.0	-113.11	380.26	4.88	-108.23
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(CC(C)C(=O)[O-])C2CC2)O1	REAL300002235842	1	38	-2.0	-109.60	325.91	2.44	-107.16
CC(C)C(=O)[N-]C1=NC(CC(=O)N(CC(C)C(=O)[O-])C2CC2)=CS1	REAL300002236341	1	45	-2.0	-95.46	376.05	6.58	-88.88
CC1=C(CC(=O)N(CC(C)C(=O)[O-])C2CC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002236533	1	47	-2.0	-119.29	385.45	6.59	-112.70
CC(CN(C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1CC1)C(=O)[O-]	REAL300002237307	1	37	-2.0	-98.18	311.50	7.94	-90.24
CC(CN(C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C1CC1)C(=O)[O-]	REAL300002237383	0	40	-2.0	-107.10	339.30	4.17	-102.93
CC(CN(C(=O)C1=CN=C(C2CC2)[N-]C1=O)C1CC1)C(=O)[O-]	REAL300002237401	1	39	-2.0	-113.92	314.73	4.78	-109.14
CC(C)C1=CC(N2C=C([O-])C(C(=O)N(CC(C)C(=O)[O-])C3CC3)=N2)=CC=C1	REAL300002237449	0	50	-2.0	-125.35	399.04	9.98	-115.37
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N(CC(C)C(=O)[O-])C3CC3)=N2)C=C1	REAL300002237450	0	50	-2.0	-119.93	396.63	9.83	-110.10
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(CC(C)C(=O)[O-])C2CC2)=N1	REAL300002237502	0	44	-2.0	-112.94	360.98	8.45	-104.49
CC(CN(C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1CC1)C(=O)[O-]	REAL300002237507	0	41	-2.0	-112.16	340.82	7.99	-104.17
CC(CN(C(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1CC1)C(=O)[O-]	REAL300002237525	1	39	-2.0	-113.34	316.68	9.31	-104.03
CC(CN(C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C1CC1)C(=O)[O-]	REAL300002237543	0	41	-2.0	-86.30	356.40	5.12	-81.18
CC(CN(C(=O)C1=CN=C(I)C([O-])=C1)C1CC1)C(=O)[O-]	REAL300002237583	0	33	-2.0	-95.01	295.66	4.78	-90.23
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N(CC(C)C(=O)[O-])C3CC3)=N2)=C1	REAL300002237631	0	44	-2.0	-124.75	364.21	8.67	-116.08
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(CC(C)C(=O)[O-])C2CC2)=N1	REAL300002237632	0	47	-2.0	-120.59	377.74	9.60	-110.99
CC1=C(CC(=O)N(CC(C)C(=O)[O-])C2CC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002237674	1	47	-2.0	-116.80	384.23	6.55	-110.25
CC(CN(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1CC1)C(=O)[O-]	REAL300002237709	0	34	-2.0	-97.55	296.74	6.33	-91.22
COC1=C(C(=O)N(CC(C)C(=O)[O-])C2CC2)NC(=O)[N-]C1=O	REAL300002237715	1	37	-2.0	-106.90	313.01	0.70	-106.20
CCOC1=CC(C(=O)N(CC(C)C(=O)[O-])C2CC2)=CC(Cl)=C1[O-]	REAL300002237793	1	41	-2.0	-104.50	341.45	7.23	-97.27
CC(CN(C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C1CC1)C(=O)[O-]	REAL300002237796	0	44	-2.0	-131.15	374.28	8.74	-122.41
COC1=CC=C(N2C=C([O-])C(C(=O)N(CC(C)C(=O)[O-])C3CC3)=N2)C=C1	REAL300002237801	0	45	-2.0	-119.47	365.81	7.22	-112.25
C[N-]S(=O)(=O)C1=CC(C(=O)N(CC(C)C(=O)[O-])C2CC2)=CO1	REAL300002237812	1	38	-2.0	-94.46	324.84	1.82	-92.64
CC(CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1)C(=O)[O-]	REAL300002237918	0	37	-2.0	-97.30	311.75	6.08	-91.22
CC(CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1)C(=O)[O-]	REAL300002237918	1	37	-2.0	-97.23	311.83	6.08	-91.15
COCC1=NC=C(C(=O)N(CC(C)C(=O)[O-])C2CC2)C(=O)[N-]1	REAL300002238129	1	39	-2.0	-105.31	320.97	2.65	-102.66
CC(CN(C(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1CC1)C(=O)[O-]	REAL300002238163	1	42	-2.0	-115.03	331.31	5.35	-109.68
CC(CN(C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CC1)C(=O)[O-]	REAL300002238358	0	34	-2.0	-95.31	310.37	7.95	-87.36
CC1=C(CCC(=O)N2CCCC[C@@H]2C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300002238964	1	51	-2.0	-122.51	395.42	8.43	-114.08
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300002239493	1	43	-2.0	-140.95	358.34	11.06	-129.89
O=C([O-])[C@H]1CCCCN1C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300002239640	1	45	-2.0	-116.89	371.85	8.07	-108.82
O=C([O-])[C@H]1CCCCN1C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300002239641	1	45	-2.0	-128.67	372.65	8.01	-120.66
CC1=CC(C(=O)N2CCCC[C@@H]2C(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300002239652	0	41	-2.0	-101.41	353.98	6.20	-95.21
O=C([O-])[C@H]1CCCCN1C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300002239836	0	42	-2.0	-111.80	372.06	7.38	-104.42
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC[C@@H]2C(=O)[O-])O1	REAL300002239853	1	44	-2.0	-102.30	358.70	4.34	-97.96
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC[C@@H]2C(=O)[O-])O1	REAL300002239854	1	35	-2.0	-101.15	304.16	2.02	-99.13
O=C([O-])[C@H]1CCCCN1C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300002240082	0	42	-2.0	-126.78	364.61	7.02	-119.76
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCCC[C@@H]2C(=O)[O-])=CS1	REAL300002240336	1	42	-2.0	-132.46	349.33	6.60	-125.86
CC1=C(CC(=O)N2CCCC[C@@H]2C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002240508	1	44	-2.0	-139.42	359.19	6.79	-132.63
O=C([O-])[C@H]1CCCCN1C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300002240637	1	45	-2.0	-112.14	372.03	8.05	-104.09
O=C([O-])[C@H]1CCCCN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300002241169	1	34	-2.0	-126.16	297.36	8.44	-117.72
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCCC[C@@H]2C(=O)[O-])C=N1	REAL300002241235	0	37	-2.0	-110.01	320.23	4.48	-105.53
O=C([O-])[C@H]1CCCCN1C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300002241280	1	44	-2.0	-100.63	375.22	6.61	-94.02
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCCC[C@@H]3C(=O)[O-])=N2)=C1	REAL300002241294	0	47	-2.0	-150.36	372.41	9.68	-140.68
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCCC[C@@H]3C(=O)[O-])=N2)C=C1	REAL300002241295	0	47	-2.0	-148.86	371.83	9.58	-139.28
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCCC[C@@H]2C(=O)[O-])=N1	REAL300002241342	0	41	-2.0	-144.04	340.49	8.07	-135.97
O=C([O-])[C@H]1CCCCN1C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300002241346	0	38	-2.0	-146.90	318.79	7.86	-139.04
O=C([O-])[C@H]1CCCCN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300002241361	1	36	-2.0	-149.46	295.39	7.82	-141.64
O=C([O-])[C@H]1CCCCN1C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300002241377	0	38	-2.0	-112.51	334.19	5.44	-107.07
O=C([O-])[C@H]1CCCCN1C(=O)C1=CN=C(I)C([O-])=C1	REAL300002241407	0	30	-2.0	-106.28	280.62	5.48	-100.80
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCCC[C@@H]3C(=O)[O-])=N2)=C1	REAL300002241439	0	41	-2.0	-154.98	337.14	8.44	-146.54
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCCC[C@@H]2C(=O)[O-])=N1	REAL300002241440	0	44	-2.0	-147.84	355.44	8.70	-139.14
CC1=C(CC(=O)N2CCCC[C@@H]2C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002241465	1	44	-2.0	-137.86	360.27	6.82	-131.04
O=C([O-])[C@H]1CCCCN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300002241490	0	31	-2.0	-108.29	273.12	6.66	-101.63
CCOC1=CC(C(=O)N2CCCC[C@@H]2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300002241548	1	38	-2.0	-113.20	318.60	7.59	-105.61
O=C([O-])[C@H]1CCCCN1C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300002241551	0	41	-2.0	-152.13	331.46	8.51	-143.62
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCCC[C@@H]3C(=O)[O-])=N2)C=C1	REAL300002241555	0	42	-2.0	-148.47	341.11	6.97	-141.50
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCCC[C@@H]2C(=O)[O-])=CO1	REAL300002241565	1	35	-2.0	-113.09	308.38	2.18	-110.91
O=C([O-])[C@H]1CCCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300002241659	0	34	-2.0	-98.34	287.72	5.24	-93.10
O=C([O-])[C@H]1CCCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300002241659	1	34	-2.0	-98.29	287.79	5.25	-93.04
O=C([O-])[C@H]1CCCCN1C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300002241858	1	39	-2.0	-131.61	316.62	5.90	-125.71
O=C([O-])[C@H]1CCCCN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300002242011	0	31	-2.0	-122.02	291.54	8.48	-113.54
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])O1	REAL300002254181	1	42	-2.0	-102.84	383.15	2.38	-100.46
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C1=CC=C([O-])C(F)=C1	REAL300002255433	1	38	-2.0	-105.82	341.93	6.51	-99.31
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300002255445	1	41	-2.0	-123.28	365.45	9.07	-114.21
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)CCC1=N[N-]N=N1	REAL300002255489	0	38	-2.0	-102.88	339.38	4.55	-98.33
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)CCC1=NN=N[N-]1	REAL300002255489	1	38	-2.0	-102.89	339.44	4.57	-98.32
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300002255562	1	43	-2.0	-124.66	369.98	7.12	-117.54
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C1=CN=CC([O-])=C1	REAL300002255585	1	37	-2.0	-110.91	331.01	4.55	-106.36
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300002255687	1	43	-2.0	-140.29	370.66	8.77	-131.52
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300002255914	0	38	-2.0	-103.53	357.93	7.07	-96.46
COC1=C(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])NC(=O)[N-]C1=O	REAL300002255927	1	41	-2.0	-102.25	357.85	2.22	-100.03
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)CCCC1=N[N-]N=N1	REAL300002255997	0	41	-2.0	-112.87	360.88	5.33	-107.54
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)CCCC1=NN=N[N-]1	REAL300002255997	1	41	-2.0	-112.85	360.94	5.35	-107.50
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300002256025	0	38	-2.0	-103.98	351.97	6.94	-97.04
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])=CO1	REAL300002256046	1	42	-2.0	-109.71	387.70	2.24	-107.47
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300002256166	0	41	-2.0	-95.46	366.85	5.21	-90.25
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300002256166	1	41	-2.0	-95.42	366.92	5.21	-90.21
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C1=C[N-]N=CC1=O	REAL300002256360	0	36	-2.0	-107.46	312.46	5.08	-102.38
COCC1=NC=C(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C(=O)[N-]1	REAL300002256383	1	43	-2.0	-115.03	377.15	3.58	-111.45
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300002256419	1	46	-2.0	-124.89	385.73	7.66	-117.23
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300002256625	0	38	-2.0	-122.35	366.57	9.00	-113.35
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CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CCCCCC3)=N2)C=C1	REAL300002267775	0	53	-2.0	-142.04	399.77	9.99	-132.05
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C=CCN(CC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300002270101	1	42	-2.0	-105.40	369.82	7.05	-98.35
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C=CCN(CC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C)O1	REAL300002270289	1	32	-2.0	-94.89	303.20	1.36	-93.53
C=CCN(CC(=O)[O-])C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2)=C1	REAL300002270381	1	45	-2.0	-97.78	390.83	7.68	-90.10
C=CCN(CC(=O)[O-])C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2)=C1	REAL300002270406	1	45	-2.0	-98.37	393.63	7.80	-90.57
C=CCN(CC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300002270495	0	39	-2.0	-102.24	361.34	6.03	-96.21
C=CCN(CC(=O)[O-])C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300002270496	0	42	-2.0	-103.65	392.35	7.20	-96.45
C=CCN(CC(=O)[O-])C(=O)CC1=CSC([N-]C(=O)C(C)C)=N1	REAL300002270710	1	39	-2.0	-99.72	349.21	5.75	-93.97
C=CCN(CC(=O)[O-])C(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O	REAL300002270855	1	41	-2.0	-107.81	360.08	5.94	-101.87
C=CCN(CC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300002270983	1	42	-2.0	-100.02	369.90	6.98	-93.04
C=CCN(CC(=O)[O-])C(=O)C1=CC(Br)=C([O-])C(Br)=C1	REAL300002271359	0	28	-2.0	-92.06	289.09	6.34	-85.72
C=CCN(CC(=O)[O-])C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300002271395	1	31	-2.0	-122.47	286.21	7.31	-115.16
C=CCN(CC(=O)[O-])C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300002271451	0	34	-2.0	-111.66	312.44	3.18	-108.48
C=CCN(CC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300002271491	1	41	-2.0	-95.02	365.03	5.27	-89.75
C=CCN(CC(=O)[O-])C(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-]	REAL300002271505	0	44	-2.0	-130.19	371.51	9.01	-121.18
C=CCN(CC(=O)[O-])C(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-]	REAL300002271506	0	44	-2.0	-128.78	371.47	9.01	-119.77
C=CCN(CC(=O)[O-])C(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-]	REAL300002271542	0	38	-2.0	-126.57	335.95	7.75	-118.82
C=CCN(CC(=O)[O-])C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300002271545	0	35	-2.0	-126.37	317.67	7.16	-119.21
C=CCN(CC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300002271566	0	35	-2.0	-86.55	330.95	4.46	-82.09
C=CCN(CC(=O)[O-])C(=O)C1=CN=C(I)C([O-])=C1	REAL300002271592	0	27	-2.0	-94.14	272.89	4.20	-89.94
C=CCN(CC(=O)[O-])C(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-]	REAL300002271614	0	38	-2.0	-131.21	334.63	7.72	-123.49
C=CCN(CC(=O)[O-])C(=O)C1=NN(C2=CC=CC=C2CC)C=C1[O-]	REAL300002271615	0	41	-2.0	-132.01	349.62	8.73	-123.28
C=CCN(CC(=O)[O-])C(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O	REAL300002271628	1	41	-2.0	-105.86	359.35	5.89	-99.97
C=CCN(CC(=O)[O-])C(=O)C1=CC(Cl)=C([O-])C(OCC)=C1	REAL300002271678	1	35	-2.0	-103.20	318.17	6.70	-96.50
C=CCN(CC(=O)[O-])C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300002271681	0	38	-2.0	-140.16	346.67	7.95	-132.21
C=CCN(CC(=O)[O-])C(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-]	REAL300002271684	0	39	-2.0	-128.33	340.74	6.40	-121.93
C=CCN(CC(=O)[O-])C(=O)C1=COC(S(=O)(=O)[N-]C)=C1	REAL300002271693	1	32	-2.0	-106.66	296.67	0.81	-105.85
C=CCN(CC(=O)[O-])C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300002272026	0	28	-2.0	-99.73	278.43	7.38	-92.35
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])O1	REAL300002273347	1	41	-2.0	-112.15	371.74	4.61	-107.54
CC(C)C(=O)[N-]C1=NC(CC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=CS1	REAL300002273799	1	48	-2.0	-102.29	417.82	8.97	-93.32
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)C1=CC=C([O-])C(F)=C1	REAL300002274881	1	37	-2.0	-103.53	323.07	8.29	-95.24
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300002274892	1	40	-2.0	-105.63	354.30	10.51	-95.12
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)CCC1=N[N-]N=N1	REAL300002274926	0	37	-2.0	-97.69	326.89	6.86	-90.83
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)CCC1=NN=N[N-]1	REAL300002274926	1	37	-2.0	-97.66	326.94	6.87	-90.79
CS(=O)(=O)[N-]C1=CC=C(C(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C=N1	REAL300002274997	0	43	-2.0	-114.01	381.04	6.40	-107.61
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300002275022	1	42	-2.0	-125.59	368.13	7.81	-117.78
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)C1=CN=CC([O-])=C1	REAL300002275059	1	36	-2.0	-99.47	312.64	6.38	-93.09
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=N1	REAL300002275140	0	47	-2.0	-127.27	405.22	10.94	-116.33
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300002275145	0	44	-2.0	-125.13	384.50	10.35	-114.78
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300002275176	1	42	-2.0	-129.88	358.70	11.68	-118.20
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N(CCC3=CC=CC=C3)CC(=O)[O-])=N2)=C1	REAL300002275314	0	47	-2.0	-136.32	404.70	10.92	-125.40
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=N1	REAL300002275315	0	50	-2.0	-134.25	418.68	11.90	-122.35
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300002275426	0	37	-2.0	-98.73	339.08	8.84	-89.89
COC1=C(C(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])NC(=O)[N-]C1=O	REAL300002275437	1	40	-2.0	-101.99	357.24	2.93	-99.06
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL300002275517	0	40	-2.0	-96.78	348.39	7.64	-89.14
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL300002275517	1	40	-2.0	-96.78	348.44	7.65	-89.13
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300002275549	0	37	-2.0	-99.31	332.87	8.77	-90.54
CCOC1=CC(C(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=CC(Cl)=C1[O-]	REAL300002275553	1	44	-2.0	-105.19	386.76	9.92	-95.27
COC1=CC=C(N2C=C([O-])C(C(=O)N(CCC3=CC=CC=C3)CC(=O)[O-])=N2)C=C1	REAL300002275559	0	48	-2.0	-130.53	407.58	9.58	-120.95
C[N-]S(=O)(=O)C1=CC(C(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=CO1	REAL300002275575	1	41	-2.0	-107.95	369.50	4.22	-103.73
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300002275715	0	40	-2.0	-96.48	354.12	8.16	-88.32
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300002275715	1	40	-2.0	-96.51	354.18	8.17	-88.34
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)C1=C[N-]N=CC1=O	REAL300002275953	0	35	-2.0	-110.53	315.96	6.89	-103.64
COCC1=NC=C(C(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C(=O)[N-]1	REAL300002275977	1	42	-2.0	-123.19	369.97	5.46	-117.73
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300002276020	1	45	-2.0	-126.04	383.88	8.36	-117.68
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300002276267	0	37	-2.0	-103.54	347.02	10.62	-92.92
CC1=C(CCC(=O)NC2=CC(C(=O)[O-])=CS2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300002277042	1	45	-2.0	-98.76	387.30	6.11	-92.65
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC(C(=O)[O-])=CS2)=C1	REAL300002277395	1	35	-2.0	-98.05	329.47	3.93	-94.12
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC(C(=O)[O-])=CS1	REAL300002277707	1	35	-2.0	-99.07	329.54	4.15	-94.92
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC(C(=O)[O-])=CS2)O1	REAL300002278209	1	38	-2.0	-91.03	355.96	2.36	-88.67
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC(C(=O)[O-])=CS2)O1	REAL300002278210	1	29	-2.0	-90.69	300.51	-0.05	-90.74
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC(C(=O)[O-])=CS2)=C1	REAL300002278441	0	39	-2.0	-104.82	364.15	2.15	-102.67
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC(C(=O)[O-])=CS1	REAL300002278487	0	32	-2.0	-97.82	308.08	3.25	-94.57
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=CC(C(=O)[O-])=CS2)=CS1	REAL300002278861	1	36	-2.0	-99.75	342.27	4.35	-95.40
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1=CC(C(=O)[O-])=CS1	REAL300002279096	0	32	-2.0	-92.38	314.49	3.31	-89.07
CC1=C(CC(=O)NC2=CC(C(=O)[O-])=CS2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002279101	1	38	-2.0	-103.59	352.22	4.50	-99.09
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC(C(=O)[O-])=CS1	REAL300002279105	1	38	-2.0	-99.45	351.04	4.94	-94.51
CC1=C(C(=O)NC2=CC(C(=O)[O-])=CS2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300002279176	1	38	-2.0	-96.30	332.20	4.74	-91.56
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NC1=CC(C(=O)[O-])=CS1	REAL300002279926	0	38	-2.0	-102.65	353.96	5.50	-97.15
O=C([O-])C1=CSC(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])=C1	REAL300002280121	1	28	-2.0	-96.76	284.21	6.61	-90.15
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC(C(=O)[O-])=CS2)C=N1	REAL300002280220	0	31	-2.0	-94.84	309.13	2.28	-92.56
O=C([O-])C1=CSC(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)=C1	REAL300002280251	1	30	-2.0	-94.59	286.96	3.69	-90.90
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3=CC(C(=O)[O-])=CS3)=N2)=C1	REAL300002280305	0	41	-2.0	-108.78	368.72	7.31	-101.47
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=CC(C(=O)[O-])=CS3)=N2)C=C1	REAL300002280306	0	41	-2.0	-107.50	368.65	7.32	-100.18
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC(C(=O)[O-])=CS2)=N1	REAL300002280382	0	35	-2.0	-104.06	330.78	6.38	-97.68
O=C([O-])C1=CSC(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])=C1	REAL300002280387	0	32	-2.0	-105.57	314.87	5.46	-100.11
O=C([O-])C1=CSC(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)=C1	REAL300002280411	0	30	-2.0	-107.35	288.02	6.24	-101.11
O=C([O-])C1=CSC(NC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)=C1	REAL300002280431	0	32	-2.0	-85.31	330.34	3.58	-81.73
O=C([O-])C1=CSC(NC(=O)C2=CN=C(I)C([O-])=C2)=C1	REAL300002280480	0	24	-2.0	-87.64	269.58	3.28	-84.36
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC(C(=O)[O-])=CS3)=N2)=C1	REAL300002280543	0	35	-2.0	-111.47	333.21	6.04	-105.43
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC(C(=O)[O-])=CS2)=N1	REAL300002280544	0	38	-2.0	-109.01	342.73	7.18	-101.83
CC1=C(CC(=O)NC2=CC(C(=O)[O-])=CS2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002280604	1	38	-2.0	-102.29	352.41	4.49	-97.80
O=C([O-])C1=CSC(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)=C1	REAL300002280647	0	25	-2.0	-88.55	269.89	4.74	-83.81
CCOC1=CC(C(=O)NC2=CC(C(=O)[O-])=CS2)=CC(Cl)=C1[O-]	REAL300002280762	1	32	-2.0	-92.33	314.74	5.71	-86.62
O=C([O-])C1=CSC(NC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])=C1	REAL300002280766	0	35	-2.0	-112.62	338.36	6.82	-105.80
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC(C(=O)[O-])=CS3)=N2)C=C1	REAL300002280774	0	36	-2.0	-107.20	337.94	4.69	-102.51
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC(C(=O)[O-])=CS2)=CO1	REAL300002280794	1	29	-2.0	-93.95	299.66	-0.08	-94.03
O=C([O-])C1=CSC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)=C1	REAL300002280868	0	33	-2.0	-95.63	312.08	8.62	-87.01
O=C([O-])C1=CSC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)=C1	REAL300002280868	1	33	-2.0	-95.71	312.13	8.61	-87.10
O=C([O-])C1=CSC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300002280925	0	28	-2.0	-85.50	283.48	2.83	-82.67
O=C([O-])C1=CSC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300002280925	1	28	-2.0	-85.51	283.42	2.82	-82.69
COCC1=NC=C(C(=O)NC2=CC(C(=O)[O-])=CS2)C(=O)[N-]1	REAL300002281197	1	30	-2.0	-93.78	288.80	1.35	-92.43
O=C([O-])C1=CSC(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)=C1	REAL300002281236	1	33	-2.0	-94.64	302.71	4.24	-90.40
O=C([O-])C1=CSC(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=C1	REAL300002281497	0	25	-2.0	-93.66	278.28	6.65	-87.01
CC1=C(C(=O)NC2=CC(C(=O)[O-])=CS2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300002281758	0	33	-2.0	-99.39	312.69	3.82	-95.57
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300002282585	1	47	-2.0	-101.02	398.08	6.86	-94.16
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300002282855	1	47	-2.0	-102.16	398.15	7.09	-95.07
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(CC(C)C(=O)[O-])C=C2)O1	REAL300002283271	1	41	-2.0	-87.69	370.24	2.90	-84.79
CC(CC1=CC=C(NC(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300002283508	0	44	-2.0	-101.11	377.50	6.22	-94.89
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=CC=C(CC(C)C(=O)[O-])C=C2)=CS1	REAL300002283843	1	48	-2.0	-103.79	410.87	7.30	-96.49
CC(CC1=CC=C(NC(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300002284059	0	44	-2.0	-94.37	383.37	6.25	-88.12
CC1=C(C(=O)NC2=CC=C(CC(C)C(=O)[O-])C=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300002284147	1	50	-2.0	-89.35	401.76	7.70	-81.65
COC1=CC=C(C(=O)NC2=CC=C(CC(C)C(=O)[O-])C=C2)C([O-])=C1	REAL300002284643	1	41	-2.0	-109.50	344.66	7.89	-101.61
CC(CC1=CC=C(NC(=O)C2=CC=C([O-])C(F)=C2)C=C1)C(=O)[O-]	REAL300002285206	1	37	-2.0	-91.87	323.32	7.14	-84.73
CC(CC1=CC=C(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C=C1)C(=O)[O-]	REAL300002285219	1	40	-2.0	-102.24	353.64	9.58	-92.66
CC(CC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1)C(=O)[O-]	REAL300002285259	0	37	-2.0	-89.89	320.75	5.21	-84.68
CC(CC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1)C(=O)[O-]	REAL300002285259	1	37	-2.0	-89.89	320.80	5.23	-84.66
CC(CC1=CC=C(NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C=C1)C(=O)[O-]	REAL300002285349	0	43	-2.0	-93.17	378.54	5.24	-87.93
CC(CC1=CC=C(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)C=C1)C(=O)[O-]	REAL300002285385	1	42	-2.0	-88.83	355.96	6.62	-82.21
CC(CC1=CC=C(NC(=O)C2=CN=CC([O-])=C2)C=C1)C(=O)[O-]	REAL300002285429	1	36	-2.0	-94.96	311.34	5.24	-89.72
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(CC(C)C(=O)[O-])C=C2)=N1	REAL300002285541	0	47	-2.0	-108.14	405.04	9.35	-98.79
CC(CC1=CC=C(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C=C1)C(=O)[O-]	REAL300002285546	0	44	-2.0	-107.90	384.33	8.43	-99.47
CC(CC1=CC=C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C=C1)C(=O)[O-]	REAL300002285592	0	42	-2.0	-109.41	356.63	9.18	-100.23
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC=C(CC(C)C(=O)[O-])C=C3)=N2)=C1	REAL300002285759	0	47	-2.0	-115.43	402.13	8.98	-106.45
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(CC(C)C(=O)[O-])C=C2)=N1	REAL300002285760	0	50	-2.0	-111.65	419.29	10.10	-101.55
CC(CC1=CC=C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C=C1)C(=O)[O-]	REAL300002285897	0	37	-2.0	-89.72	338.73	7.66	-82.06
CC(CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1)C(=O)[O-]	REAL300002286018	0	40	-2.0	-99.60	342.25	5.99	-93.61
CC(CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1)C(=O)[O-]	REAL300002286018	1	40	-2.0	-99.57	342.31	6.01	-93.56
CC(CC1=CC=C(NC(=O)C2=CC=C([O-])C(Cl)=C2)C=C1)C(=O)[O-]	REAL300002286058	0	37	-2.0	-88.40	332.30	7.61	-80.79
CCOC1=CC(C(=O)NC2=CC=C(CC(C)C(=O)[O-])C=C2)=CC(Cl)=C1[O-]	REAL300002286062	1	44	-2.0	-92.52	383.34	8.64	-83.88
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(CC(C)C(=O)[O-])C=C3)=N2)C=C1	REAL300002286071	0	48	-2.0	-110.54	406.82	7.63	-102.91
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=C(CC(C)C(=O)[O-])C=C2)=CO1	REAL300002286095	1	41	-2.0	-97.85	369.08	2.90	-94.95
CC(CC1=CC=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)C=C1)C(=O)[O-]	REAL300002286189	0	45	-2.0	-95.37	380.93	11.55	-83.82
CC(CC1=CC=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)C=C1)C(=O)[O-]	REAL300002286189	1	45	-2.0	-95.35	380.98	11.54	-83.81
CC(CC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1)C(=O)[O-]	REAL300002286263	0	40	-2.0	-84.38	352.83	5.79	-78.59
CC(CC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1)C(=O)[O-]	REAL300002286263	1	40	-2.0	-84.34	352.90	5.79	-78.55
CC(CC1=CC=C(NC(=O)C2=C[N-]N=CC2=O)C=C1)C(=O)[O-]	REAL300002286562	0	35	-2.0	-81.21	303.54	5.67	-75.54
COCC1=NC=C(C(=O)NC2=CC=C(CC(C)C(=O)[O-])C=C2)C(=O)[N-]1	REAL300002286598	1	42	-2.0	-88.89	358.61	4.31	-84.58
CC(CC1=CC=C(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C=C1)C(=O)[O-]	REAL300002286648	1	45	-2.0	-89.13	372.52	7.20	-81.93
CC(CC1=CC=C(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C=C1)C(=O)[O-]	REAL300002286976	0	37	-2.0	-97.50	346.90	9.59	-87.91
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2(C(=O)[O-])CCOCC2)=C1	REAL300002288216	0	45	-2.0	-103.24	364.90	3.02	-100.22
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300002288525	0	45	-2.0	-104.69	366.60	3.21	-101.48
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC2(C(=O)[O-])CCOCC2)C=C1	REAL300002288572	1	47	-2.0	-113.91	388.96	8.13	-105.78
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2(C(=O)[O-])CCOCC2)O1	REAL300002289008	1	48	-2.0	-99.01	393.34	1.26	-97.75
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2(C(=O)[O-])CCOCC2)O1	REAL300002289009	1	39	-2.0	-98.53	337.58	-1.01	-99.54
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300002289282	0	42	-2.0	-103.27	345.13	2.32	-100.95
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC2(C(=O)[O-])CCOCC2)=CS1	REAL300002289633	1	46	-2.0	-100.55	377.70	3.44	-97.11
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300002289871	0	42	-2.0	-97.28	349.92	2.41	-94.87
CC1=C(CC(=O)NCC2(C(=O)[O-])CCOCC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002289874	1	48	-2.0	-103.17	390.26	3.38	-99.79
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300002289877	0	48	-2.0	-105.17	388.10	3.99	-101.18
CC1=C(C(=O)NCC2(C(=O)[O-])CCOCC2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300002289958	1	48	-2.0	-112.85	368.91	3.55	-109.30
O=C([O-])C1(CNC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CCOCC1	REAL300002290991	1	38	-2.0	-100.94	322.27	5.60	-95.34
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC2(C(=O)[O-])CCOCC2)C=N1	REAL300002291099	0	41	-2.0	-101.54	346.19	1.34	-100.20
O=C([O-])C1(CNC(=O)C2=CN=C(C3CC3)[N-]C2=O)CCOCC1	REAL300002291133	1	40	-2.0	-111.25	324.00	2.74	-108.51
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCC3(C(=O)[O-])CCOCC3)=N2)=C1	REAL300002291192	0	51	-2.0	-122.40	404.16	6.42	-115.98
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC3(C(=O)[O-])CCOCC3)=N2)C=C1	REAL300002291193	0	51	-2.0	-119.74	404.09	6.42	-113.32
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC2(C(=O)[O-])CCOCC2)=N1	REAL300002291284	0	45	-2.0	-115.73	371.65	5.53	-110.20
O=C([O-])C1(CNC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CCOCC1	REAL300002291289	0	42	-2.0	-115.80	350.31	4.56	-111.24
O=C([O-])C1(CNC(=O)C2=C([O-])C3=CC=CC=C3C=N2)CCOCC1	REAL300002291321	1	40	-2.0	-120.70	325.09	5.39	-115.31
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC3(C(=O)[O-])CCOCC3)=N2)=C1	REAL300002291480	0	45	-2.0	-123.59	368.65	5.15	-118.44
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC2(C(=O)[O-])CCOCC2)=N1	REAL300002291481	0	48	-2.0	-121.96	385.14	6.23	-115.73
CC1=C(CC(=O)NCC2(C(=O)[O-])CCOCC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002291552	1	48	-2.0	-101.34	390.44	3.38	-97.96
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O=C([O-])CCC(CC1=CC=CC=C1)NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300002309468	1	43	-2.0	-118.08	373.22	10.11	-107.97
O=C([O-])CCC(CC1=CC=CC=C1)NC(=O)CCC1=N[N-]N=N1	REAL300002309509	0	40	-2.0	-98.58	340.34	5.75	-92.83
O=C([O-])CCC(CC1=CC=CC=C1)NC(=O)CCC1=NN=N[N-]1	REAL300002309509	1	40	-2.0	-98.59	340.40	5.76	-92.83
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(CCC(=O)[O-])CC2=CC=CC=C2)C=N1	REAL300002309572	0	46	-2.0	-103.05	398.11	5.79	-97.26
O=C([O-])CCC(CC1=CC=CC=C1)NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300002309594	1	45	-2.0	-104.48	376.35	7.18	-97.30
O=C([O-])CCC(CC1=CC=CC=C1)NC(=O)C1=CN=CC([O-])=C1	REAL300002309626	1	39	-2.0	-106.90	331.73	5.80	-101.10
O=C([O-])CCC(CC1=CC=CC=C1)NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300002309708	0	47	-2.0	-127.75	403.81	8.96	-118.79
O=C([O-])CCC(CC1=CC=CC=C1)NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300002309740	1	45	-2.0	-128.86	376.96	9.75	-119.11
O=C([O-])CCC(CC1=CC=CC=C1)NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300002309977	0	40	-2.0	-98.44	358.89	8.25	-90.19
COC1=C(C(=O)NC(CCC(=O)[O-])CC2=CC=CC=C2)NC(=O)[N-]C1=O	REAL300002309990	1	43	-2.0	-101.98	365.03	3.21	-98.77
O=C([O-])CCC(CC1=CC=CC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300002310066	0	43	-2.0	-108.09	361.78	6.54	-101.55
O=C([O-])CCC(CC1=CC=CC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300002310066	1	43	-2.0	-108.06	361.84	6.55	-101.51
O=C([O-])CCC(CC1=CC=CC=C1)NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300002310097	0	40	-2.0	-100.49	352.63	8.19	-92.30
CCOC1=CC(C(=O)NC(CCC(=O)[O-])CC2=CC=CC=C2)=CC(Cl)=C1[O-]	REAL300002310101	1	47	-2.0	-102.96	403.73	9.23	-93.73
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CCC(=O)[O-])CC2=CC=CC=C2)=CO1	REAL300002310122	1	44	-2.0	-107.07	388.59	3.44	-103.63
O=C([O-])CCC(CC1=CC=CC=C1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300002310258	0	43	-2.0	-91.55	372.36	6.34	-85.21
O=C([O-])CCC(CC1=CC=CC=C1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300002310258	1	43	-2.0	-91.56	372.43	6.34	-85.22
O=C([O-])CCC(CC1=CC=CC=C1)NC(=O)C1=C[N-]N=CC1=O	REAL300002310479	0	38	-2.0	-95.78	323.94	6.25	-89.53
COCC1=NC=C(C(=O)NC(CCC(=O)[O-])CC2=CC=CC=C2)C(=O)[N-]1	REAL300002310502	1	45	-2.0	-104.15	377.50	4.86	-99.29
O=C([O-])CCC(CC1=CC=CC=C1)NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300002310544	1	48	-2.0	-104.64	392.10	7.72	-96.92
O=C([O-])CCC(CC1=CC=CC=C1)NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300002310773	0	40	-2.0	-113.21	367.32	10.16	-103.05
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC(C(=O)[O-])C2CCCOC2)C=C1	REAL300002312088	1	47	-2.0	-113.22	392.30	8.19	-105.03
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C2CCCOC2)O1	REAL300002312445	1	48	-2.0	-97.00	395.12	1.57	-95.43
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C2CCCOC2)O1	REAL300002312446	1	39	-2.0	-97.43	346.43	-0.68	-98.11
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(C(=O)[O-])C2CCCOC2)=CS1	REAL300002312933	1	46	-2.0	-115.60	382.70	3.46	-112.14
CC1=C(CC(=O)NC(C(=O)[O-])C2CCCOC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002313129	1	48	-2.0	-126.19	392.97	3.73	-122.46
O=C([O-])C(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1CCCOC1	REAL300002314006	1	38	-2.0	-116.89	328.17	6.10	-110.79
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(C(=O)[O-])C2CCCOC2)C=N1	REAL300002314092	0	41	-2.0	-103.75	349.55	1.39	-102.36
O=C([O-])C(NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C1CCCOC1	REAL300002314114	1	40	-2.0	-111.62	332.52	3.13	-108.49
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3CCCOC3)=N2)=C1	REAL300002314166	0	51	-2.0	-131.72	411.73	6.67	-125.05
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3CCCOC3)=N2)C=C1	REAL300002314167	0	51	-2.0	-130.59	409.10	6.43	-124.16
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(C(=O)[O-])C2CCCOC2)=N1	REAL300002314229	0	45	-2.0	-126.38	379.21	5.78	-120.60
O=C([O-])C(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1CCCOC1	REAL300002314234	0	42	-2.0	-127.25	357.88	4.82	-122.43
O=C([O-])C(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1CCCOC1	REAL300002314259	1	40	-2.0	-133.23	333.93	5.72	-127.51
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3CCCOC3)=N2)=C1	REAL300002314389	0	45	-2.0	-134.88	373.05	5.23	-129.65
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(C(=O)[O-])C2CCCOC2)=N1	REAL300002314390	0	48	-2.0	-132.63	385.73	6.54	-126.09
CC1=C(CC(=O)NC(C(=O)[O-])C2CCCOC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002314440	1	48	-2.0	-125.05	392.82	3.60	-121.45
O=C([O-])C(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1CCCOC1	REAL300002314485	0	35	-2.0	-96.83	310.32	3.85	-92.98
COC1=C(C(=O)NC(C(=O)[O-])C2CCCOC2)NC(=O)[N-]C1=O	REAL300002314492	1	38	-2.0	-96.56	319.03	-0.83	-97.39
O=C([O-])C(NC(=O)C1=CC=C([O-])C(Cl)=C1)C1CCCOC1	REAL300002314586	0	35	-2.0	-98.11	303.51	3.86	-94.25
CCOC1=CC(C(=O)NC(C(=O)[O-])C2CCCOC2)=CC(Cl)=C1[O-]	REAL300002314589	1	42	-2.0	-101.75	355.16	4.83	-96.92
COC1=CC=C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3CCCOC3)=N2)C=C1	REAL300002314597	0	46	-2.0	-130.15	377.79	3.88	-126.27
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C(=O)[O-])C2CCCOC2)=CO1	REAL300002314611	1	39	-2.0	-101.38	339.51	-0.90	-102.28
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCOC1	REAL300002314738	0	38	-2.0	-89.99	326.42	2.16	-87.83
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCOC1	REAL300002314738	1	38	-2.0	-90.00	326.49	2.17	-87.83
COCC1=NC=C(C(=O)NC(C(=O)[O-])C2CCCOC2)C(=O)[N-]1	REAL300002314980	1	40	-2.0	-109.37	332.67	0.73	-108.64
O=C([O-])C(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1CCCOC1	REAL300002315017	1	43	-2.0	-111.99	348.67	3.61	-108.38
O=C([O-])C(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CCCOC1	REAL300002315248	0	35	-2.0	-113.38	318.70	5.85	-107.53
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300002320782	1	35	-2.0	-89.08	324.83	4.08	-85.00
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)C1=CC=CC(OCC(=O)[O-])=C1	REAL300002320783	1	39	-2.0	-95.13	355.92	4.36	-90.77
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300002320784	1	35	-2.0	-97.11	324.01	4.08	-93.03
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)C1=CC=C(C(=O)[O-])S1	REAL300002320785	1	32	-2.0	-88.89	319.13	3.24	-85.65
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)C1=CC=CC(C(=O)[O-])=N1	REAL300002320786	1	34	-2.0	-101.01	322.12	2.35	-98.66
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)CCC1=CC=C(C(=O)[O-])C=C1	REAL300002320787	1	41	-2.0	-94.05	370.92	5.55	-88.50
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300002320788	1	34	-2.0	-96.71	320.10	2.31	-94.40
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)C=CC1=CC=C(C(=O)[O-])C=C1	REAL300002320789	1	39	-2.0	-92.32	358.50	5.27	-87.05
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300002320790	1	37	-2.0	-85.29	352.19	4.75	-80.54
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300002320791	1	37	-2.0	-85.29	352.19	4.75	-80.54
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)C1=CC=C(C(=O)[O-])O1	REAL300002320792	1	32	-2.0	-90.80	310.44	2.47	-88.33
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)CCC1=CC=CC=C1C(=O)[O-]	REAL300002320793	1	41	-2.0	-104.19	360.24	5.30	-98.89
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300002320794	1	38	-2.0	-103.51	348.69	4.74	-98.77
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)C1CCCC(C(=O)[O-])C1	REAL300002320795	1	41	-2.0	-97.89	350.65	4.29	-93.60
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300002320796	1	34	-2.0	-90.01	319.88	2.29	-87.72
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)C1=CC=C(C(=O)[O-])C=N1	REAL300002320797	1	34	-2.0	-86.84	322.25	2.35	-84.49
CC(C)(CC(=O)[O-])CC(=O)NC1=CC=C(F)C=C1[N-]S(C)(=O)=O	REAL300002320798	1	40	-2.0	-91.49	333.18	3.49	-88.00
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300002320799	1	35	-2.0	-87.68	329.36	4.14	-83.54
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)C1=CN=C(C(=O)[O-])C=N1	REAL300002320800	1	33	-2.0	-86.33	317.81	0.50	-85.83
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300002320801	1	41	-2.0	-90.93	351.17	4.30	-86.63
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)C1CCC(C(=O)[O-])CC1	REAL300002320802	1	41	-2.0	-90.59	349.91	4.31	-86.28
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300002320803	1	38	-2.0	-98.84	348.68	4.75	-94.09
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)CN1C=C(C(=O)[O-])N=N1	REAL300002320804	1	34	-2.0	-101.29	325.83	0.73	-100.56
CC1=NC(C(=O)NC2=CC=C(F)C=C2[N-]S(C)(=O)=O)=CC=C1C(=O)[O-]	REAL300002320805	1	37	-2.0	-85.64	337.39	2.84	-82.80
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300002320806	1	35	-2.0	-89.08	324.83	4.08	-85.00
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300002320807	1	38	-2.0	-98.26	331.16	3.65	-94.61
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300002320808	1	38	-2.0	-96.18	346.20	4.83	-91.35
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)C1=C(CC(=O)[O-])OC=C1	REAL300002320809	1	35	-2.0	-102.35	327.29	3.00	-99.35
CC1=COC(CC(=O)[O-])=C1C(=O)NC1=CC=C(F)C=C1[N-]S(C)(=O)=O	REAL300002320810	1	38	-2.0	-106.31	353.30	3.60	-102.71
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300002320811	1	34	-2.0	-92.48	321.60	2.35	-90.13
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)CC1CCC(C(=O)[O-])CC1	REAL300002320812	1	44	-2.0	-97.00	360.46	4.75	-92.25
CC(C)(CC(=O)[O-])CC(=O)NC1=CC=C(F)C=C1[N-]S(C)(=O)=O	REAL300002320813	1	40	-2.0	-91.49	333.18	3.49	-88.00
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)CCCC(=O)[O-]	REAL300002320814	1	34	-2.0	-95.73	310.82	2.68	-93.05
CC(CC(=O)[O-])CC(=O)NC1=CC=C(F)C=C1[N-]S(C)(=O)=O	REAL300002320815	1	37	-2.0	-93.98	323.43	3.11	-90.87
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)C1=CC=NC2=C(C(=O)[O-])C=NN21	REAL300002320816	1	37	-2.0	-103.12	346.69	3.38	-99.74
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)C1=NOC(C(=O)[O-])=C1	REAL300002320817	1	31	-2.0	-83.76	305.71	1.65	-82.11
CC1=C(C(=O)NC2=CC=C(F)C=C2[N-]S(C)(=O)=O)C=C(C(=O)[O-])O1	REAL300002320818	1	35	-2.0	-92.67	327.98	3.23	-89.44
CC1=C(C(=O)[O-])OC(C(=O)NC2=CC=C(F)C=C2[N-]S(C)(=O)=O)=C1	REAL300002320819	1	35	-2.0	-92.16	329.20	3.04	-89.12
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)CN1C=C(C(=O)[O-])C=N1	REAL300002320820	1	35	-2.0	-98.69	330.76	2.22	-96.47
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)C1=CC=C(C=CC(=O)[O-])O1	REAL300002320821	1	36	-2.0	-94.07	343.55	3.68	-90.39
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002320822	1	39	-2.0	-88.74	355.02	4.36	-84.38
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)CCSCC(=O)[O-]	REAL300002320823	1	35	-2.0	-89.16	333.85	3.26	-85.90
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)C1=CC=C(C(=O)[O-])C=N1	REAL300002320824	1	34	-2.0	-86.84	322.25	2.35	-84.49
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)COCC(=O)[O-]	REAL300002320825	1	32	-2.0	-98.31	302.95	1.83	-96.48
CN1N=C(C(=O)[O-])C=C1C(=O)NC1=CC=C(F)C=C1[N-]S(C)(=O)=O	REAL300002320826	1	35	-2.0	-93.77	325.07	1.94	-91.83
C[C@@H]1C[C@H](C(=O)NC2=CC=C(F)C=C2[N-]S(C)(=O)=O)O[C@H]1C(=O)[O-]	REAL300002320827	1	39	-2.0	-96.23	347.21	3.50	-92.73
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300002320828	1	38	-2.0	-91.21	347.02	4.85	-86.36
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300002320829	1	39	-2.0	-90.79	355.47	5.37	-85.42
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)C=CC1=CC(C(=O)[O-])=CO1	REAL300002320830	1	36	-2.0	-90.76	343.90	3.52	-87.24
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)COCC1=C(C(=O)[O-])N=CO1	REAL300002320831	1	38	-2.0	-108.48	357.62	-0.29	-108.77
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)C=CC1=CC=C(C(=O)[O-])O1	REAL300002320832	1	36	-2.0	-92.87	344.59	3.87	-89.00
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300002320833	1	38	-2.0	-98.26	331.16	3.65	-94.61
CC1=CC=C(C(=O)NC2=CC=C(F)C=C2[N-]S(C)(=O)=O)C=C1C(=O)[O-]	REAL300002320834	1	38	-2.0	-96.96	339.51	4.62	-92.34
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300002320835	1	34	-2.0	-89.16	319.18	2.29	-86.87
CC1=NC=C(C(=O)[O-])C=C1C(=O)NC1=CC=C(F)C=C1[N-]S(C)(=O)=O	REAL300002320836	1	37	-2.0	-90.08	335.16	2.94	-87.14
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)CN1C=CC(C(=O)[O-])=N1	REAL300002320837	1	35	-2.0	-111.11	330.09	2.24	-108.87
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)CCCN1C=CC(C(=O)[O-])=N1	REAL300002320838	1	41	-2.0	-110.53	374.53	3.61	-106.92
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300002320839	1	35	-2.0	-110.73	310.45	3.89	-106.84
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	REAL300002320840	1	42	-2.0	-99.37	368.39	3.89	-95.48
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	REAL300002320841	1	42	-2.0	-91.89	366.22	2.88	-89.01
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300002320842	1	35	-2.0	-110.73	310.45	3.89	-106.84
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)[C@H]1C[C@H]1C(=O)[O-]	REAL300002320843	1	32	-2.0	-111.78	296.99	3.13	-108.65
CC1=C(C(=O)NC2=CC=C(F)C=C2[N-]S(C)(=O)=O)OC(C(=O)[O-])=C1	REAL300002320844	1	35	-2.0	-92.15	329.05	3.15	-89.00
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)[O-]	REAL300002320845	1	43	-2.0	-108.43	347.18	5.27	-103.16
CCC(C(=O)[O-])C(=O)NC1=CC=C(F)C=C1[N-]S(C)(=O)=O	REAL300002320846	1	34	-2.0	-99.56	308.70	2.48	-97.08
CC(C)C(C(=O)[O-])C(=O)NC1=CC=C(F)C=C1[N-]S(C)(=O)=O	REAL300002320847	1	37	-2.0	-97.29	325.00	3.08	-94.21
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	REAL300002320848	1	41	-2.0	-108.66	338.05	4.70	-103.96
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)[C@@H]1C[C@H]1C(=O)[O-]	REAL300002320850	1	32	-2.0	-91.44	301.99	2.62	-88.82
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)C1CC2(CC2C(=O)[O-])C1	REAL300002320851	1	39	-2.0	-93.53	346.39	4.43	-89.10
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300002320852	1	35	-2.0	-98.16	316.15	3.07	-95.09
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)NC1=CC=C(F)C=C1[N-]S(C)(=O)=O	REAL300002320853	1	41	-2.0	-111.88	354.30	5.16	-106.72
CC1=CC=C(C(=O)[O-])C=C1C(=O)NC1=CC=C(F)C=C1[N-]S(C)(=O)=O	REAL300002320854	1	38	-2.0	-97.24	340.39	4.76	-92.48
CC1(C(=O)[O-])CC(C(=O)NC2=CC=C(F)C=C2[N-]S(C)(=O)=O)C1	REAL300002320855	1	38	-2.0	-89.82	333.13	3.50	-86.32
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)C1=CC(C(=O)[O-])=NN1	REAL300002320856	1	32	-2.0	-91.19	308.73	0.49	-90.70
CC1=C(C(=O)[O-])C=NC=C1C(=O)NC1=CC=C(F)C=C1[N-]S(C)(=O)=O	REAL300002320857	1	37	-2.0	-87.07	329.43	2.85	-84.22
CCCC(C(=O)[O-])C(=O)NC1=CC=C(F)C=C1[N-]S(C)(=O)=O	REAL300002320858	1	37	-2.0	-100.14	330.19	3.26	-96.88
CC1=CC(C(=O)[O-])=CC=C1C(=O)NC1=CC=C(F)C=C1[N-]S(C)(=O)=O	REAL300002320859	1	38	-2.0	-89.20	340.42	4.74	-84.46
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300002320860	1	35	-2.0	-87.12	337.32	4.58	-82.54
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)C1CC2(CC(C(=O)[O-])C2)C1	REAL300002320861	1	42	-2.0	-91.88	364.96	4.95	-86.93
COC1=CC(C(=O)[O-])=NC(C(=O)NC2=CC=C(F)C=C2[N-]S(C)(=O)=O)=C1	REAL300002320862	1	38	-2.0	-97.29	352.68	1.67	-95.62
CN1C(C(=O)[O-])=CC=C1C(=O)NC1=CC=C(F)C=C1[N-]S(C)(=O)=O	REAL300002320863	1	36	-2.0	-88.42	324.79	3.51	-84.91
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300002320864	1	41	-2.0	-89.05	368.42	5.65	-83.40
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)CC1(CC(=O)[O-])CC1	REAL300002320865	1	38	-2.0	-97.10	334.57	3.83	-93.27
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)C1CC2(C1)C(C(=O)[O-])C2(F)F	REAL300002320866	1	39	-2.0	-89.20	358.09	4.57	-84.63
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)C1=CSC(C(=O)[O-])=N1	REAL300002320867	1	31	-2.0	-94.54	313.68	1.22	-93.32
COC(C(=O)[O-])C(=O)NC1=CC=C(F)C=C1[N-]S(C)(=O)=O	REAL300002320868	1	32	-2.0	-99.01	299.17	1.69	-97.32
C[C@]1(C(=O)NC2=CC=C(F)C=C2[N-]S(C)(=O)=O)C[C@H]1C(=O)[O-]	REAL300002320869	1	35	-2.0	-110.38	314.46	4.03	-106.35
CC1=C(C(=O)NC2=CC=C(F)C=C2[N-]S(C)(=O)=O)C=C(C(=O)[O-])S1	REAL300002320870	1	35	-2.0	-94.47	334.11	3.92	-90.55
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)CCC1=CC=CN=C1C(=O)[O-]	REAL300002320871	1	40	-2.0	-104.52	356.98	3.54	-100.98
CC(C(=O)[O-])C(=O)NC1=CC=C(F)C=C1[N-]S(C)(=O)=O	REAL300002320872	1	31	-2.0	-98.30	285.26	2.60	-95.70
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)/C=C/C1=CC=C(C(=O)[O-])C=C1	REAL300002320873	1	39	-2.0	-92.49	359.36	5.28	-87.21
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CS2	REAL300002320874	1	36	-2.0	-94.79	350.02	3.09	-91.70
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)C1=CC2=C(C=C(C(=O)[O-])S2)N1	REAL300002320875	1	36	-2.0	-87.69	349.37	3.24	-84.45
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CO2	REAL300002320876	1	36	-2.0	-92.63	341.37	2.22	-90.41
CC1=C(C(=O)[O-])C=CC=C1C(=O)NC1=CC=C(F)C=C1[N-]S(C)(=O)=O	REAL300002320877	1	38	-2.0	-93.88	333.92	4.64	-89.24
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)C=CC1=CC=C(C(=O)[O-])N=C1	REAL300002320878	1	38	-2.0	-94.81	355.12	3.50	-91.31
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)C1=CC(C(=O)[O-])=CS1	REAL300002320879	1	32	-2.0	-93.02	317.22	3.10	-89.92
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-]	REAL300002320880	1	40	-2.0	-112.93	342.50	2.49	-110.44
CC(C)[C@]1(C(=O)NC2=CC=C(F)C=C2[N-]S(C)(=O)=O)C[C@H]1C(=O)[O-]	REAL300002320881	1	41	-2.0	-113.98	354.81	4.71	-109.27
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NC1=CC=C(F)C=C1[N-]S(C)(=O)=O	REAL300002320882	1	41	-2.0	-99.14	365.38	5.22	-93.92
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)CC1=CC(C(=O)[O-])=CS1	REAL300002320883	1	35	-2.0	-100.39	340.23	3.89	-96.50
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)CC1=CC=C(C(=O)[O-])C(F)=C1	REAL300002320884	1	38	-2.0	-101.00	353.23	4.78	-96.22
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NC1=CC=C(F)C=C1[N-]S(C)(=O)=O	REAL300002320885	1	38	-2.0	-108.59	328.80	3.90	-104.69
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC(C(=O)[O-])=C(C)C=C2C)=C1	REAL300002329102	1	44	-2.0	-124.06	371.62	6.19	-117.87
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC(C(=O)[O-])=C(C)C=C1C	REAL300002329400	1	44	-2.0	-125.11	372.13	6.43	-118.68
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2=CC(C(=O)[O-])=C(C)C=C2C)C=C1	REAL300002329445	1	46	-2.0	-139.35	397.43	11.43	-127.92
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300002329875	1	47	-2.0	-101.09	401.88	4.74	-96.35
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC(C(=O)[O-])=C(C)C=C2C)O1	REAL300002329876	1	38	-2.0	-100.39	346.42	2.32	-98.07
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O	REAL300002330145	0	41	-2.0	-123.73	350.23	5.52	-118.21
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1	REAL300002330495	1	45	-2.0	-126.52	384.37	6.63	-119.89
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O	REAL300002330731	0	41	-2.0	-115.15	356.64	5.58	-109.57
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O	REAL300002330734	1	47	-2.0	-127.76	394.32	6.78	-120.98
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC(C(=O)[O-])=C(C)C=C1C	REAL300002330737	1	47	-2.0	-125.71	393.63	7.22	-118.49
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1=C(C)N=C(C(C)(C)C)[N-]C1=O	REAL300002330818	1	47	-2.0	-106.91	374.41	7.00	-99.91
COC1=CC=C(C(=O)NC2=CC(C(=O)[O-])=C(C)C=C2C)C([O-])=C1	REAL300002331324	1	38	-2.0	-138.48	317.94	7.21	-131.27
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1=CC=C([O-])C(F)=C1	REAL300002331878	1	34	-2.0	-110.68	295.51	6.43	-104.25
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300002331889	1	37	-2.0	-129.37	326.36	8.88	-120.49
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300002331996	0	40	-2.0	-107.37	352.08	4.59	-102.78
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300002332032	1	39	-2.0	-107.04	329.37	5.99	-101.05
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-]	REAL300002332090	0	50	-2.0	-138.33	412.40	9.62	-128.71
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-]	REAL300002332091	0	50	-2.0	-137.05	411.93	9.63	-127.42
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-]	REAL300002332186	0	44	-2.0	-134.23	373.63	8.71	-125.52
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300002332191	0	41	-2.0	-136.10	358.55	7.77	-128.33
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300002332229	0	39	-2.0	-139.63	330.17	8.50	-131.13
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC(C(=O)[O-])=C(C)C=C3C)=N2)=C1	REAL300002332395	0	44	-2.0	-142.63	376.89	8.36	-134.27
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC(C(=O)[O-])=C(C)C=C2C)=N1	REAL300002332396	0	47	-2.0	-140.58	386.07	9.51	-131.07
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O	REAL300002332473	1	47	-2.0	-125.97	394.51	6.77	-119.20
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300002332533	0	34	-2.0	-105.66	315.80	7.12	-98.54
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)CCCC1=N[N-]N=N1	REAL300002332650	0	37	-2.0	-120.75	318.71	5.41	-115.34
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)CCCC1=NN=N[N-]1	REAL300002332650	1	37	-2.0	-120.76	318.76	5.42	-115.34
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300002332686	0	34	-2.0	-107.09	305.31	6.92	-100.17
CCOC1=CC(C(=O)NC2=CC(C(=O)[O-])=C(C)C=C2C)=CC(Cl)=C1[O-]	REAL300002332689	1	41	-2.0	-109.16	360.65	8.06	-101.10
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC(C(=O)[O-])=C(C)C=C3C)=N2)C=C1	REAL300002332699	0	45	-2.0	-136.83	381.22	7.02	-129.81
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC(C(=O)[O-])=C(C)C=C2C)=CO1	REAL300002332723	1	38	-2.0	-115.37	341.80	2.20	-113.17
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1=C(C(=O)C2=CC=CC=C2)N=C[N-]1	REAL300002332815	0	42	-2.0	-119.94	355.23	10.93	-109.01
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1=C(C(=O)C2=CC=CC=C2)[N-]C=N1	REAL300002332815	1	42	-2.0	-120.00	355.18	10.94	-109.06
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300002332889	0	37	-2.0	-96.35	325.64	5.10	-91.25
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300002332889	1	37	-2.0	-96.44	325.57	5.09	-91.35
COCC1=NC=C(C(=O)NC2=CC(C(=O)[O-])=C(C)C=C2C)C(=O)[N-]1	REAL300002333221	1	39	-2.0	-106.14	330.83	3.60	-102.54
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300002333269	1	42	-2.0	-106.95	345.13	6.54	-100.41
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300002333590	0	34	-2.0	-123.90	320.44	8.92	-114.98
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)CC2=CC=C(OCC(=O)[O-])C=C2)O1	REAL300002335301	1	42	-2.0	-92.15	381.06	3.42	-88.73
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)C1=CC=CC=C1[N-]S(C)(=O)=O	REAL300002335491	0	45	-2.0	-107.51	392.23	6.17	-101.34
CC1=C(C(=O)N(C)CC2=CC=C(OCC(=O)[O-])C=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300002336023	1	51	-2.0	-100.91	422.40	7.59	-93.32
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)C1=CC=C([O-])C(F)=C1	REAL300002337020	1	38	-2.0	-98.56	334.43	7.21	-91.35
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300002337033	1	41	-2.0	-102.22	366.71	8.90	-93.32
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)CCC1=N[N-]N=N1	REAL300002337089	0	38	-2.0	-94.20	334.31	5.65	-88.55
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)CCC1=NN=N[N-]1	REAL300002337089	1	38	-2.0	-94.17	334.37	5.67	-88.50
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300002337169	0	44	-2.0	-105.96	390.31	5.30	-100.66
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300002337200	1	43	-2.0	-109.13	377.10	6.67	-102.46
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)C1=CN=CC([O-])=C1	REAL300002337239	1	37	-2.0	-103.65	322.87	5.24	-98.41
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300002337351	0	45	-2.0	-116.93	395.36	9.16	-107.77
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300002337397	1	43	-2.0	-113.73	367.43	10.30	-103.43
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300002337685	0	38	-2.0	-94.75	350.44	7.76	-86.99
COC1=C(C(=O)N(C)CC2=CC=C(OCC(=O)[O-])C=C2)NC(=O)[N-]C1=O	REAL300002337704	1	41	-2.0	-96.32	364.57	1.74	-94.58
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)CCCC1=N[N-]N=N1	REAL300002337800	0	41	-2.0	-102.50	355.81	6.43	-96.07
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)CCCC1=NN=N[N-]1	REAL300002337800	1	41	-2.0	-102.53	355.87	6.45	-96.08
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300002337835	0	38	-2.0	-94.78	344.23	7.68	-87.10
CCOC1=CC(C(=O)N(C)CC2=CC=C(OCC(=O)[O-])C=C2)=CC(Cl)=C1[O-]	REAL300002337839	1	45	-2.0	-98.77	395.28	8.74	-90.03
C[N-]S(=O)(=O)C1=CC(C(=O)N(C)CC2=CC=C(OCC(=O)[O-])C=C2)=CO1	REAL300002337872	1	42	-2.0	-94.09	377.54	3.00	-91.09
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300002338032	0	41	-2.0	-88.86	363.68	6.83	-82.03
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300002338032	1	41	-2.0	-88.87	363.76	6.85	-82.02
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)C1=C[N-]N=CC1=O	REAL300002338309	0	36	-2.0	-91.43	323.74	5.73	-85.70
COCC1=NC=C(C(=O)N(C)CC2=CC=C(OCC(=O)[O-])C=C2)C(=O)[N-]1	REAL300002338342	1	43	-2.0	-107.53	378.93	4.32	-103.21
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300002338390	1	46	-2.0	-109.31	392.85	7.21	-102.10
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300002338692	0	38	-2.0	-98.56	360.74	8.94	-89.62
CC1=C(CCC(=O)NC2=CC=C(C(=O)[O-])C=C2)C(=O)NC(N2CCOCC2)=N1	REAL300002339525	0	48	-2.0	-101.14	396.03	6.98	-94.16
CC1=C(CCC(=O)NC2=CC=C(C(=O)[O-])C=C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300002339525	1	48	-2.0	-101.14	396.03	6.98	-94.16
CC1=CC=C(NS(C)(=O)=O)C(C(=O)NC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300002339875	0	38	-2.0	-103.48	338.19	4.79	-98.69
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300002339875	1	38	-2.0	-103.48	338.19	4.79	-98.69
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300002340183	1	38	-2.0	-104.74	338.27	5.02	-99.72
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300002340230	1	40	-2.0	-111.83	360.06	9.94	-101.89
O=C([O-])C1=CC=C(NC(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3)C=C2)C=C1	REAL300002340413	1	42	-2.0	-97.82	377.07	7.02	-90.80
O=C([O-])C1=CC=C(NC(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)C=C1	REAL300002340414	1	42	-2.0	-104.51	377.53	7.00	-97.51
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2)O1	REAL300002340679	1	41	-2.0	-88.81	362.85	3.36	-85.45
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2)O1	REAL300002340680	1	32	-2.0	-88.77	309.23	0.83	-87.94
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300002340914	0	42	-2.0	-107.17	372.95	3.04	-104.13
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300002340959	0	35	-2.0	-103.28	316.80	4.12	-99.16
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=CC=C(C(=O)[O-])C=C2)=CS1	REAL300002341326	1	39	-2.0	-106.77	351.00	5.23	-101.54
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300002341550	0	35	-2.0	-96.75	323.21	4.19	-92.56
CC1=C(CC(=O)NC2=CC=C(C(=O)[O-])C=C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002341557	1	41	-2.0	-111.17	360.92	5.37	-105.80
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300002341562	1	41	-2.0	-105.14	359.77	5.80	-99.34
CC1=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300002341628	1	41	-2.0	-91.59	340.43	5.71	-85.88
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3)C=C2)C=C1	REAL300002341726	1	42	-2.0	-97.33	377.26	7.01	-90.32
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300002342311	0	41	-2.0	-109.01	362.68	6.38	-102.63
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C=C1	REAL300002342495	1	31	-2.0	-104.53	292.93	7.49	-97.04
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300002342590	0	34	-2.0	-95.31	317.85	3.15	-92.16
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=NC=C3)C=C2)C=C1	REAL300002342656	0	41	-2.0	-93.97	372.30	5.24	-88.73
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3=CC=C(C(=O)[O-])C=C3)=N2)=C1	REAL300002342671	0	44	-2.0	-113.86	377.43	8.17	-105.69
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(C(=O)[O-])C=C3)=N2)C=C1	REAL300002342672	0	44	-2.0	-112.96	377.37	8.17	-104.79
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300002342742	0	38	-2.0	-110.40	344.84	7.27	-103.13
O=C([O-])C1=CC=C(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C=C1	REAL300002342746	0	35	-2.0	-111.81	323.59	6.32	-105.49
O=C([O-])C1=CC=C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C=C1	REAL300002342770	0	33	-2.0	-112.91	296.74	7.13	-105.78
O=C([O-])C1=CC=C(NC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)C=C1	REAL300002342789	0	35	-2.0	-90.26	339.07	4.43	-85.83
O=C([O-])C1=CC=C(NC(=O)C2=CN=C(I)C([O-])=C2)C=C1	REAL300002342833	0	27	-2.0	-92.24	278.33	4.16	-88.08
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC=C(C(=O)[O-])C=C3)=N2)=C1	REAL300002342890	0	38	-2.0	-117.58	341.93	6.90	-110.68
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300002342891	0	41	-2.0	-115.51	358.29	8.01	-107.50
CC1=C(CC(=O)NC2=CC=C(C(=O)[O-])C=C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002342940	1	41	-2.0	-107.59	361.13	5.37	-102.22
O=C([O-])C1=CC=C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C=C1	REAL300002342976	0	28	-2.0	-90.77	278.61	5.60	-85.17
CCOC1=CC(C(=O)NC2=CC=C(C(=O)[O-])C=C2)=CC(Cl)=C1[O-]	REAL300002343074	1	35	-2.0	-94.29	323.46	6.58	-87.71
O=C([O-])C1=CC=C(NC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])C=C1	REAL300002343078	0	38	-2.0	-116.27	347.07	7.68	-108.59
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(C(=O)[O-])C=C3)=N2)C=C1	REAL300002343085	0	39	-2.0	-112.98	346.65	5.55	-107.43
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=C(C(=O)[O-])C=C2)=CO1	REAL300002343104	1	32	-2.0	-99.49	308.38	0.80	-98.69
O=C([O-])C1=CC=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)C=C1	REAL300002343172	0	36	-2.0	-98.45	321.08	9.49	-88.96
O=C([O-])C1=CC=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)C=C1	REAL300002343172	1	36	-2.0	-98.39	321.13	9.48	-88.91
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300002343227	0	31	-2.0	-85.89	292.21	3.70	-82.19
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300002343227	1	31	-2.0	-85.89	292.14	3.70	-82.19
COCC1=NC=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2)C(=O)[N-]1	REAL300002343480	1	33	-2.0	-90.42	297.90	2.28	-88.14
O=C([O-])C1=CC=C(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C=C1	REAL300002343513	1	36	-2.0	-90.76	311.80	5.17	-85.59
O=C([O-])C1=CC=C(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C=C1	REAL300002343757	0	28	-2.0	-100.18	286.69	7.53	-92.65
CC1=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300002343998	0	36	-2.0	-95.15	320.51	4.73	-90.42
CCC(C)C(NC(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O)C(=O)[O-]	REAL300002346157	1	53	-2.0	-115.16	415.46	6.57	-108.59
CCC(C)C(NC(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1)C(=O)[O-]	REAL300002346686	1	45	-2.0	-113.48	377.44	9.39	-104.09
CCC(C)C(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300002346832	1	47	-2.0	-106.96	396.79	6.63	-100.33
CCC(C)C(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300002346833	1	47	-2.0	-113.12	397.88	6.67	-106.45
CCC(C)C(NC(=O)C1=CC=C([N-]S(=O)(=O)C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300002346844	0	43	-2.0	-92.02	375.60	4.59	-87.43
CCC(C)C(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300002347027	0	44	-2.0	-109.60	386.46	5.48	-104.12
CCC(C)C(NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300002347045	1	46	-2.0	-97.15	383.43	2.88	-94.27
CCC(C)C(NC(=O)C1=CC=C(S(=O)(=O)[N-]C)O1)C(=O)[O-]	REAL300002347046	1	37	-2.0	-97.60	331.46	0.44	-97.16
CCC(C)C(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C(=O)[O-]	REAL300002347271	0	44	-2.0	-111.45	386.28	5.41	-106.04
CCC(C)C(NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1)C(=O)[O-]	REAL300002347523	1	44	-2.0	-111.57	367.80	4.61	-106.96
CCC(C)C(NC(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O)C(=O)[O-]	REAL300002347699	1	46	-2.0	-128.63	379.01	4.87	-123.76
CCC(C)C(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300002347829	1	47	-2.0	-101.43	399.73	6.62	-94.81
CCC(C)C(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300002348363	1	36	-2.0	-119.63	315.17	7.20	-112.43
CCC(C)C(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300002348431	0	39	-2.0	-104.49	335.01	2.61	-101.88
CCC(C)C(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300002348477	1	46	-2.0	-97.56	394.77	4.85	-92.71
CCC(C)C(NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-])C(=O)[O-]	REAL300002348491	0	49	-2.0	-133.62	397.79	7.84	-125.78
CCC(C)C(NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])C(=O)[O-]	REAL300002348492	0	49	-2.0	-132.75	399.59	7.81	-124.94
CCC(C)C(NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-])C(=O)[O-]	REAL300002348538	0	43	-2.0	-128.63	365.26	6.95	-121.68
CCC(C)C(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300002348542	0	40	-2.0	-130.08	345.81	5.96	-124.12
CCC(C)C(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(=O)[O-]	REAL300002348558	1	38	-2.0	-135.36	318.97	6.83	-128.53
CCC(C)C(NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300002348574	0	40	-2.0	-96.92	359.42	4.09	-92.83
CCC(C)C(NC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300002348606	0	32	-2.0	-100.58	296.79	3.55	-97.03
CCC(C)C(NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-])C(=O)[O-]	REAL300002348639	0	43	-2.0	-136.64	362.28	6.56	-130.08
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(C(=O)[O-])C(C)CC)=N1	REAL300002348640	0	46	-2.0	-136.01	380.66	7.64	-128.37
CCC(C)C(NC(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O)C(=O)[O-]	REAL300002348668	1	46	-2.0	-127.32	378.29	4.82	-122.50
CCC(C)C(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300002348695	0	33	-2.0	-97.03	298.05	5.23	-91.80
CCOC1=CC(C(=O)NC(C(=O)[O-])C(C)CC)=CC(Cl)=C1[O-]	REAL300002348755	1	40	-2.0	-102.00	342.89	6.20	-95.80
CCC(C)C(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300002348758	0	43	-2.0	-138.35	369.30	7.33	-131.02
CCC(C)C(NC(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-])C(=O)[O-]	REAL300002348762	0	44	-2.0	-132.35	368.88	5.19	-127.16
CCC(C)C(NC(=O)C1=COC(S(=O)(=O)[N-]C)=C1)C(=O)[O-]	REAL300002348772	1	37	-2.0	-103.93	326.86	0.18	-103.75
CCC(C)C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300002348867	0	36	-2.0	-90.93	308.97	3.08	-87.85
CCC(C)C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300002348867	1	36	-2.0	-90.91	309.04	3.09	-87.82
CCC(C)C(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(=O)[O-]	REAL300002349070	1	41	-2.0	-112.24	333.71	4.73	-107.51
CCC(C)C(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300002349233	0	33	-2.0	-115.60	309.22	7.25	-108.35
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])O1	REAL300002350702	1	39	-2.0	-101.51	341.87	4.10	-97.41
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=CS1	REAL300002351158	1	46	-2.0	-132.15	387.60	8.75	-123.40
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)C1=CC=C([O-])C(F)=C1	REAL300002352226	1	35	-2.0	-111.15	303.58	8.49	-102.66
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300002352237	1	38	-2.0	-132.09	334.19	9.40	-122.69
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)CCC1=N[N-]N=N1	REAL300002352265	0	35	-2.0	-107.54	296.73	6.71	-100.83
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)CCC1=NN=N[N-]1	REAL300002352265	1	35	-2.0	-107.53	296.79	6.73	-100.80
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=N1	REAL300002352335	0	41	-2.0	-114.60	359.03	6.56	-108.04
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300002352359	1	40	-2.0	-129.49	338.77	7.69	-121.80
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=N1	REAL300002352476	0	45	-2.0	-143.56	380.82	10.53	-133.03
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300002352481	0	42	-2.0	-147.71	356.22	9.87	-137.84
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300002352510	1	40	-2.0	-154.10	329.53	10.40	-143.70
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CC4=CC=CC=C4CC3C(=O)[O-])=N2)=C1	REAL300002352646	0	45	-2.0	-156.11	374.56	10.45	-145.66
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=N1	REAL300002352647	0	48	-2.0	-151.15	394.40	11.18	-139.97
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300002352760	0	35	-2.0	-106.40	319.96	9.01	-97.39
COC1=C(C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])NC(=O)[N-]C1=O	REAL300002352771	1	38	-2.0	-105.78	326.24	2.48	-103.30
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)CCCC1=N[N-]N=N1	REAL300002352847	0	38	-2.0	-121.54	318.18	7.47	-114.07
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)CCCC1=NN=N[N-]1	REAL300002352847	1	38	-2.0	-121.60	318.24	7.48	-114.12
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300002352878	0	35	-2.0	-107.99	313.75	8.94	-99.05
CCOC1=CC(C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300002352882	1	42	-2.0	-112.01	358.73	9.75	-102.26
COC1=CC=C(N2C=C([O-])C(C(=O)N3CC4=CC=CC=C4CC3C(=O)[O-])=N2)C=C1	REAL300002352888	0	46	-2.0	-149.99	379.28	9.10	-140.89
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=CO1	REAL300002352904	1	39	-2.0	-115.86	341.48	4.16	-111.70
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300002353039	0	38	-2.0	-98.85	324.99	7.54	-91.31
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300002353039	1	38	-2.0	-98.86	325.06	7.54	-91.32
COCC1=NC=C(C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C(=O)[N-]1	REAL300002353299	1	40	-2.0	-127.91	340.59	5.34	-122.57
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300002353341	1	43	-2.0	-129.73	354.51	8.24	-121.49
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300002353585	0	35	-2.0	-124.70	329.79	9.45	-115.25
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC=C3OC(C(=O)[O-])=CC3=C2)=C1	REAL300002354684	1	41	-2.0	-97.84	367.77	5.56	-92.28
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C2OC(C(=O)[O-])=CC2=C1	REAL300002354953	1	41	-2.0	-98.86	367.86	5.78	-93.08
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C3OC(C(=O)[O-])=CC3=C2)O1	REAL300002355375	1	35	-2.0	-87.31	338.82	1.58	-85.73
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C2OC(C(=O)[O-])=CC2=C1	REAL300002355618	0	38	-2.0	-97.63	346.39	4.88	-92.75
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=CC=C3OC(C(=O)[O-])=CC3=C2)=CS1	REAL300002355952	1	42	-2.0	-110.27	380.30	6.01	-104.26
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1=CC=C2OC(C(=O)[O-])=CC2=C1	REAL300002356168	0	38	-2.0	-91.73	352.80	4.95	-86.78
CC1=C(C(=O)NC2=CC=C3OC(C(=O)[O-])=CC3=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300002356255	1	44	-2.0	-90.44	370.23	6.40	-84.04
COC1=CC=C(C(=O)NC2=CC=C3OC(C(=O)[O-])=CC3=C2)C([O-])=C1	REAL300002356747	1	35	-2.0	-105.52	313.24	6.57	-98.95
O=C([O-])C1=CC2=CC(NC(=O)C3=CC=C([O-])C(F)=C3)=CC=C2O1	REAL300002357300	1	31	-2.0	-95.29	291.94	5.82	-89.47
O=C([O-])C1=CC2=CC(NC(=O)C3=CC=C(C(F)(F)F)C=C3[O-])=CC=C2O1	REAL300002357313	1	34	-2.0	-108.31	322.25	8.26	-100.05
O=C([O-])C1=CC2=CC(NC(=O)CCC3=N[N-]N=N3)=CC=C2O1	REAL300002357347	0	31	-2.0	-94.41	289.67	3.88	-90.53
O=C([O-])C1=CC2=CC(NC(=O)CCC3=NN=N[N-]3)=CC=C2O1	REAL300002357347	1	31	-2.0	-94.42	289.72	3.90	-90.52
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=C3OC(C(=O)[O-])=CC3=C2)C=N1	REAL300002357436	0	37	-2.0	-96.28	347.20	3.93	-92.35
O=C([O-])C1=CC2=CC(NC(=O)C3=CN=C(C4CC4)[N-]C3=O)=CC=C2O1	REAL300002357471	1	36	-2.0	-87.44	325.18	5.32	-82.12
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C3OC(C(=O)[O-])=CC3=C2)=N1	REAL300002357625	0	41	-2.0	-112.78	374.20	8.06	-104.72
O=C([O-])C1=CC2=CC(NC(=O)C3=NN(C4=CC=CC(F)=C4)C=C3[O-])=CC=C2O1	REAL300002357630	0	38	-2.0	-104.94	353.17	7.10	-97.84
O=C([O-])C1=CC2=CC(NC(=O)C3=C([O-])C4=CC=CC=C4C=N3)=CC=C2O1	REAL300002357672	0	36	-2.0	-104.77	326.33	7.90	-96.87
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC=C4OC(C(=O)[O-])=CC4=C3)=N2)=C1	REAL300002357839	0	41	-2.0	-120.80	371.52	7.67	-113.13
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C3OC(C(=O)[O-])=CC3=C2)=N1	REAL300002357840	0	44	-2.0	-118.09	380.85	8.83	-109.26
O=C([O-])C1=CC2=CC(NC(=O)C3=CC(F)=C([O-])C(Cl)=C3)=CC=C2O1	REAL300002357979	0	31	-2.0	-93.34	308.23	6.36	-86.98
O=C([O-])C1=CC2=CC(NC(=O)CCCC3=N[N-]N=N3)=CC=C2O1	REAL300002358096	0	34	-2.0	-105.82	311.16	4.66	-101.16
O=C([O-])C1=CC2=CC(NC(=O)CCCC3=NN=N[N-]3)=CC=C2O1	REAL300002358096	1	34	-2.0	-105.82	311.22	4.68	-101.14
O=C([O-])C1=CC2=CC(NC(=O)C3=CC=C([O-])C(Cl)=C3)=CC=C2O1	REAL300002358135	0	31	-2.0	-92.31	301.73	6.32	-85.99
CCOC1=CC(C(=O)NC2=CC=C3OC(C(=O)[O-])=CC3=C2)=CC(Cl)=C1[O-]	REAL300002358139	1	38	-2.0	-91.21	353.05	7.35	-83.86
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C4OC(C(=O)[O-])=CC4=C3)=N2)C=C1	REAL300002358148	0	42	-2.0	-106.10	376.25	6.33	-99.77
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=C3OC(C(=O)[O-])=CC3=C2)=CO1	REAL300002358172	1	35	-2.0	-95.55	337.97	1.57	-93.98
O=C([O-])C1=CC2=CC(NC(=O)C3=C(C(=O)C4=CC=CC=C4)N=C[N-]3)=CC=C2O1	REAL300002358262	0	39	-2.0	-92.05	350.42	10.25	-81.80
O=C([O-])C1=CC2=CC(NC(=O)C3=C(C(=O)C4=CC=CC=C4)[N-]C=N3)=CC=C2O1	REAL300002358262	1	39	-2.0	-92.08	350.37	10.28	-81.80
O=C([O-])C1=CC2=CC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=CC=C2O1	REAL300002358334	0	34	-2.0	-83.77	321.80	4.47	-79.30
O=C([O-])C1=CC2=CC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)=CC=C2O1	REAL300002358334	1	34	-2.0	-83.79	321.73	4.47	-79.32
COCC1=NC=C(C(=O)NC2=CC=C3OC(C(=O)[O-])=CC3=C2)C(=O)[N-]1	REAL300002358670	1	36	-2.0	-86.99	326.90	3.01	-83.98
O=C([O-])C1=CC2=CC(NC(=O)C3=CN=C(C4CCC4)[N-]C3=O)=CC=C2O1	REAL300002358719	1	39	-2.0	-87.35	340.92	5.87	-81.48
O=C([O-])C1=CC2=CC(NC(=O)C3=CC(Cl)=CC(Cl)=C3[O-])=CC=C2O1	REAL300002359045	0	31	-2.0	-93.47	316.60	8.30	-85.17
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300002360846	1	38	-2.0	-96.21	350.91	5.21	-91.00
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300002361135	1	38	-2.0	-120.59	350.99	5.43	-115.16
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)O1	REAL300002361579	1	32	-2.0	-95.46	321.65	1.23	-94.23
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300002361834	0	35	-2.0	-118.78	329.52	4.53	-114.25
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)=CS1	REAL300002362172	1	39	-2.0	-122.54	363.41	5.65	-116.89
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300002362396	0	35	-2.0	-110.44	335.63	4.61	-105.83
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300002362401	1	41	-2.0	-121.16	372.49	6.22	-114.94
COC1=CC=C(C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)C([O-])=C1	REAL300002362980	1	32	-2.0	-103.84	296.36	6.23	-97.61
O=C([O-])C1=CC(NC(=O)C2=CC=C([O-])C(F)=C2)=CC=C1Cl	REAL300002363526	1	28	-2.0	-103.21	275.32	5.46	-97.75
O=C([O-])C1=CC(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])=CC=C1Cl	REAL300002363538	1	31	-2.0	-123.33	305.36	7.91	-115.42
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300002363646	0	34	-2.0	-104.42	330.27	3.57	-100.85
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3=CC=C(Cl)C(C(=O)[O-])=C3)=N2)=C1	REAL300002363739	0	44	-2.0	-131.73	389.86	8.61	-123.12
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(Cl)C(C(=O)[O-])=C3)=N2)C=C1	REAL300002363740	0	44	-2.0	-131.39	390.09	8.59	-122.80
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300002363834	0	38	-2.0	-103.78	357.11	7.73	-96.05
O=C([O-])C1=CC(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])=CC=C1Cl	REAL300002363839	0	35	-2.0	-129.43	336.29	6.74	-122.69
O=C([O-])C1=CC(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)=CC=C1Cl	REAL300002363880	0	33	-2.0	-132.25	309.47	7.54	-124.71
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC=C(Cl)C(C(=O)[O-])=C3)=N2)=C1	REAL300002364043	0	38	-2.0	-135.97	354.35	7.34	-128.63
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300002364044	0	41	-2.0	-108.02	364.02	8.48	-99.54
O=C([O-])C1=CC(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)=CC=C1Cl	REAL300002364183	0	28	-2.0	-100.95	291.08	6.02	-94.93
O=C([O-])C1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1Cl	REAL300002364299	0	31	-2.0	-115.76	293.98	4.32	-111.44
O=C([O-])C1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1Cl	REAL300002364299	1	31	-2.0	-115.83	294.04	4.34	-111.49
O=C([O-])C1=CC(NC(=O)C2=CC=C([O-])C(Cl)=C2)=CC=C1Cl	REAL300002364336	0	28	-2.0	-86.69	285.12	5.95	-80.74
CCOC1=CC(C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)=CC(Cl)=C1[O-]	REAL300002364340	1	35	-2.0	-104.45	335.92	7.00	-97.45
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(Cl)C(C(=O)[O-])=C3)=N2)C=C1	REAL300002364350	0	39	-2.0	-131.17	359.38	5.97	-125.20
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)=CO1	REAL300002364374	1	32	-2.0	-112.44	321.10	1.21	-111.23
O=C([O-])C1=CC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)=CC=C1Cl	REAL300002364466	0	36	-2.0	-94.69	333.30	9.91	-84.78
O=C([O-])C1=CC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)=CC=C1Cl	REAL300002364466	1	36	-2.0	-94.59	333.25	9.92	-84.67
O=C([O-])C1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=C1Cl	REAL300002364537	0	31	-2.0	-93.59	304.93	4.11	-89.48
O=C([O-])C1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC=C1Cl	REAL300002364537	1	31	-2.0	-93.62	304.87	4.10	-89.52
COCC1=NC=C(C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)C(=O)[N-]1	REAL300002364870	1	33	-2.0	-92.81	310.14	2.63	-90.18
O=C([O-])C1=CC(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=CC=C1Cl	REAL300002365237	0	28	-2.0	-118.21	299.74	7.95	-110.26
CC1=C(C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)C(=O)NC(C2=CC=CO2)=N1	REAL300002365544	0	36	-2.0	-103.51	333.58	5.11	-98.40
CC1=C(C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300002365544	1	36	-2.0	-103.51	333.58	5.11	-98.40
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC(CC(=O)[O-])C2=CC=CC=C2)C=C1	REAL300002366868	1	46	-2.0	-106.96	405.34	11.62	-95.34
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC(=O)[O-])C2=CC=CC=C2)O1	REAL300002367221	1	47	-2.0	-100.77	409.66	4.74	-96.03
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC(=O)[O-])C2=CC=CC=C2)O1	REAL300002367222	1	38	-2.0	-99.24	354.21	2.34	-96.90
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(CC(=O)[O-])C2=CC=CC=C2)=CS1	REAL300002367706	1	45	-2.0	-113.60	388.88	6.08	-107.52
CC1=C(CC(=O)NC(CC(=O)[O-])C2=CC=CC=C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002367900	1	47	-2.0	-124.09	406.79	6.95	-117.14
O=C([O-])CC(NC(=O)C1=CC=C([O-])C(F)=C1)C1=CC=CC=C1	REAL300002368796	1	34	-2.0	-99.99	300.57	5.91	-94.08
O=C([O-])CC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1=CC=CC=C1	REAL300002368805	1	37	-2.0	-115.33	330.91	8.43	-106.90
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(CC(=O)[O-])C2=CC=CC=C2)C=N1	REAL300002368890	0	40	-2.0	-105.92	362.73	4.83	-101.09
O=C([O-])CC(NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C1=CC=CC=C1	REAL300002368915	1	39	-2.0	-117.29	331.09	6.51	-110.78
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC(CC(=O)[O-])C3=CC=CC=C3)=N2)=C1	REAL300002368965	0	50	-2.0	-126.96	415.40	9.03	-117.93
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(CC(=O)[O-])C3=CC=CC=C3)=N2)C=C1	REAL300002368966	0	50	-2.0	-128.72	422.34	9.73	-118.99
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(CC(=O)[O-])C2=CC=CC=C2)=N1	REAL300002369031	0	44	-2.0	-122.29	382.06	8.16	-114.13
O=C([O-])CC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1=CC=CC=C1	REAL300002369036	0	41	-2.0	-123.90	361.55	7.18	-116.72
O=C([O-])CC(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=CC=CC=C1	REAL300002369063	1	39	-2.0	-130.29	341.63	8.89	-121.40
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(CC(=O)[O-])C3=CC=CC=C3)=N2)=C1	REAL300002369199	0	44	-2.0	-130.56	379.89	7.76	-122.80
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CC(=O)[O-])C2=CC=CC=C2)=N1	REAL300002369200	0	47	-2.0	-128.01	396.39	8.87	-119.14
CC1=C(CC(=O)NC(CC(=O)[O-])C2=CC=CC=C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002369257	1	47	-2.0	-122.88	406.06	6.90	-115.98
O=C([O-])CC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=CC=CC=C1	REAL300002369310	0	34	-2.0	-94.36	316.69	6.49	-87.87
COC1=C(C(=O)NC(CC(=O)[O-])C2=CC=CC=C2)NC(=O)[N-]C1=O	REAL300002369320	1	37	-2.0	-99.27	329.43	2.31	-96.96
O=C([O-])CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL300002369394	0	37	-2.0	-105.79	319.50	4.74	-101.05
O=C([O-])CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL300002369394	1	37	-2.0	-105.79	319.56	4.75	-101.04
O=C([O-])CC(NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=CC=CC=C1	REAL300002369423	0	34	-2.0	-96.88	310.37	6.39	-90.49
CCOC1=CC(C(=O)NC(CC(=O)[O-])C2=CC=CC=C2)=CC(Cl)=C1[O-]	REAL300002369426	1	41	-2.0	-103.03	368.34	8.26	-94.77
COC1=CC=C(N2C=C([O-])C(C(=O)NC(CC(=O)[O-])C3=CC=CC=C3)=N2)C=C1	REAL300002369432	0	45	-2.0	-128.36	391.63	7.10	-121.26
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CC(=O)[O-])C2=CC=CC=C2)=CO1	REAL300002369447	1	38	-2.0	-100.39	353.27	2.46	-97.93
O=C([O-])CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=C1	REAL300002369583	0	37	-2.0	-92.29	337.03	5.37	-86.92
O=C([O-])CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=C1	REAL300002369583	1	37	-2.0	-92.35	337.09	5.37	-86.98
COCC1=NC=C(C(=O)NC(CC(=O)[O-])C2=CC=CC=C2)C(=O)[N-]1	REAL300002369838	1	39	-2.0	-116.15	333.19	4.10	-112.05
O=C([O-])CC(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1=CC=CC=C1	REAL300002369880	1	42	-2.0	-102.83	348.22	5.91	-96.92
O=C([O-])CC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=CC=CC=C1	REAL300002370121	0	34	-2.0	-110.58	325.01	8.49	-102.09
C=CCC(NC(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O)C(=O)[O-]	REAL300002372846	1	48	-2.0	-105.07	396.30	5.91	-99.16
C=CCC(NC(=O)C1=CC(C)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300002373160	0	38	-2.0	-115.42	338.74	3.68	-111.74
C=CCC(NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1)C(=O)[O-]	REAL300002373407	1	42	-2.0	-107.20	384.48	5.93	-101.27
C=CCC(NC(=O)C1=CC=CC=C1[N-]S(=O)(=O)CC)C(=O)[O-]	REAL300002373450	0	38	-2.0	-116.04	338.54	3.97	-112.07
C=CCC(NC(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1)C(=O)[O-]	REAL300002373488	1	40	-2.0	-126.81	359.97	8.84	-117.97
C=CCC(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300002373538	1	42	-2.0	-99.56	384.30	5.96	-93.60
C=CCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C)C=C1)C(=O)[O-]	REAL300002373540	1	45	-2.0	-99.34	397.97	6.63	-92.71
C=CCC(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300002373655	1	42	-2.0	-105.80	377.07	5.93	-99.87
C=CCC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300002373656	1	42	-2.0	-111.39	377.80	5.95	-105.44
C=CCC(NC(=O)C1=CC=C([N-]S(=O)(=O)C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300002373667	0	38	-2.0	-90.84	359.05	4.14	-86.70
C=CCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2)C=C1)C(=O)[O-]	REAL300002373787	1	45	-2.0	-100.14	399.47	6.55	-93.59
C=CCC(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300002373869	0	39	-2.0	-107.61	369.83	4.90	-102.71
C=CCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300002373886	1	41	-2.0	-96.58	364.56	2.13	-94.45
C=CCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C)O1)C(=O)[O-]	REAL300002373887	1	32	-2.0	-95.33	309.79	-0.32	-95.65
C=CCC(NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2)=C1)C(=O)[O-]	REAL300002373996	1	45	-2.0	-114.18	399.45	6.54	-107.64
C=CCC(NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2)=C1)C(=O)[O-]	REAL300002374033	1	45	-2.0	-115.13	399.49	6.53	-108.60
C=CCC(NC(=O)C1=CC(NC(C)=O)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300002374104	0	42	-2.0	-120.64	373.42	1.89	-118.75
C=CCC(NC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300002374152	0	35	-2.0	-114.47	317.31	3.00	-111.47
C=CCC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C(=O)[O-]	REAL300002374161	0	39	-2.0	-109.60	369.18	4.93	-104.67
C=CCC(NC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300002374162	0	42	-2.0	-113.97	394.66	5.55	-108.42
C=CCC(NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1)C(=O)[O-]	REAL300002374464	1	39	-2.0	-110.44	351.54	4.09	-106.35
C=CCC(NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300002374637	0	35	-2.0	-107.06	323.76	3.06	-104.00
C=CCC(NC(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O)C(=O)[O-]	REAL300002374646	1	41	-2.0	-115.18	362.39	4.28	-110.90
C=CCC(NC(=O)C1=CC=CC=C1[N-]S(=O)(=O)CCC)C(=O)[O-]	REAL300002374651	0	41	-2.0	-116.84	360.28	4.69	-112.15
C=CCC(NC(=O)C1=C(C)N=C(C(C)(C)C)[N-]C1=O)C(=O)[O-]	REAL300002374701	1	41	-2.0	-111.16	341.47	4.50	-106.66
C=CCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300002374807	1	42	-2.0	-99.44	378.06	5.87	-93.57
C=CCC(NC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300002375223	0	41	-2.0	-119.39	363.20	5.26	-114.13
C=CCC(NC(=O)C1=CC(Br)=C([O-])C(Br)=C1)C(=O)[O-]	REAL300002375304	0	28	-2.0	-93.60	297.46	5.28	-88.32
C=CCC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300002375357	1	31	-2.0	-117.08	292.67	6.50	-110.58
C=CCC(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300002375433	0	34	-2.0	-102.94	318.12	2.10	-100.84
C=CCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300002375486	1	41	-2.0	-95.36	372.27	4.13	-91.23
C=CCC(NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-])C(=O)[O-]	REAL300002375501	0	44	-2.0	-131.53	377.96	7.06	-124.47
C=CCC(NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])C(=O)[O-]	REAL300002375502	0	44	-2.0	-130.07	377.65	7.13	-122.94
C=CCC(NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-])C(=O)[O-]	REAL300002375556	0	38	-2.0	-126.50	345.19	6.23	-120.27
C=CCC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300002375559	0	35	-2.0	-127.21	324.11	5.21	-122.00
C=CCC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300002375587	0	35	-2.0	-95.38	339.58	3.31	-92.07
C=CCC(NC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300002375618	0	27	-2.0	-98.72	278.58	3.11	-95.61
C=CCC(NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-])C(=O)[O-]	REAL300002375654	0	38	-2.0	-134.51	342.21	5.87	-128.64
C=CCC(NC(=O)C1=NN(C2=CC=CC=C2CC)C=C1[O-])C(=O)[O-]	REAL300002375655	0	41	-2.0	-133.23	358.72	6.94	-126.29
C=CCC(NC(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O)C(=O)[O-]	REAL300002375678	1	41	-2.0	-112.47	360.83	4.27	-108.20
C=CCC(NC(=O)C1=CC(Cl)=C([O-])C(OCC)=C1)C(=O)[O-]	REAL300002375747	1	35	-2.0	-101.00	324.01	5.47	-95.53
C=CCC(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300002375751	0	38	-2.0	-135.63	347.59	6.60	-129.03
C=CCC(NC(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-])C(=O)[O-]	REAL300002375757	0	39	-2.0	-129.65	347.18	4.45	-125.20
C=CCC(NC(=O)C1=COC(S(=O)(=O)[N-]C)=C1)C(=O)[O-]	REAL300002375772	1	32	-2.0	-101.89	308.93	-0.33	-102.22
C=CCC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300002376212	0	28	-2.0	-112.78	287.52	6.50	-106.28
C=CCC(NC(=O)C1=C(C)N=C(C2=CC=CO2)[N-]C1=O)C(=O)[O-]	REAL300002376382	0	36	-2.0	-113.96	321.71	3.57	-110.39
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300002378759	0	50	-2.0	-103.84	423.09	3.03	-100.81
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300002379008	0	50	-2.0	-104.59	423.17	3.22	-101.37
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])O1	REAL300002379379	1	44	-2.0	-101.70	394.14	-0.94	-102.64
CC(C)C[C@H](NC(=O)CNC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300002379581	0	47	-2.0	-103.36	401.66	2.37	-100.99
CC(C)C[C@H](NC(=O)CNC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1)C(=O)[O-]	REAL300002379881	1	51	-2.0	-102.86	435.89	3.43	-99.43
CC1=C(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300002380162	1	53	-2.0	-109.57	425.90	3.85	-105.72
CC(C)C[C@H](NC(=O)CNC(=O)C1=CC=C([O-])C(F)=C1)C(=O)[O-]	REAL300002381174	1	40	-2.0	-99.28	347.52	3.26	-96.02
CC(C)C[C@H](NC(=O)CNC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300002381188	1	43	-2.0	-102.22	377.81	5.86	-96.36
CC(C)C[C@H](NC(=O)CNC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL300002381235	0	40	-2.0	-94.61	344.97	1.33	-93.28
CC(C)C[C@H](NC(=O)CNC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL300002381235	1	40	-2.0	-94.60	345.03	1.34	-93.26
CC(C)C[C@H](NC(=O)CNC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300002381317	0	46	-2.0	-103.59	402.50	1.45	-102.14
CC(C)C[C@H](NC(=O)CNC(=O)C1=CN=C(C2CC2)[N-]C1=O)C(=O)[O-]	REAL300002381351	1	45	-2.0	-107.84	380.57	2.78	-105.06
CC(C)C[C@H](NC(=O)CNC(=O)C1=CN=CC([O-])=C1)C(=O)[O-]	REAL300002381391	1	39	-2.0	-97.84	336.36	1.39	-96.45
CC(C)C[C@H](NC(=O)CNC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300002381506	0	47	-2.0	-113.58	408.49	4.60	-108.98
CC(C)C[C@H](NC(=O)CNC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(=O)[O-]	REAL300002381551	1	45	-2.0	-115.74	380.83	5.53	-110.21
CC(C)C[C@H](NC(=O)CNC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300002381837	0	40	-2.0	-94.94	363.27	3.93	-91.01
COC1=C(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])NC(=O)[N-]C1=O	REAL300002381855	1	43	-2.0	-99.00	369.63	-1.04	-100.04
CC(C)C[C@H](NC(=O)CNC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL300002381955	0	43	-2.0	-97.77	366.21	2.21	-95.56
CC(C)C[C@H](NC(=O)CNC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL300002381955	1	43	-2.0	-97.80	366.27	2.23	-95.57
CC(C)C[C@H](NC(=O)CNC(=O)C1=CC=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300002381992	0	40	-2.0	-95.84	357.31	3.76	-92.08
CCOC1=CC(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300002381995	1	47	-2.0	-99.90	408.11	4.90	-95.00
C[N-]S(=O)(=O)C1=CC(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])=CO1	REAL300002382028	1	44	-2.0	-97.34	393.29	-0.99	-98.33
CC(C)C[C@H](NC(=O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300002382195	0	43	-2.0	-92.79	376.23	1.96	-90.83
CC(C)C[C@H](NC(=O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300002382195	1	43	-2.0	-92.81	376.29	1.96	-90.85
CC(C)C[C@H](NC(=O)CNC(=O)C1=C[N-]N=CC1=O)C(=O)[O-]	REAL300002382478	0	38	-2.0	-96.74	328.56	1.85	-94.89
COCC1=NC=C(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])C(=O)[N-]1	REAL300002382512	1	45	-2.0	-106.73	382.42	0.43	-106.30
CC(C)C[C@H](NC(=O)CNC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(=O)[O-]	REAL300002382560	1	48	-2.0	-107.96	396.24	3.36	-104.60
CC(C)C[C@H](NC(=O)CNC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300002382870	0	40	-2.0	-99.56	371.67	5.91	-93.65
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2(C(=O)[O-])CCSCC2)C=C1	REAL300002385400	1	44	-2.0	-115.17	375.01	10.57	-104.60
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(C(=O)[O-])CCSCC2)O1	REAL300002385752	1	45	-2.0	-95.82	379.14	3.88	-91.94
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(C(=O)[O-])CCSCC2)O1	REAL300002385753	1	36	-2.0	-94.34	323.69	1.48	-92.86
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2(C(=O)[O-])CCSCC2)=CS1	REAL300002386235	1	43	-2.0	-118.98	365.42	5.83	-113.15
CC1=C(CC(=O)NC2(C(=O)[O-])CCSCC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002386430	1	45	-2.0	-129.93	375.40	5.99	-123.94
O=C([O-])C1(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CCSCC1	REAL300002387314	1	35	-2.0	-121.52	307.39	7.77	-113.75
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2(C(=O)[O-])CCSCC2)C=N1	REAL300002387399	0	38	-2.0	-103.29	332.27	3.80	-99.49
O=C([O-])C1(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)CCSCC1	REAL300002387421	1	37	-2.0	-107.59	310.19	5.12	-102.47
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CCSCC3)=N2)=C1	REAL300002387471	0	48	-2.0	-135.14	391.84	8.84	-126.30
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CCSCC3)=N2)C=C1	REAL300002387472	0	48	-2.0	-133.83	391.82	8.84	-124.99
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2(C(=O)[O-])CCSCC2)=N1	REAL300002387535	0	42	-2.0	-130.45	359.30	7.94	-122.51
O=C([O-])C1(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CCSCC1	REAL300002387540	0	39	-2.0	-131.67	337.99	6.98	-124.69
O=C([O-])C1(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)CCSCC1	REAL300002387566	1	37	-2.0	-135.34	311.14	7.38	-127.96
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CCSCC3)=N2)=C1	REAL300002387698	0	42	-2.0	-138.93	356.38	7.58	-131.35
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2(C(=O)[O-])CCSCC2)=N1	REAL300002387699	0	45	-2.0	-137.29	372.86	8.65	-128.64
CC1=C(CC(=O)NC2(C(=O)[O-])CCSCC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002387752	1	45	-2.0	-128.52	375.57	5.99	-122.53
O=C([O-])C1(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)CCSCC1	REAL300002387799	0	32	-2.0	-97.38	293.04	6.25	-91.13
COC1=C(C(=O)NC2(C(=O)[O-])CCSCC2)NC(=O)[N-]C1=O	REAL300002387807	1	35	-2.0	-98.01	298.99	0.85	-97.16
O=C([O-])C1(NC(=O)C2=CC=C([O-])C(Cl)=C2)CCSCC1	REAL300002387905	0	32	-2.0	-100.14	286.85	6.18	-93.96
CCOC1=CC(C(=O)NC2(C(=O)[O-])CCSCC2)=CC(Cl)=C1[O-]	REAL300002387908	1	39	-2.0	-102.75	337.88	7.23	-95.52
COC1=CC=C(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CCSCC3)=N2)C=C1	REAL300002387916	0	43	-2.0	-133.44	361.10	6.23	-127.21
C[N-]S(=O)(=O)C1=CC(C(=O)NC2(C(=O)[O-])CCSCC2)=CO1	REAL300002387931	1	36	-2.0	-104.82	322.83	1.47	-103.35
O=C([O-])C1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCSCC1	REAL300002388058	0	35	-2.0	-90.13	306.60	4.34	-85.79
O=C([O-])C1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCSCC1	REAL300002388058	1	35	-2.0	-90.09	306.67	4.34	-85.75
COCC1=NC=C(C(=O)NC2(C(=O)[O-])CCSCC2)C(=O)[N-]1	REAL300002388305	1	37	-2.0	-106.80	312.01	2.77	-104.03
O=C([O-])C1(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)CCSCC1	REAL300002388343	1	40	-2.0	-107.83	325.94	5.68	-102.15
O=C([O-])C1(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCSCC1	REAL300002388574	0	32	-2.0	-116.71	301.46	7.81	-108.90
O=C([O-])C1CN(C(=O)C2=N[N-]C3=CC=CC=C3C2=O)C2=CC=CC=C21	REAL300002389551	0	36	-2.0	-110.72	312.06	9.01	-101.71
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CC(C(=O)[O-])C3=CC=CC=C32)C=C1	REAL300002390002	1	44	-2.0	-115.03	380.17	11.76	-103.27
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])C3=CC=CC=C32)O1	REAL300002390353	1	45	-2.0	-105.40	384.29	5.35	-100.05
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])C3=CC=CC=C32)O1	REAL300002390354	1	36	-2.0	-104.20	328.84	2.95	-101.25
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC(C(=O)[O-])C3=CC=CC=C32)=CS1	REAL300002390838	1	43	-2.0	-106.81	369.71	7.12	-99.69
CC1=C(CC(=O)N2CC(C(=O)[O-])C3=CC=CC=C32)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002391030	1	45	-2.0	-114.59	378.82	7.23	-107.36
COC1=CC=C(C(=O)N2CC(C(=O)[O-])C3=CC=CC=C32)C([O-])=C1	REAL300002391477	1	36	-2.0	-111.53	300.15	7.42	-104.11
O=C([O-])C1CN(C(=O)C2=CC=C([O-])C(F)=C2)C2=CC=CC=C21	REAL300002391908	1	32	-2.0	-98.77	279.07	6.66	-92.11
O=C([O-])C1CN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C2=CC=CC=C21	REAL300002391919	1	35	-2.0	-102.26	309.45	9.12	-93.14
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CC(C(=O)[O-])C3=CC=CC=C32)C=N1	REAL300002392003	0	38	-2.0	-104.59	334.36	4.74	-99.85
O=C([O-])C1CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C2=CC=CC=C21	REAL300002392026	1	37	-2.0	-106.68	324.34	6.36	-100.32
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CC(C(=O)[O-])C4=CC=CC=C43)=N2)=C1	REAL300002392075	0	48	-2.0	-123.34	397.18	10.45	-112.89
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CC(C(=O)[O-])C4=CC=CC=C43)=N2)C=C1	REAL300002392076	0	48	-2.0	-121.49	398.57	10.46	-111.03
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CC(C(=O)[O-])C3=CC=CC=C32)=N1	REAL300002392138	0	42	-2.0	-119.17	364.64	8.90	-110.27
O=C([O-])C1CN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C2=CC=CC=C21	REAL300002392143	0	39	-2.0	-116.03	343.22	8.61	-107.42
O=C([O-])C1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C2=CC=CC=C21	REAL300002392169	0	37	-2.0	-119.41	315.69	9.69	-109.72
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CC(C(=O)[O-])C4=CC=CC=C43)=N2)=C1	REAL300002392302	0	42	-2.0	-125.36	363.10	9.21	-116.15
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC(C(=O)[O-])C3=CC=CC=C32)=N1	REAL300002392303	0	45	-2.0	-120.76	378.17	9.73	-111.03
CC1=C(CC(=O)N2CC(C(=O)[O-])C3=CC=CC=C32)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002392360	1	45	-2.0	-113.26	379.00	7.23	-106.03
O=C([O-])C1CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C2=CC=CC=C21	REAL300002392410	0	32	-2.0	-93.69	295.11	7.22	-86.47
O=C([O-])C1CN(C(=O)CCCC2=N[N-]N=N2)C2=CC=CC=C21	REAL300002392491	0	35	-2.0	-98.65	301.10	5.80	-92.85
O=C([O-])C1CN(C(=O)CCCC2=NN=N[N-]2)C2=CC=CC=C21	REAL300002392491	1	35	-2.0	-98.65	301.16	5.81	-92.84
O=C([O-])C1CN(C(=O)C2=CC=C([O-])C(Cl)=C2)C2=CC=CC=C21	REAL300002392521	0	32	-2.0	-95.28	288.86	7.16	-88.12
CCOC1=CC(C(=O)N2CC(C(=O)[O-])C3=CC=CC=C32)=CC(Cl)=C1[O-]	REAL300002392524	1	39	-2.0	-99.79	339.91	8.19	-91.60
COC1=CC=C(N2C=C([O-])C(C(=O)N3CC(C(=O)[O-])C4=CC=CC=C43)=N2)C=C1	REAL300002392531	0	43	-2.0	-117.85	366.37	7.29	-110.56
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC(C(=O)[O-])C3=CC=CC=C32)=CO1	REAL300002392546	1	36	-2.0	-94.35	326.51	2.63	-91.72
O=C([O-])C1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C2=CC=CC=C21	REAL300002392674	0	35	-2.0	-93.01	312.61	6.23	-86.78
O=C([O-])C1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C2=CC=CC=C21	REAL300002392674	1	35	-2.0	-93.03	312.68	6.24	-86.79
COCC1=NC=C(C(=O)N2CC(C(=O)[O-])C3=CC=CC=C32)C(=O)[N-]1	REAL300002392926	1	37	-2.0	-105.61	326.44	3.96	-101.65
O=C([O-])C1CN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C2=CC=CC=C21	REAL300002392965	1	40	-2.0	-115.28	340.38	6.85	-108.43
O=C([O-])C1CN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C2=CC=CC=C21	REAL300002393202	0	32	-2.0	-100.54	303.48	9.16	-91.38
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)=C1	REAL300002395448	1	44	-2.0	-95.25	376.54	3.81	-91.44
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1	REAL300002395747	1	44	-2.0	-96.28	376.65	4.04	-92.24
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)O1	REAL300002396205	1	47	-2.0	-87.53	404.24	2.52	-85.01
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)O1	REAL300002396206	1	38	-2.0	-87.32	350.62	-0.02	-87.34
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)C=N1	REAL300002396467	0	41	-2.0	-94.94	355.17	3.15	-91.79
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)=CS1	REAL300002396807	1	45	-2.0	-95.11	389.35	4.25	-90.86
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)C=N1	REAL300002397037	0	41	-2.0	-89.96	364.60	3.36	-86.60
CC1=C(CC(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002397039	1	47	-2.0	-99.79	399.28	4.40	-95.39
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1	REAL300002397042	1	47	-2.0	-97.33	399.59	4.88	-92.45
CC1=C(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300002397125	1	47	-2.0	-94.48	382.33	4.78	-89.70
COC1=CC=C(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C([O-])=C1	REAL300002397630	1	38	-2.0	-101.32	322.03	4.83	-96.49
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2=CC=C([O-])C(F)=C2)C=N1	REAL300002398183	1	34	-2.0	-88.53	304.00	4.23	-84.30
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C=N1	REAL300002398195	1	37	-2.0	-95.82	334.32	6.65	-89.17
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C=N1	REAL300002398301	0	40	-2.0	-91.02	356.20	2.17	-88.85
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)C=N1	REAL300002398336	1	39	-2.0	-93.23	335.51	3.63	-89.60
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3=CN(C(C)(C)C(=O)[O-])N=C3)=N2)=C1	REAL300002398394	0	50	-2.0	-107.96	415.80	7.20	-100.76
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=CN(C(C)(C)C(=O)[O-])N=C3)=N2)C=C1	REAL300002398395	0	50	-2.0	-106.66	415.73	7.21	-99.45
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)=N1	REAL300002398491	0	44	-2.0	-104.00	384.70	6.37	-97.63
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C=N1	REAL300002398496	0	41	-2.0	-104.98	363.39	5.40	-99.58
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C=N1	REAL300002398538	0	39	-2.0	-106.53	335.09	6.12	-100.41
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CN(C(C)(C)C(=O)[O-])N=C3)=N2)=C1	REAL300002398703	0	44	-2.0	-111.13	383.32	6.07	-105.06
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)=N1	REAL300002398704	0	47	-2.0	-108.49	392.84	7.21	-101.28
CC1=C(CC(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002398781	1	47	-2.0	-98.69	400.90	4.45	-94.24
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C=N1	REAL300002398843	0	34	-2.0	-85.03	318.41	4.70	-80.33
CC(C)(C(=O)[O-])N1C=C(NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL300002398959	0	37	-2.0	-92.45	323.02	3.08	-89.37
CC(C)(C(=O)[O-])N1C=C(NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL300002398959	1	37	-2.0	-92.44	322.97	3.06	-89.38
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2=CC=C([O-])C(Cl)=C2)C=N1	REAL300002398996	0	34	-2.0	-85.00	312.20	4.64	-80.36
CCOC1=CC(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)=CC(Cl)=C1[O-]	REAL300002399000	1	41	-2.0	-89.24	363.25	5.67	-83.57
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CN(C(C)(C)C(=O)[O-])N=C3)=N2)C=C1	REAL300002399010	0	45	-2.0	-106.63	385.01	4.58	-102.05
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)=CO1	REAL300002399034	1	38	-2.0	-89.99	348.17	-0.13	-90.12
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)C=N1	REAL300002399127	0	42	-2.0	-94.73	362.20	8.64	-86.09
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CC(C)(C(=O)[O-])N1C=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=N1	REAL300002399200	1	37	-2.0	-81.26	332.04	2.79	-78.47
COCC1=NC=C(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C(=O)[N-]1	REAL300002399535	1	39	-2.0	-92.23	337.36	1.28	-90.95
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C=N1	REAL300002399583	1	42	-2.0	-92.81	349.81	4.12	-88.69
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C=N1	REAL300002399905	0	34	-2.0	-92.38	328.40	6.69	-85.69
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300002402311	0	47	-2.0	-107.21	391.41	6.34	-100.87
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300002402581	0	47	-2.0	-107.68	391.48	6.56	-101.12
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)O1	REAL300002402997	1	41	-2.0	-100.54	362.46	2.36	-98.18
CC(CNC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)(C(=O)[O-])C1=CC=CC=C1	REAL300002403234	0	44	-2.0	-106.27	370.02	5.67	-100.60
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=CS1	REAL300002403569	1	48	-2.0	-99.49	402.73	6.80	-92.69
CC(CNC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)(C(=O)[O-])C1=CC=CC=C1	REAL300002403785	0	44	-2.0	-100.98	376.42	5.73	-95.25
CC1=C(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300002403873	1	50	-2.0	-118.63	398.29	6.96	-111.67
CC(CNC(=O)C1=CC=C([O-])C(F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002404932	1	37	-2.0	-98.27	315.83	6.59	-91.68
CC(CNC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])(C(=O)[O-])C1=CC=CC=C1	REAL300002404945	1	40	-2.0	-106.92	350.07	8.94	-97.98
CC(CNC(=O)CCC1=N[N-]N=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300002404985	0	37	-2.0	-92.73	313.28	4.66	-88.07
CC(CNC(=O)CCC1=NN=N[N-]1)(C(=O)[O-])C1=CC=CC=C1	REAL300002404985	1	37	-2.0	-92.71	313.33	4.67	-88.04
CC(CNC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002405075	0	43	-2.0	-104.29	371.06	4.68	-99.61
CC(CNC(=O)C1=CN=C(C2CC2)[N-]C1=O)(C(=O)[O-])C1=CC=CC=C1	REAL300002405111	1	42	-2.0	-114.96	348.88	6.09	-108.87
CC(CNC(=O)C1=CN=CC([O-])=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002405155	1	36	-2.0	-98.20	308.58	4.52	-93.68
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CC(CNC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])(C(=O)[O-])C1=CC=CC=C1	REAL300002405272	0	44	-2.0	-120.13	380.72	7.70	-112.43
CC(CNC(=O)C1=C([O-])C2=CC=CC=C2C=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300002405318	1	42	-2.0	-125.01	349.97	8.76	-116.25
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC(C)(C(=O)[O-])C3=CC=CC=C3)=N2)=C1	REAL300002405485	0	47	-2.0	-127.95	395.15	8.45	-119.50
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300002405486	0	50	-2.0	-126.54	411.66	9.54	-117.00
CC(CNC(=O)C1=CC(F)=C([O-])C(Cl)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002405623	0	37	-2.0	-93.45	331.60	7.06	-86.39
COC1=C(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)NC(=O)[N-]C1=O	REAL300002405640	1	40	-2.0	-97.58	341.71	2.04	-95.54
CC(CNC(=O)CCCC1=N[N-]N=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300002405744	0	40	-2.0	-96.78	338.68	5.25	-91.53
CC(CNC(=O)CCCC1=NN=N[N-]1)(C(=O)[O-])C1=CC=CC=C1	REAL300002405744	1	40	-2.0	-96.78	338.74	5.26	-91.52
CC(CNC(=O)C1=CC=C([O-])C(Cl)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002405784	0	37	-2.0	-95.34	325.62	7.09	-88.25
CCOC1=CC(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=CC(Cl)=C1[O-]	REAL300002405788	1	44	-2.0	-100.83	380.59	7.93	-92.90
COC1=CC=C(N2C=C([O-])C(C(=O)NCC(C)(C(=O)[O-])C3=CC=CC=C3)=N2)C=C1	REAL300002405797	0	48	-2.0	-123.73	399.88	7.11	-116.62
C[N-]S(=O)(=O)C1=CC(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=CO1	REAL300002405821	1	41	-2.0	-94.22	361.60	2.33	-91.89
CC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300002405989	0	40	-2.0	-90.73	345.37	5.24	-85.49
CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300002405989	1	40	-2.0	-90.73	345.43	5.23	-85.50
CC(CNC(=O)C1=C[N-]N=CC1=O)(C(=O)[O-])C1=CC=CC=C1	REAL300002406288	0	35	-2.0	-102.13	296.88	5.14	-96.99
COCC1=NC=C(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C(=O)[N-]1	REAL300002406324	1	42	-2.0	-113.25	350.72	3.75	-109.50
CC(CNC(=O)C1=CN=C(C2CCC2)[N-]C1=O)(C(=O)[O-])C1=CC=CC=C1	REAL300002406374	1	45	-2.0	-116.59	368.54	6.46	-110.13
CC(CNC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])(C(=O)[O-])C1=CC=CC=C1	REAL300002406702	0	37	-2.0	-104.21	340.22	9.18	-95.03
CC1=C(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300002407012	0	45	-2.0	-121.24	378.95	6.06	-115.18
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O=C([O-])C1=NN(C2=CC(CNC(=O)CCC3=NN=N[N-]3)=CC=C2)C=C1	REAL300002410219	0	38	-2.0	-106.71	345.54	4.53	-102.18
O=C([O-])C1=NN(C2=CC(CNC(=O)CCC3=N[N-]N=N3)=CC=C2)C=C1	REAL300002410219	1	38	-2.0	-106.72	345.48	4.51	-102.21
O=C([O-])C1=NN(C2=CC=CC(CNC(=O)C3=CN=C(C4CC4)[N-]C3=O)=C2)C=C1	REAL300002410296	1	43	-2.0	-112.10	381.08	5.94	-106.16
O=C([O-])C1=NN(C2=CC(CNC(=O)C3=CN=CC([O-])=C3)=CC=C2)C=C1	REAL300002410315	1	37	-2.0	-111.99	336.93	4.57	-107.42
O=C([O-])C1=NN(C2=CC=CC(CNC(=O)C3=C([O-])C4=CC=CC=C4C=N3)=C2)C=C1	REAL300002410429	1	43	-2.0	-128.00	382.17	8.61	-119.39
O=C([O-])C1=NN(C2=CC(CNC(=O)C3=CC(F)=C([O-])C(Cl)=C3)=CC=C2)C=C1	REAL300002410675	0	38	-2.0	-107.56	364.10	6.99	-100.57
COC1=C(C(=O)NCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)NC(=O)[N-]C1=O	REAL300002410694	1	41	-2.0	-111.46	370.25	2.08	-109.38
O=C([O-])C1=NN(C2=CC(CNC(=O)CCCC3=NN=N[N-]3)=CC=C2)C=C1	REAL300002410775	0	41	-2.0	-112.27	367.10	5.31	-106.96
O=C([O-])C1=NN(C2=CC(CNC(=O)CCCC3=N[N-]N=N3)=CC=C2)C=C1	REAL300002410775	1	41	-2.0	-112.26	367.04	5.30	-106.96
O=C([O-])C1=NN(C2=CC(CNC(=O)C3=CC=C([O-])C(Cl)=C3)=CC=C2)C=C1	REAL300002410805	0	38	-2.0	-107.25	357.89	6.94	-100.31
O=C([O-])C1=NN(C2=CC=CC(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=C2)C=C1	REAL300002410942	0	41	-2.0	-102.86	377.64	5.08	-97.78
O=C([O-])C1=NN(C2=CC=CC(CNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)=C2)C=C1	REAL300002410942	1	41	-2.0	-102.89	377.57	5.09	-97.80
O=C([O-])C1=NN(C2=CC=CC(CNC(=O)C3=C[N-]N=CC3=O)=C2)C=C1	REAL300002411134	0	36	-2.0	-103.32	329.14	4.99	-98.33
COCC1=NC=C(C(=O)NCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C(=O)[N-]1	REAL300002411160	1	43	-2.0	-111.72	382.99	3.59	-108.13
O=C([O-])C1=NN(C2=CC=CC(CNC(=O)C3=CN=C(C4CCC4)[N-]C3=O)=C2)C=C1	REAL300002411197	1	46	-2.0	-112.11	396.84	6.48	-105.63
CC1=C(CCC(=O)NCC2=CC=C(C(=O)[O-])O2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300002412388	1	48	-2.0	-98.25	404.86	5.61	-92.64
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2=CC=C(C(=O)[O-])O2)=C1	REAL300002412748	0	38	-2.0	-98.70	347.02	3.44	-95.26
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=CC=C(C(=O)[O-])O1	REAL300002413061	0	38	-2.0	-99.61	347.09	3.66	-95.95
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC2=CC=C(C(=O)[O-])O2)C=C1	REAL300002413110	1	40	-2.0	-101.01	369.45	8.58	-92.43
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=CC=C(C(=O)[O-])O2)O1	REAL300002413560	1	41	-2.0	-95.55	372.83	1.89	-93.66
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=CC=C(C(=O)[O-])O2)O1	REAL300002413561	1	32	-2.0	-94.93	318.07	-0.55	-95.48
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2=CC=C(C(=O)[O-])O2)=C1	REAL300002413794	0	42	-2.0	-105.63	381.69	1.66	-103.97
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=CC=C(C(=O)[O-])O1	REAL300002413839	0	35	-2.0	-98.32	325.62	2.76	-95.56
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC2=CC=C(C(=O)[O-])O2)=CS1	REAL300002414214	1	39	-2.0	-99.82	359.81	3.86	-95.96
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCC1=CC=C(C(=O)[O-])O1	REAL300002414448	0	35	-2.0	-93.53	332.03	2.82	-90.71
CC1=C(CC(=O)NCC2=CC=C(C(=O)[O-])O2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002414454	1	41	-2.0	-107.25	369.75	4.02	-103.23
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=CC=C(C(=O)[O-])O1	REAL300002414459	0	41	-2.0	-100.08	368.59	4.45	-95.63
CC1=C(C(=O)NCC2=CC=C(C(=O)[O-])O2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300002414529	1	41	-2.0	-98.69	349.98	4.23	-94.46
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NCC1=CC=C(C(=O)[O-])O1	REAL300002415258	0	41	-2.0	-102.84	371.51	5.01	-97.83
O=C([O-])C1=CC=C(CNC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])O1	REAL300002415450	1	31	-2.0	-97.70	301.77	6.24	-91.46
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC2=CC=C(C(=O)[O-])O2)C=N1	REAL300002415548	0	34	-2.0	-97.68	326.67	1.78	-95.90
O=C([O-])C1=CC=C(CNC(=O)C2=CN=C(C3CC3)[N-]C2=O)O1	REAL300002415578	1	33	-2.0	-97.29	304.48	3.19	-94.10
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCC3=CC=C(C(=O)[O-])O3)=N2)=C1	REAL300002415633	0	44	-2.0	-111.65	386.27	6.82	-104.83
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC3=CC=C(C(=O)[O-])O3)=N2)C=C1	REAL300002415634	0	44	-2.0	-110.06	386.20	6.82	-103.24
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC2=CC=C(C(=O)[O-])O2)=N1	REAL300002415708	0	38	-2.0	-107.11	353.73	5.93	-101.18
O=C([O-])C1=CC=C(CNC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])O1	REAL300002415712	0	35	-2.0	-107.51	332.42	4.97	-102.54
O=C([O-])C1=CC=C(CNC(=O)C2=C([O-])C3=CC=CC=C3C=N2)O1	REAL300002415736	1	33	-2.0	-108.79	305.57	5.85	-102.94
O=C([O-])C1=CC=C(CNC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)O1	REAL300002415755	0	35	-2.0	-86.16	347.89	3.07	-83.09
O=C([O-])C1=CC=C(CNC(=O)C2=CN=C(I)C([O-])=C2)O1	REAL300002415804	0	27	-2.0	-89.86	287.14	2.81	-87.05
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC3=CC=C(C(=O)[O-])O3)=N2)=C1	REAL300002415866	0	38	-2.0	-113.93	350.76	5.55	-108.38
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC2=CC=C(C(=O)[O-])O2)=N1	REAL300002415867	0	41	-2.0	-110.92	360.28	6.70	-104.22
CC1=C(CC(=O)NCC2=CC=C(C(=O)[O-])O2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002415924	1	41	-2.0	-106.06	369.94	4.01	-102.05
O=C([O-])C1=CC=C(CNC(=O)C2=CC(F)=C([O-])C(Cl)=C2)O1	REAL300002415964	0	28	-2.0	-90.93	287.44	4.23	-86.70
COC1=C(C(=O)NCC2=CC=C(C(=O)[O-])O2)NC(=O)[N-]C1=O	REAL300002415972	1	31	-2.0	-94.57	293.41	-0.67	-95.24
CCOC1=CC(C(=O)NCC2=CC=C(C(=O)[O-])O2)=CC(Cl)=C1[O-]	REAL300002416076	1	35	-2.0	-95.17	332.28	5.21	-89.96
O=C([O-])C1=CC=C(CNC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])O1	REAL300002416080	0	38	-2.0	-115.23	355.91	6.33	-108.90
COC1=CC=C(N2C=C([O-])C(C(=O)NCC3=CC=C(C(=O)[O-])O3)=N2)C=C1	REAL300002416088	0	39	-2.0	-110.20	355.49	4.20	-106.00
C[N-]S(=O)(=O)C1=CC(C(=O)NCC2=CC=C(C(=O)[O-])O2)=CO1	REAL300002416109	1	32	-2.0	-94.61	317.20	-0.57	-95.18
O=C([O-])C1=CC=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)O1	REAL300002416235	0	31	-2.0	-88.17	300.97	2.33	-85.84
O=C([O-])C1=CC=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)O1	REAL300002416235	1	31	-2.0	-88.13	301.04	2.33	-85.80
COCC1=NC=C(C(=O)NCC2=CC=C(C(=O)[O-])O2)C(=O)[N-]1	REAL300002416501	1	33	-2.0	-96.34	306.32	0.84	-95.50
O=C([O-])C1=CC=C(CNC(=O)C2=CN=C(C3CCC3)[N-]C2=O)O1	REAL300002416538	1	36	-2.0	-97.38	320.24	3.74	-93.64
O=C([O-])C1=CC=C(CNC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])O1	REAL300002416794	0	28	-2.0	-94.79	295.83	6.27	-88.52
CC1=C(C(=O)NCC2=CC=C(C(=O)[O-])O2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300002417051	0	36	-2.0	-101.83	330.20	3.32	-98.51
CC1=C(CCC(=O)N2CCCC(C(=O)[O-])C2)C(=O)NC(N2CCOCC2)=N1	REAL300002417602	0	51	-2.0	-103.95	401.26	7.27	-96.68
CC1=C(CCC(=O)N2CCCC(C(=O)[O-])C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300002417602	1	51	-2.0	-103.95	401.26	7.27	-96.68
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300002417950	0	41	-2.0	-107.49	343.82	4.49	-103.00
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(C(=O)[O-])C1	REAL300002418260	0	41	-2.0	-104.15	343.43	4.72	-99.43
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300002418306	1	43	-2.0	-112.90	363.59	10.09	-102.81
O=C([O-])C1CCCN(C(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3)C=C2)C1	REAL300002418488	1	45	-2.0	-98.40	380.74	6.88	-91.52
O=C([O-])C1CCCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)C1	REAL300002418489	1	45	-2.0	-104.44	379.40	6.83	-97.61
CC1=CC(C(=O)N2CCCC(C(=O)[O-])C2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300002418502	0	41	-2.0	-83.90	360.64	5.01	-78.89
O=C([O-])C1CCCN(C(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CS3)C=C2)C1	REAL300002418734	0	42	-2.0	-100.77	372.65	5.88	-94.89
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC(C(=O)[O-])C2)O1	REAL300002418752	1	44	-2.0	-111.74	363.22	3.48	-108.26
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC(C(=O)[O-])C2)O1	REAL300002418753	1	35	-2.0	-110.26	309.61	0.95	-109.31
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300002418993	0	45	-2.0	-106.96	373.92	2.73	-104.23
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(C(=O)[O-])C1	REAL300002419039	0	38	-2.0	-103.03	322.46	3.84	-99.19
O=C([O-])C1CCCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CS3)=C2)C1	REAL300002419047	0	42	-2.0	-96.27	372.88	5.89	-90.38
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCCC(C(=O)[O-])C2)=CS1	REAL300002419399	1	42	-2.0	-108.45	354.44	5.45	-103.00
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCCC(C(=O)[O-])C1	REAL300002419607	0	38	-2.0	-98.48	328.21	3.89	-94.59
CC1=C(CC(=O)N2CCCC(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002419614	1	44	-2.0	-114.52	363.90	5.61	-108.91
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(C(=O)[O-])C1	REAL300002419619	0	44	-2.0	-104.69	364.92	5.51	-99.18
CC1=C(C(=O)N2CCCC(C(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300002419681	1	44	-2.0	-108.18	353.00	5.18	-103.00
O=C([O-])C1CCCN(C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3)C=C2)C1	REAL300002419780	1	45	-2.0	-94.68	380.87	6.88	-87.80
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)N1CCCC(C(=O)[O-])C1	REAL300002420329	0	44	-2.0	-111.55	367.97	6.08	-105.47
O=C([O-])C1CCCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300002420498	1	34	-2.0	-101.12	298.54	6.17	-94.95
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCCC(C(=O)[O-])C2)C=N1	REAL300002420585	0	37	-2.0	-95.07	321.61	2.96	-92.11
O=C([O-])C1CCCN(C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=NC=C3)C=C2)C1	REAL300002420646	1	44	-2.0	-91.51	375.89	5.10	-86.41
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCCC(C(=O)[O-])C3)=N2)=C1	REAL300002420661	0	47	-2.0	-119.47	377.49	8.62	-110.85
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCCC(C(=O)[O-])C3)=N2)C=C1	REAL300002420662	0	47	-2.0	-118.43	377.24	8.60	-109.83
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCCC(C(=O)[O-])C2)=N1	REAL300002420731	0	41	-2.0	-114.01	349.70	7.17	-106.84
O=C([O-])C1CCCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1	REAL300002420735	0	38	-2.0	-117.31	323.64	6.78	-110.53
O=C([O-])C1CCCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300002420756	1	36	-2.0	-121.11	297.21	7.84	-113.27
O=C([O-])C1CCCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)C1	REAL300002420774	0	38	-2.0	-89.82	340.94	4.26	-85.56
O=C([O-])C1CCCN(C(=O)C2=CN=C(I)C([O-])=C2)C1	REAL300002420812	0	30	-2.0	-91.82	280.46	3.93	-87.89
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCCC(C(=O)[O-])C3)=N2)=C1	REAL300002420861	0	41	-2.0	-123.01	341.80	7.33	-115.68
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCCC(C(=O)[O-])C2)=N1	REAL300002420862	0	44	-2.0	-118.22	362.88	7.91	-110.31
CC1=C(CC(=O)N2CCCC(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002420903	1	44	-2.0	-113.04	364.04	5.61	-107.43
O=C([O-])C1CCCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300002420935	0	31	-2.0	-96.43	282.56	5.51	-90.92
CCOC1=CC(C(=O)N2CCCC(C(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300002421019	1	38	-2.0	-94.40	326.83	6.45	-87.95
O=C([O-])C1CCCN(C(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])C1	REAL300002421023	0	41	-2.0	-120.84	352.34	7.55	-113.29
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCCC(C(=O)[O-])C3)=N2)C=C1	REAL300002421030	0	42	-2.0	-118.48	346.53	5.98	-112.50
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCCC(C(=O)[O-])C2)=CO1	REAL300002421047	1	35	-2.0	-96.98	308.89	0.77	-96.21
O=C([O-])C1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300002421167	0	34	-2.0	-85.00	292.64	4.32	-80.68
O=C([O-])C1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300002421167	1	34	-2.0	-84.93	292.71	4.32	-80.61
O=C([O-])C1CCCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300002421427	1	39	-2.0	-106.15	321.14	4.95	-101.20
O=C([O-])C1CCCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300002421630	0	31	-2.0	-98.00	291.75	6.33	-91.67
CC1=C(C(=O)N2CCCC(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300002421853	0	39	-2.0	-111.17	332.68	4.40	-106.77
O=C([O-])C1=CC=C(C(=O)NC2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)C=C1	REAL300002424301	1	42	-2.0	-104.99	377.42	7.04	-97.95
O=C([O-])C1=CC=CC(C(=O)NC2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)=C1	REAL300002424302	1	42	-2.0	-120.23	377.43	7.03	-113.20
O=C([O-])C1=CC=CC(C(=O)NC2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)=N1	REAL300002424303	1	41	-2.0	-106.00	375.55	5.31	-100.69
O=C([O-])C1=CC(C(=O)NC2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)=CC=N1	REAL300002424304	1	41	-2.0	-119.30	373.51	5.26	-114.04
O=C([O-])C1=CC=C(C(=O)NC2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)O1	REAL300002424305	1	39	-2.0	-99.35	363.84	5.43	-93.92
O=C([O-])C1(C(=O)NC2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)CC1	REAL300002424306	1	39	-2.0	-101.00	350.54	5.55	-95.45
O=C([O-])C1(C(=O)NC2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)CC1	REAL300002424307	1	39	-2.0	-101.00	350.54	5.55	-95.45
O=C([O-])C1=CC=C(C(=O)NC2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)C=N1	REAL300002424308	1	41	-2.0	-104.57	373.29	5.25	-99.32
O=C([O-])C1=CC=C(C(=O)NC2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)N=C1	REAL300002424309	1	41	-2.0	-98.22	374.82	5.30	-92.92
CC(C)(CC(=O)[O-])CC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300002424310	1	47	-2.0	-111.35	386.59	6.46	-104.89
O=C([O-])C1=CN=C(C(=O)NC2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)C=N1	REAL300002424311	1	40	-2.0	-98.43	370.40	3.45	-94.98
O=C([O-])C1=CC=C(C(=O)NC2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)C=C1	REAL300002424312	1	42	-2.0	-104.99	377.42	7.04	-97.95
O=C([O-])[C@@H]1CC[C@H](C(=O)NC2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)C1	REAL300002424313	1	45	-2.0	-119.58	384.82	6.61	-112.97
O=C([O-])C1=CC=NC(C(=O)NC2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)=C1	REAL300002424314	1	41	-2.0	-110.59	375.02	5.31	-105.28
O=C([O-])C12CC(C(=O)NC3=CC=CC([N-]S(=O)(=O)C4=CC=CC=C4)=C3)(C1)C2	REAL300002424315	1	43	-2.0	-98.05	380.86	6.60	-91.45
O=C([O-])C1(C(=O)NC2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)CCC1	REAL300002424316	1	42	-2.0	-110.71	364.75	5.98	-104.73
CC(C)(C(=O)[O-])C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300002424317	1	41	-2.0	-123.41	357.50	6.14	-117.27
CC(C)(CC(=O)[O-])CC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300002424318	1	47	-2.0	-111.35	386.59	6.46	-104.89
O=C([O-])CCCC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300002424319	1	41	-2.0	-117.07	364.23	5.64	-111.43
CC(CC(=O)[O-])CC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300002424320	1	44	-2.0	-115.16	376.84	6.09	-109.07
O=C([O-])C1=CC(C(=O)NC2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)=NO1	REAL300002424321	1	38	-2.0	-96.73	358.29	4.60	-92.13
O=C([O-])C1(C(=O)NC2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)CCCC1	REAL300002424322	1	45	-2.0	-105.58	379.18	6.61	-98.97
O=C([O-])CSCCC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300002424323	1	42	-2.0	-106.29	387.54	6.20	-100.09
O=C([O-])C1=CC=C(C(=O)NC2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)N=C1	REAL300002424324	1	41	-2.0	-98.22	374.82	5.30	-92.92
O=C([O-])COCC(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300002424325	1	39	-2.0	-120.59	356.64	4.79	-115.80
CC(C)(CCC(=O)[O-])C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300002424326	1	47	-2.0	-118.21	395.71	6.56	-111.65
O=C([O-])[C@@H]1CC[C@H](C(=O)NC2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)C1	REAL300002424327	1	45	-2.0	-119.58	384.82	6.61	-112.97
O=C([O-])C1=CN=CC(C(=O)NC2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)=C1	REAL300002424328	1	41	-2.0	-110.15	372.59	5.24	-104.91
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300002424329	1	42	-2.0	-130.32	364.73	5.96	-124.36
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300002424330	1	42	-2.0	-130.32	364.73	5.96	-124.36
O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300002424331	1	39	-2.0	-120.41	349.61	6.10	-114.31
CCC(C(=O)[O-])C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300002424332	1	41	-2.0	-106.25	362.38	5.43	-100.82
CC(C)C(C(=O)[O-])C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300002424333	1	44	-2.0	-99.95	372.66	6.05	-93.90
O=C([O-])[C@@H]1C[C@H]1C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300002424334	1	39	-2.0	-99.77	354.57	5.58	-94.19
O=C([O-])[C@H]1C[C@@H](C(=O)NC2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)C1	REAL300002424335	1	42	-2.0	-116.54	369.51	6.01	-110.53
CC1(C(=O)[O-])CC(C(=O)NC2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)C1	REAL300002424336	1	45	-2.0	-104.42	386.86	6.43	-97.99
O=C([O-])C1=NNC(C(=O)NC2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)=C1	REAL300002424337	1	39	-2.0	-108.58	361.29	3.46	-105.12
CCCC(C(=O)[O-])C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300002424338	1	44	-2.0	-104.71	378.57	6.22	-98.49
CN1C(C(=O)[O-])=CC=C1C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300002424339	1	43	-2.0	-95.45	377.86	6.48	-88.97
O=C([O-])C1(C(=O)NC2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)CC=CC1	REAL300002424340	1	43	-2.0	-107.76	374.12	6.51	-101.25
O=C([O-])CC1(CC(=O)NC2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)CC1	REAL300002424341	1	45	-2.0	-105.48	388.11	6.78	-98.70
COC(C(=O)[O-])C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300002424342	1	39	-2.0	-106.88	352.86	4.65	-102.23
C[C@]1(C(=O)NC2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)C[C@H]1C(=O)[O-]	REAL300002424343	1	42	-2.0	-111.27	370.19	6.23	-105.04
CC(C(=O)[O-])C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300002424344	1	38	-2.0	-121.48	338.58	5.57	-115.91
CC1CC1(C(=O)[O-])C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300002424345	1	42	-2.0	-108.41	368.68	6.16	-102.25
C=C1CCC1(C(=O)[O-])C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300002424346	1	43	-2.0	-103.99	379.74	6.31	-97.68
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300002424347	1	45	-2.0	-123.46	384.35	6.57	-116.89
CN(CC1=NC(=O)C2=C(C=CS2)[N-]1)C(=O)C12CC(C(=O)[O-])(C1)C2	REAL300002425269	0	36	-2.0	-104.83	323.70	5.53	-99.30
CN(CC1=NC(=O)C2=C(C=CS2)[N-]1)C(=O)C12CCC(C(=O)[O-])(CC1)C2	REAL300002425273	0	42	-2.0	-111.03	350.77	6.24	-104.79
CN(CC1=NC(=O)C2=C(C=CS2)[N-]1)C(=O)C12CCC(C(=O)[O-])(CC1)CC2	REAL300002425274	0	45	-2.0	-103.89	359.84	6.55	-97.34
CN(CC1=NC(=O)C2=C(C=CS2)[N-]1)C(=O)C12CC(C(=O)[O-])(C1)CO2	REAL300002425347	0	37	-2.0	-103.02	332.46	3.63	-99.39
CN(CC1=NC(=O)C2=C(C=CS2)[N-]1)C(=O)C12CCC(C(=O)[O-])(CC1)CC2	REAL300002425366	0	45	-2.0	-103.89	359.84	6.55	-97.34
CCC(NC(=O)C1=CC=C([O-])C(F)=C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002438272	1	37	-2.0	-102.64	327.51	8.00	-94.64
CCC(NC(=O)CCC1=N[N-]N=N1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002438326	0	37	-2.0	-99.07	324.97	6.02	-93.05
CCC(NC(=O)CCC1=NN=N[N-]1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002438326	1	37	-2.0	-99.06	325.03	6.04	-93.02
CCC(NC(=O)C1=CN=CC([O-])=C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002438408	1	36	-2.0	-108.49	316.35	6.09	-102.40
CCC(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002438495	1	42	-2.0	-139.04	361.58	9.64	-129.40
CCC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002438710	0	37	-2.0	-99.59	343.52	8.54	-91.05
CCC(NC(=O)C1=C(OC)C(=O)[N-]C(=O)N1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002438723	1	40	-2.0	-100.08	349.60	3.11	-96.97
CCC(NC(=O)CCCC1=N[N-]N=N1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002438790	0	40	-2.0	-108.35	346.47	6.80	-101.55
CCC(NC(=O)CCCC1=NN=N[N-]1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002438790	1	40	-2.0	-108.37	346.52	6.82	-101.55
CCC(NC(=O)C1=CC=C([O-])C(Cl)=C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002438817	0	37	-2.0	-100.64	337.31	8.49	-92.15
CCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002438939	0	40	-2.0	-92.23	356.98	6.58	-85.65
CCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002438939	1	40	-2.0	-92.22	357.05	6.59	-85.63
CCC(NC(=O)C1=C[N-]N=CC1=O)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002439108	0	35	-2.0	-103.33	308.57	6.54	-96.79
CCC(NC(=O)C1=CN=C(COC)[N-]C1=O)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002439128	1	42	-2.0	-112.05	362.48	5.09	-106.96
COC1=CC=C(NC(=O)CN2C(=S)[N-]N=C2C2=CC=C(C)C=C2)C(C(=O)[O-])=C1	REAL300002440573	1	44	-2.0	-102.99	385.71	9.53	-93.46
COC1=CC=C(NC(=O)C2=CC=C(S(=O)(=O)[N-]C(C)(C)C)O2)C(C(=O)[O-])=C1	REAL300002440924	1	45	-2.0	-105.96	387.77	3.04	-102.92
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(OC)C=C2C(=O)[O-])O1	REAL300002440925	1	36	-2.0	-105.02	334.15	0.51	-104.51
COC1=CC=C(NC(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)C(C(=O)[O-])=C1	REAL300002441400	1	43	-2.0	-99.34	374.72	4.85	-94.49
COC1=CC=C(NC(=O)CC2=C(C)N=C(C3=CC=CN=C3)[N-]C2=O)C(C(=O)[O-])=C1	REAL300002441592	1	45	-2.0	-105.68	385.86	5.07	-100.61
COC1=CC=C(C(=O)NC2=CC=C(OC)C=C2C(=O)[O-])C([O-])=C1	REAL300002442053	1	36	-2.0	-109.51	307.41	5.39	-104.12
COC1=CC=C(NC(=O)C2=CC=C([O-])C(F)=C2)C(C(=O)[O-])=C1	REAL300002442496	1	32	-2.0	-96.88	287.34	4.72	-92.16
COC1=CC=C(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C(C(=O)[O-])=C1	REAL300002442505	1	35	-2.0	-103.17	317.85	7.17	-96.00
COC1=CC=C(NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C(C(=O)[O-])=C1	REAL300002442590	0	38	-2.0	-106.56	342.75	2.83	-103.73
COC1=CC=C(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)C(C(=O)[O-])=C1	REAL300002442615	1	37	-2.0	-116.62	321.20	4.26	-112.36
COC1=CC=C(NC(=O)C2=NN(C3=CC=CC(C(C)C)=C3)C=C2[O-])C(C(=O)[O-])=C1	REAL300002442667	0	48	-2.0	-124.07	401.35	7.82	-116.25
COC1=CC=C(NC(=O)C2=NN(C3=CC=C(C(C)C)C=C3)C=C2[O-])C(C(=O)[O-])=C1	REAL300002442668	0	48	-2.0	-121.20	401.28	7.82	-113.38
COC1=CC=C(NC(=O)C2=NN(C3=CC=C(F)C=C3C)C=C2[O-])C(C(=O)[O-])=C1	REAL300002442735	0	42	-2.0	-117.02	364.66	6.94	-110.08
COC1=CC=C(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C(C(=O)[O-])=C1	REAL300002442740	0	39	-2.0	-116.65	347.49	5.97	-110.68
COC1=CC=C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C(C(=O)[O-])=C1	REAL300002442770	0	37	-2.0	-122.21	321.67	6.82	-115.39
COC1=CC=C(NC(=O)C2=NN(C3=CC(C)=CC=C3F)C=C2[O-])C(C(=O)[O-])=C1	REAL300002442907	0	42	-2.0	-124.71	365.84	6.55	-118.16
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(OC)C=C2C(=O)[O-])=N1	REAL300002442908	0	45	-2.0	-120.97	372.94	7.60	-113.37
COC1=CC=C(NC(=O)CC2=C(C)N=C(C3=CC=NC=C3)[N-]C2=O)C(C(=O)[O-])=C1	REAL300002442967	1	45	-2.0	-103.89	386.04	5.06	-98.83
COC1=CC=C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C(C(=O)[O-])=C1	REAL300002443022	0	32	-2.0	-95.76	303.92	5.30	-90.46
COC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C(C(=O)[O-])=C1	REAL300002443110	0	35	-2.0	-93.94	306.46	3.58	-90.36
COC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C(C(=O)[O-])=C1	REAL300002443110	1	35	-2.0	-93.98	306.52	3.59	-90.39
COC1=CC=C(NC(=O)C2=CC=C([O-])C(Cl)=C2)C(C(=O)[O-])=C1	REAL300002443140	0	32	-2.0	-94.76	297.14	5.20	-89.56
CCOC1=CC(C(=O)NC2=CC=C(OC)C=C2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300002443144	1	39	-2.0	-101.18	348.76	6.28	-94.90
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(OC)C=C3C(=O)[O-])=N2)C=C1	REAL300002443150	0	43	-2.0	-120.91	370.56	5.20	-115.71
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=C(OC)C=C2C(=O)[O-])=CO1	REAL300002443165	1	36	-2.0	-92.91	333.11	0.46	-92.45
COC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C(=O)[O-])=C1	REAL300002443304	0	35	-2.0	-93.31	317.14	3.39	-89.92
COC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C(=O)[O-])=C1	REAL300002443304	1	35	-2.0	-93.36	317.07	3.37	-89.99
COCC1=NC=C(C(=O)NC2=CC=C(OC)C=C2C(=O)[O-])C(=O)[N-]1	REAL300002443563	1	37	-2.0	-114.79	323.05	1.92	-112.87
COC1=CC=C(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C(C(=O)[O-])=C1	REAL300002443605	1	40	-2.0	-116.81	336.95	4.81	-112.00
COC1=CC=C(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C(C(=O)[O-])=C1	REAL300002443848	0	32	-2.0	-101.32	311.91	7.21	-94.11
CC1=C(CCC(=O)N2CCC[C@@H]2C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300002444526	1	48	-2.0	-112.96	383.57	6.92	-106.04
O=C([O-])[C@H]1CCCN1C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1	REAL300002444933	1	42	-2.0	-111.05	368.82	6.34	-104.71
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300002444993	1	40	-2.0	-138.68	349.53	9.73	-128.95
O=C([O-])[C@H]1CCCN1C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300002445038	1	42	-2.0	-116.81	362.96	6.29	-110.52
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300002445040	1	45	-2.0	-105.58	383.02	7.14	-98.44
O=C([O-])[C@H]1CCCN1C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300002445128	1	42	-2.0	-125.36	356.55	6.22	-119.14
O=C([O-])[C@H]1CCCN1C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300002445129	1	42	-2.0	-118.63	363.13	6.38	-112.25
CC1=CC(C(=O)N2CCC[C@@H]2C(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300002445138	0	38	-2.0	-101.50	343.76	4.48	-97.02
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N3CCC[C@@H]3C(=O)[O-])C=C2)C=C1	REAL300002445232	1	45	-2.0	-106.69	384.53	7.06	-99.63
O=C([O-])[C@H]1CCCN1C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300002445298	0	39	-2.0	-122.47	348.47	5.22	-117.25
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC[C@@H]2C(=O)[O-])O1	REAL300002445315	1	41	-2.0	-100.57	347.34	3.39	-97.18
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC[C@@H]2C(=O)[O-])O1	REAL300002445316	1	32	-2.0	-99.39	293.73	0.83	-98.56
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N3CCC[C@@H]3C(=O)[O-])=C2)C=C1	REAL300002445408	1	45	-2.0	-119.12	383.79	6.96	-112.16
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)N3CCC[C@@H]3C(=O)[O-])=C2)=C1	REAL300002445433	1	45	-2.0	-121.00	383.84	6.96	-114.04
O=C([O-])[C@H]1CCCN1C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300002445522	0	39	-2.0	-112.28	355.09	5.38	-106.90
O=C([O-])[C@H]1CCCN1C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300002445523	0	42	-2.0	-128.15	383.05	6.50	-121.65
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC[C@@H]2C(=O)[O-])=CS1	REAL300002445737	1	39	-2.0	-126.41	339.91	5.04	-121.37
CC1=C(CC(=O)N2CCC[C@@H]2C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002445882	1	41	-2.0	-137.74	350.77	5.25	-132.49
O=C([O-])[C@H]1CCCN1C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300002446010	1	42	-2.0	-108.43	356.75	6.24	-102.19
O=C([O-])[C@H]1CCCN1C(=O)C1=CC(Br)=C([O-])C(Br)=C1	REAL300002446386	0	28	-2.0	-100.71	282.77	5.69	-95.02
O=C([O-])[C@H]1CCCN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300002446422	1	31	-2.0	-114.89	271.95	6.77	-108.12
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC[C@@H]2C(=O)[O-])C=N1	REAL300002446478	0	34	-2.0	-110.18	303.43	2.47	-107.71
O=C([O-])[C@H]1CCCN1C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300002446518	1	41	-2.0	-103.23	351.78	4.46	-98.77
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC[C@@H]3C(=O)[O-])=N2)=C1	REAL300002446532	0	44	-2.0	-142.97	363.25	8.20	-134.77
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC[C@@H]3C(=O)[O-])=N2)C=C1	REAL300002446533	0	44	-2.0	-141.77	363.20	8.22	-133.55
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC[C@@H]2C(=O)[O-])=N1	REAL300002446569	0	38	-2.0	-138.71	328.63	7.31	-131.40
O=C([O-])[C@H]1CCCN1C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300002446572	0	35	-2.0	-139.54	308.07	6.70	-132.84
O=C([O-])[C@H]1CCCN1C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300002446593	0	35	-2.0	-102.44	324.67	3.81	-98.63
O=C([O-])[C@H]1CCCN1C(=O)C1=CN=C(I)C([O-])=C1	REAL300002446619	0	27	-2.0	-110.24	262.95	3.37	-106.87
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC[C@@H]3C(=O)[O-])=N2)=C1	REAL300002446641	0	38	-2.0	-146.96	327.79	6.93	-140.03
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC[C@@H]2C(=O)[O-])=N1	REAL300002446642	0	41	-2.0	-145.38	343.21	8.04	-137.34
CC1=C(CC(=O)N2CCC[C@@H]2C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002446655	1	41	-2.0	-135.89	348.63	5.33	-130.56
CCOC1=CC(C(=O)N2CCC[C@@H]2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300002446705	1	35	-2.0	-112.67	302.54	5.78	-106.89
O=C([O-])[C@H]1CCCN1C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300002446708	0	38	-2.0	-142.23	337.70	7.21	-135.02
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC[C@@H]3C(=O)[O-])=N2)C=C1	REAL300002446711	0	39	-2.0	-141.11	331.14	5.93	-135.18
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC[C@@H]2C(=O)[O-])=CO1	REAL300002446720	1	32	-2.0	-109.41	292.55	0.30	-109.11
O=C([O-])[C@H]1CCCN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300002447053	0	28	-2.0	-112.06	265.65	6.80	-105.26
CC1=C(CCC(=O)N(C)C(C)C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300002447407	1	47	-2.0	-99.57	374.25	6.09	-93.48
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)N(C)C(C)C(=O)[O-])C=C2)C=C1C	REAL300002447454	1	47	-2.0	-102.03	391.20	7.02	-95.01
CC(C(=O)[O-])N(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1	REAL300002447752	1	41	-2.0	-102.97	360.88	5.91	-97.06
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)N(C)C(C)C(=O)[O-])=C2)C=C1F	REAL300002447769	1	44	-2.0	-103.46	380.75	6.45	-97.01
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300002447811	1	39	-2.0	-117.20	337.92	9.05	-108.15
CC(C(=O)[O-])N(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300002447852	1	41	-2.0	-94.21	359.17	5.88	-88.33
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300002447854	1	44	-2.0	-94.89	372.81	6.59	-88.30
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)C(C)C(=O)[O-])C=C2)=C1C	REAL300002447857	1	47	-2.0	-95.95	389.30	7.03	-88.92
CC(C(=O)[O-])N(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300002447942	1	41	-2.0	-100.65	352.26	5.72	-94.93
CC(C(=O)[O-])N(C)C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300002447943	1	44	-2.0	-104.04	387.32	6.95	-97.09
CC(C(=O)[O-])N(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300002447944	1	41	-2.0	-106.55	354.01	5.74	-100.81
CC1=CC(C(=O)N(C)C(C)C(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300002447955	0	37	-2.0	-88.24	335.27	3.92	-84.32
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)C(C)C(=O)[O-])C=C2)C=C1	REAL300002448037	1	44	-2.0	-95.56	374.31	6.50	-89.06
CC(C(=O)[O-])N(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2)=C1	REAL300002448098	1	41	-2.0	-104.28	371.18	6.36	-97.92
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)N(C)C(C)C(=O)[O-])=C1	REAL300002448099	0	45	-2.0	-113.36	383.69	5.19	-108.17
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)C(C)C(=O)[O-])=C2)C=C1	REAL300002448100	1	45	-2.0	-107.97	383.98	5.13	-102.84
CC(C(=O)[O-])N(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300002448105	0	38	-2.0	-102.46	344.73	4.83	-97.63
CC(C(=O)[O-])N(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300002448118	1	40	-2.0	-93.07	338.17	2.59	-90.48
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)C(C)C(=O)[O-])=C2)C=C1	REAL300002448183	1	44	-2.0	-110.08	375.85	6.51	-103.57
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)N(C)C(C)C(=O)[O-])=CC=C2C)C=C1	REAL300002448188	1	47	-2.0	-102.67	390.42	7.30	-95.37
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)N(C)C(C)C(=O)[O-])C=C2)=CC=C1F	REAL300002448192	1	44	-2.0	-94.69	379.50	6.51	-88.18
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300002448193	1	44	-2.0	-97.67	374.68	6.67	-91.00
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300002448211	0	45	-2.0	-98.70	382.15	5.16	-93.54
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2)C=C1C(=O)N(C)C(C)C(=O)[O-]	REAL300002448212	1	44	-2.0	-92.76	380.27	6.53	-86.23
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)N(C)C(C)C(=O)[O-])=CC=C2C)=C1	REAL300002448213	1	47	-2.0	-103.93	388.66	7.24	-96.69
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)C(C)C(=O)[O-])=C2)=C1	REAL300002448214	1	44	-2.0	-110.34	375.42	6.43	-103.91
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)N(C)C(C)C(=O)[O-])=C2)=C1	REAL300002448215	1	47	-2.0	-99.25	395.34	7.21	-92.04
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)N(C)C(C)C(=O)[O-])=C2)=C1	REAL300002448218	1	47	-2.0	-106.51	390.91	7.18	-99.33
CC(C(=O)[O-])N(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300002448296	0	38	-2.0	-105.05	346.38	4.85	-100.20
CC(C(=O)[O-])N(C)C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300002448297	0	41	-2.0	-109.59	372.33	5.80	-103.79
CC(C)C(=O)[N-]C1=NC(CC(=O)N(C)C(C)C(=O)[O-])=CS1	REAL300002448483	1	38	-2.0	-102.64	328.80	4.46	-98.18
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)C(C)C(=O)[O-])C=C2)C=C1	REAL300002448538	1	45	-2.0	-93.84	382.43	5.12	-88.72
CC1=C(CC(=O)N(C)C(C)C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002448606	1	40	-2.0	-107.73	339.50	4.58	-103.15
CC(C(=O)[O-])N(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300002448718	1	41	-2.0	-94.51	352.38	5.73	-88.78
CC(C(=O)[O-])N(C)C(=O)C1=CC(Br)=C([O-])C(Br)=C1	REAL300002449004	0	27	-2.0	-87.39	270.66	5.00	-82.39
CC(C(=O)[O-])N(C)C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300002449074	0	33	-2.0	-97.16	293.78	2.00	-95.16
CC(C(=O)[O-])N(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300002449108	1	40	-2.0	-90.74	347.42	3.95	-86.79
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N(C)C(C)C(=O)[O-])=N2)=C1	REAL300002449120	0	43	-2.0	-123.01	352.90	7.69	-115.32
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N(C)C(C)C(=O)[O-])=N2)C=C1	REAL300002449121	0	43	-2.0	-120.87	353.05	7.58	-113.29
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(C)C(C)C(=O)[O-])=N1	REAL300002449143	0	37	-2.0	-117.18	320.46	6.76	-110.42
CC(C(=O)[O-])N(C)C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300002449146	0	34	-2.0	-118.51	298.91	5.79	-112.72
CC(C(=O)[O-])N(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300002449162	0	34	-2.0	-84.80	315.56	3.17	-81.63
CC(C(=O)[O-])N(C)C(=O)C1=CN=C(I)C([O-])=C1	REAL300002449179	0	26	-2.0	-90.92	254.11	2.98	-87.94
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N(C)C(C)C(=O)[O-])=N2)=C1	REAL300002449199	0	37	-2.0	-125.52	317.25	6.37	-119.15
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(C)C(C)C(=O)[O-])=N1	REAL300002449200	0	40	-2.0	-124.18	331.59	7.24	-116.94
CC1=C(CC(=O)N(C)C(C)C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002449208	1	40	-2.0	-105.93	338.91	4.59	-101.34
CCOC1=CC(C(=O)N(C)C(C)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300002449249	1	34	-2.0	-95.69	299.96	5.33	-90.36
CC(C(=O)[O-])N(C)C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300002449252	0	37	-2.0	-124.08	326.94	6.50	-117.58
COC1=CC=C(N2C=C([O-])C(C(=O)N(C)C(C)C(=O)[O-])=N2)C=C1	REAL300002449257	0	38	-2.0	-120.65	322.33	4.97	-115.68
CCC(CC)(NC(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O)C(=O)[O-]	REAL300002449894	1	53	-2.0	-119.44	404.10	6.85	-112.59
CCC(CC)(NC(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1)C(=O)[O-]	REAL300002450423	1	45	-2.0	-116.80	368.07	9.87	-106.93
CCC(CC)(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300002450569	1	47	-2.0	-109.76	385.11	6.95	-102.81
CCC(CC)(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300002450570	1	47	-2.0	-117.85	385.58	6.91	-110.94
CCC(CC)(NC(=O)C1=CC=C([N-]S(=O)(=O)C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300002450581	0	43	-2.0	-94.21	366.54	5.13	-89.08
CCC(CC)(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300002450764	0	44	-2.0	-113.59	377.32	5.91	-107.68
CCC(CC)(NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300002450782	1	46	-2.0	-98.70	372.05	3.18	-95.52
CCC(CC)(NC(=O)C1=CC=C(S(=O)(=O)[N-]C)O1)C(=O)[O-]	REAL300002450783	1	37	-2.0	-96.91	316.98	0.77	-96.14
CCC(CC)(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C(=O)[O-]	REAL300002451008	0	44	-2.0	-116.14	377.23	5.94	-110.20
CCC(CC)(NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1)C(=O)[O-]	REAL300002451260	1	44	-2.0	-116.18	359.05	5.08	-111.10
CCC(CC)(NC(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O)C(=O)[O-]	REAL300002451436	1	46	-2.0	-120.43	369.90	5.30	-115.13
CCC(CC)(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300002451566	1	47	-2.0	-103.72	385.56	6.90	-96.82
CCC(CC)(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300002452100	1	36	-2.0	-125.18	300.99	7.04	-118.14
CCC(CC)(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300002452168	0	39	-2.0	-106.18	325.88	3.07	-103.11
CCC(CC)(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300002452214	1	46	-2.0	-99.72	380.60	5.13	-94.59
CCC(CC)(NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-])C(=O)[O-]	REAL300002452228	0	49	-2.0	-139.12	385.21	8.16	-130.96
CCC(CC)(NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])C(=O)[O-]	REAL300002452229	0	49	-2.0	-137.76	385.42	8.13	-129.63
CCC(CC)(NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-])C(=O)[O-]	REAL300002452275	0	43	-2.0	-134.11	352.96	7.21	-126.90
CCC(CC)(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300002452279	0	40	-2.0	-135.43	331.64	6.26	-129.17
CCC(CC)(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(=O)[O-]	REAL300002452295	1	38	-2.0	-139.33	304.51	6.69	-132.64
CCC(CC)(NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300002452311	0	40	-2.0	-101.48	347.12	4.34	-97.14
CCC(CC)(NC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300002452343	0	32	-2.0	-105.04	286.36	4.06	-100.98
CCC(CC)(NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-])C(=O)[O-]	REAL300002452376	0	43	-2.0	-142.70	350.00	6.85	-135.85
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CC)(CC)C(=O)[O-])=N1	REAL300002452377	0	46	-2.0	-141.20	366.19	7.97	-133.23
CCC(CC)(NC(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O)C(=O)[O-]	REAL300002452405	1	46	-2.0	-132.21	368.88	5.28	-126.93
CCC(CC)(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300002452432	0	33	-2.0	-100.25	286.36	5.53	-94.72
CCOC1=CC(C(=O)NC(CC)(CC)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300002452492	1	40	-2.0	-105.63	331.51	6.49	-99.14
CCC(CC)(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300002452495	0	43	-2.0	-142.11	354.84	7.67	-134.44
CCC(CC)(NC(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-])C(=O)[O-]	REAL300002452499	0	44	-2.0	-137.34	354.42	5.54	-131.80
CCC(CC)(NC(=O)C1=COC(S(=O)(=O)[N-]C)=C1)C(=O)[O-]	REAL300002452509	1	37	-2.0	-107.82	316.14	0.76	-107.06
CCC(CC)(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300002452604	0	36	-2.0	-92.46	300.20	3.60	-88.86
CCC(CC)(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300002452604	1	36	-2.0	-92.40	300.27	3.61	-88.79
CCC(CC)(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(=O)[O-]	REAL300002452807	1	41	-2.0	-110.98	319.24	4.98	-106.00
CCC(CC)(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300002452970	0	33	-2.0	-120.34	295.04	7.07	-113.27
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300002453896	0	47	-2.0	-107.21	391.41	6.34	-100.87
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300002454166	0	47	-2.0	-107.68	391.48	6.56	-101.12
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)O1	REAL300002454582	1	41	-2.0	-100.54	362.46	2.36	-98.18
CC(CNC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)(C(=O)[O-])C1=CC=CC=C1	REAL300002454819	0	44	-2.0	-106.27	370.02	5.67	-100.60
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=CS1	REAL300002455154	1	48	-2.0	-99.49	402.73	6.80	-92.69
CC(CNC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)(C(=O)[O-])C1=CC=CC=C1	REAL300002455370	0	44	-2.0	-100.98	376.42	5.73	-95.25
CC1=C(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300002455458	1	50	-2.0	-118.63	398.29	6.96	-111.67
CC(CNC(=O)C1=CC=C([O-])C(F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002456517	1	37	-2.0	-98.27	315.83	6.59	-91.68
CC(CNC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])(C(=O)[O-])C1=CC=CC=C1	REAL300002456530	1	40	-2.0	-106.92	350.07	8.94	-97.98
CC(CNC(=O)CCC1=N[N-]N=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300002456570	0	37	-2.0	-92.73	313.28	4.66	-88.07
CC(CNC(=O)CCC1=NN=N[N-]1)(C(=O)[O-])C1=CC=CC=C1	REAL300002456570	1	37	-2.0	-92.71	313.33	4.67	-88.04
CC(CNC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002456660	0	43	-2.0	-104.29	371.06	4.68	-99.61
CC(CNC(=O)C1=CN=C(C2CC2)[N-]C1=O)(C(=O)[O-])C1=CC=CC=C1	REAL300002456696	1	42	-2.0	-114.96	348.88	6.09	-108.87
CC(CNC(=O)C1=CN=CC([O-])=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002456740	1	36	-2.0	-98.20	308.58	4.52	-93.68
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300002456852	0	47	-2.0	-119.92	398.13	8.83	-111.09
CC(CNC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])(C(=O)[O-])C1=CC=CC=C1	REAL300002456857	0	44	-2.0	-120.13	380.72	7.70	-112.43
CC(CNC(=O)C1=C([O-])C2=CC=CC=C2C=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300002456903	1	42	-2.0	-125.01	349.97	8.76	-116.25
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC(C)(C(=O)[O-])C3=CC=CC=C3)=N2)=C1	REAL300002457070	0	47	-2.0	-127.95	395.15	8.45	-119.50
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300002457071	0	50	-2.0	-126.54	411.66	9.54	-117.00
CC(CNC(=O)C1=CC(F)=C([O-])C(Cl)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002457208	0	37	-2.0	-93.45	331.60	7.06	-86.39
COC1=C(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)NC(=O)[N-]C1=O	REAL300002457225	1	40	-2.0	-97.58	341.71	2.04	-95.54
CC(CNC(=O)CCCC1=N[N-]N=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300002457329	0	40	-2.0	-96.78	338.68	5.25	-91.53
CC(CNC(=O)CCCC1=NN=N[N-]1)(C(=O)[O-])C1=CC=CC=C1	REAL300002457329	1	40	-2.0	-96.78	338.74	5.26	-91.52
CC(CNC(=O)C1=CC=C([O-])C(Cl)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002457369	0	37	-2.0	-95.34	325.62	7.09	-88.25
CCOC1=CC(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=CC(Cl)=C1[O-]	REAL300002457373	1	44	-2.0	-100.83	380.59	7.93	-92.90
COC1=CC=C(N2C=C([O-])C(C(=O)NCC(C)(C(=O)[O-])C3=CC=CC=C3)=N2)C=C1	REAL300002457382	0	48	-2.0	-123.73	399.88	7.11	-116.62
C[N-]S(=O)(=O)C1=CC(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=CO1	REAL300002457406	1	41	-2.0	-94.22	361.60	2.33	-91.89
CC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300002457574	0	40	-2.0	-90.73	345.37	5.24	-85.49
CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300002457574	1	40	-2.0	-90.73	345.43	5.23	-85.50
CC(CNC(=O)C1=C[N-]N=CC1=O)(C(=O)[O-])C1=CC=CC=C1	REAL300002457873	0	35	-2.0	-102.13	296.88	5.14	-96.99
COCC1=NC=C(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C(=O)[N-]1	REAL300002457909	1	42	-2.0	-113.25	350.72	3.75	-109.50
CC(CNC(=O)C1=CN=C(C2CCC2)[N-]C1=O)(C(=O)[O-])C1=CC=CC=C1	REAL300002457959	1	45	-2.0	-116.59	368.54	6.46	-110.13
CC(CNC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])(C(=O)[O-])C1=CC=CC=C1	REAL300002458287	0	37	-2.0	-104.21	340.22	9.18	-95.03
CC1=C(CCC(=O)N2CCCC(C(=O)[O-])C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300002459127	1	51	-2.0	-103.95	401.26	7.27	-96.68
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300002459475	0	41	-2.0	-107.49	343.82	4.49	-103.00
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(C(=O)[O-])C1	REAL300002459785	0	41	-2.0	-104.15	343.43	4.72	-99.43
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300002459831	1	43	-2.0	-112.90	363.59	10.09	-102.81
O=C([O-])C1CCCN(C(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3)C=C2)C1	REAL300002460013	1	45	-2.0	-98.40	380.74	6.88	-91.52
O=C([O-])C1CCCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)C1	REAL300002460014	1	45	-2.0	-104.44	379.40	6.83	-97.61
CC1=CC(C(=O)N2CCCC(C(=O)[O-])C2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300002460027	0	41	-2.0	-83.90	360.64	5.01	-78.89
O=C([O-])C1CCCN(C(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CS3)C=C2)C1	REAL300002460259	0	42	-2.0	-100.77	372.65	5.88	-94.89
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC(C(=O)[O-])C2)O1	REAL300002460277	1	44	-2.0	-111.74	363.22	3.48	-108.26
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC(C(=O)[O-])C2)O1	REAL300002460278	1	35	-2.0	-110.26	309.61	0.95	-109.31
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300002460518	0	45	-2.0	-106.96	373.92	2.73	-104.23
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(C(=O)[O-])C1	REAL300002460564	0	38	-2.0	-103.03	322.46	3.84	-99.19
O=C([O-])C1CCCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CS3)=C2)C1	REAL300002460572	0	42	-2.0	-96.27	372.88	5.89	-90.38
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCCC(C(=O)[O-])C2)=CS1	REAL300002460924	1	42	-2.0	-108.45	354.44	5.45	-103.00
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCCC(C(=O)[O-])C1	REAL300002461132	0	38	-2.0	-98.48	328.21	3.89	-94.59
CC1=C(CC(=O)N2CCCC(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002461139	1	44	-2.0	-114.52	363.90	5.61	-108.91
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(C(=O)[O-])C1	REAL300002461144	0	44	-2.0	-104.69	364.92	5.51	-99.18
CC1=C(C(=O)N2CCCC(C(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300002461206	1	44	-2.0	-108.18	353.00	5.18	-103.00
O=C([O-])C1CCCN(C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3)C=C2)C1	REAL300002461305	1	45	-2.0	-94.68	380.87	6.88	-87.80
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)N1CCCC(C(=O)[O-])C1	REAL300002461854	0	44	-2.0	-111.55	367.97	6.08	-105.47
O=C([O-])C1CCCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300002462023	1	34	-2.0	-101.12	298.54	6.17	-94.95
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCCC(C(=O)[O-])C2)C=N1	REAL300002462110	0	37	-2.0	-95.07	321.61	2.96	-92.11
O=C([O-])C1CCCN(C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=NC=C3)C=C2)C1	REAL300002462171	1	44	-2.0	-91.51	375.89	5.10	-86.41
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCCC(C(=O)[O-])C3)=N2)=C1	REAL300002462186	0	47	-2.0	-119.47	377.49	8.62	-110.85
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCCC(C(=O)[O-])C3)=N2)C=C1	REAL300002462187	0	47	-2.0	-118.43	377.24	8.60	-109.83
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCCC(C(=O)[O-])C2)=N1	REAL300002462256	0	41	-2.0	-114.01	349.70	7.17	-106.84
O=C([O-])C1CCCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1	REAL300002462260	0	38	-2.0	-117.31	323.64	6.78	-110.53
O=C([O-])C1CCCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300002462281	1	36	-2.0	-121.11	297.21	7.84	-113.27
O=C([O-])C1CCCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)C1	REAL300002462299	0	38	-2.0	-89.82	340.94	4.26	-85.56
O=C([O-])C1CCCN(C(=O)C2=CN=C(I)C([O-])=C2)C1	REAL300002462337	0	30	-2.0	-91.82	280.46	3.93	-87.89
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCCC(C(=O)[O-])C3)=N2)=C1	REAL300002462386	0	41	-2.0	-123.01	341.80	7.33	-115.68
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCCC(C(=O)[O-])C2)=N1	REAL300002462387	0	44	-2.0	-118.22	362.88	7.91	-110.31
CC1=C(CC(=O)N2CCCC(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002462428	1	44	-2.0	-113.04	364.04	5.61	-107.43
O=C([O-])C1CCCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300002462460	0	31	-2.0	-96.43	282.56	5.51	-90.92
CCOC1=CC(C(=O)N2CCCC(C(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300002462544	1	38	-2.0	-94.40	326.83	6.45	-87.95
O=C([O-])C1CCCN(C(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])C1	REAL300002462548	0	41	-2.0	-120.84	352.34	7.55	-113.29
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCCC(C(=O)[O-])C3)=N2)C=C1	REAL300002462555	0	42	-2.0	-118.48	346.53	5.98	-112.50
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCCC(C(=O)[O-])C2)=CO1	REAL300002462572	1	35	-2.0	-96.98	308.89	0.77	-96.21
O=C([O-])C1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300002462692	0	34	-2.0	-85.00	292.64	4.32	-80.68
O=C([O-])C1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300002462692	1	34	-2.0	-84.93	292.71	4.32	-80.61
O=C([O-])C1CCCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300002462952	1	39	-2.0	-106.15	321.14	4.95	-101.20
O=C([O-])C1CCCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300002463155	0	31	-2.0	-98.00	291.75	6.33	-91.67
CC1=C(C(=O)N2CCCC(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300002463378	0	39	-2.0	-111.17	332.68	4.40	-106.77
CC1=C(CCC(=O)N2CCC[C@@H](C(=O)[O-])C2)C(=O)NC(N2CCOCC2)=N1	REAL300002463785	0	51	-2.0	-102.13	400.74	7.25	-94.88
CC1=C(CCC(=O)N2CCC[C@@H](C(=O)[O-])C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300002463785	1	51	-2.0	-102.13	400.74	7.25	-94.88
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300002464133	0	41	-2.0	-107.25	343.35	4.50	-102.75
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300002464443	0	41	-2.0	-107.18	344.44	4.76	-102.42
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300002464489	1	43	-2.0	-115.50	363.93	10.12	-105.38
O=C([O-])[C@@H]1CCCN(C(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3)C=C2)C1	REAL300002464671	1	45	-2.0	-98.09	380.81	6.89	-91.20
O=C([O-])[C@@H]1CCCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)C1	REAL300002464672	1	45	-2.0	-104.17	380.96	6.89	-97.28
CC1=CC(C(=O)N2CCC[C@@H](C(=O)[O-])C2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300002464685	0	41	-2.0	-87.35	361.60	5.04	-82.31
O=C([O-])[C@@H]1CCCN(C(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CS3)C=C2)C1	REAL300002464917	0	42	-2.0	-100.76	372.75	5.89	-94.87
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC[C@@H](C(=O)[O-])C2)O1	REAL300002464935	1	44	-2.0	-88.06	363.63	3.58	-84.48
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC[C@@H](C(=O)[O-])C2)O1	REAL300002464936	1	35	-2.0	-87.62	310.02	1.05	-86.57
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300002465176	0	45	-2.0	-113.38	379.17	2.74	-110.64
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300002465222	0	38	-2.0	-105.71	322.97	3.86	-101.85
O=C([O-])[C@@H]1CCCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CS3)=C2)C1	REAL300002465230	0	42	-2.0	-96.25	372.26	5.87	-90.38
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC[C@@H](C(=O)[O-])C2)=CS1	REAL300002465582	1	42	-2.0	-109.21	354.63	5.47	-103.74
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300002465790	0	38	-2.0	-99.48	328.38	3.89	-95.59
CC1=C(CC(=O)N2CCC[C@@H](C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002465797	1	44	-2.0	-114.76	364.58	5.64	-109.12
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300002465802	0	44	-2.0	-108.96	365.58	5.52	-103.44
CC1=C(C(=O)N2CCC[C@@H](C(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300002465864	1	44	-2.0	-107.99	354.91	5.28	-102.71
O=C([O-])[C@@H]1CCCN(C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3)C=C2)C1	REAL300002465963	1	45	-2.0	-94.88	380.95	6.88	-88.00
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300002466512	0	44	-2.0	-111.54	367.95	6.08	-105.46
O=C([O-])[C@@H]1CCCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300002466681	1	34	-2.0	-107.68	299.08	6.20	-101.48
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC[C@@H](C(=O)[O-])C2)C=N1	REAL300002466768	0	37	-2.0	-99.52	320.48	3.01	-96.51
O=C([O-])[C@@H]1CCCN(C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=NC=C3)C=C2)C1	REAL300002466829	1	44	-2.0	-91.44	375.96	5.11	-86.33
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC[C@@H](C(=O)[O-])C3)=N2)=C1	REAL300002466844	0	47	-2.0	-119.46	377.80	8.61	-110.85
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC[C@@H](C(=O)[O-])C3)=N2)C=C1	REAL300002466845	0	47	-2.0	-118.40	377.90	8.63	-109.77
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300002466914	0	41	-2.0	-115.75	346.75	7.76	-107.99
O=C([O-])[C@@H]1CCCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1	REAL300002466918	0	38	-2.0	-117.22	323.61	6.77	-110.45
O=C([O-])[C@@H]1CCCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300002466939	1	36	-2.0	-120.78	300.10	7.31	-113.47
O=C([O-])[C@@H]1CCCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)C1	REAL300002466957	0	38	-2.0	-83.59	341.86	4.30	-79.29
O=C([O-])[C@@H]1CCCN(C(=O)C2=CN=C(I)C([O-])=C2)C1	REAL300002466995	0	30	-2.0	-86.43	281.61	4.06	-82.37
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC[C@@H](C(=O)[O-])C3)=N2)=C1	REAL300002467044	0	41	-2.0	-123.41	342.68	7.38	-116.03
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300002467045	0	44	-2.0	-118.06	363.58	7.95	-110.11
CC1=C(CC(=O)N2CCC[C@@H](C(=O)[O-])C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002467086	1	44	-2.0	-113.40	364.76	5.62	-107.78
O=C([O-])[C@@H]1CCCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300002467118	0	31	-2.0	-89.95	282.72	5.51	-84.44
CCOC1=CC(C(=O)N2CCC[C@@H](C(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300002467202	1	38	-2.0	-94.25	327.57	6.49	-87.76
O=C([O-])[C@@H]1CCCN(C(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])C1	REAL300002467206	0	41	-2.0	-122.76	337.91	7.64	-115.12
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC[C@@H](C(=O)[O-])C3)=N2)C=C1	REAL300002467213	0	42	-2.0	-118.66	346.70	5.99	-112.67
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC[C@@H](C(=O)[O-])C2)=CO1	REAL300002467230	1	35	-2.0	-89.76	308.18	0.71	-89.05
O=C([O-])[C@@H]1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300002467350	0	34	-2.0	-85.07	292.20	4.35	-80.72
O=C([O-])[C@@H]1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300002467350	1	34	-2.0	-85.04	292.26	4.37	-80.67
O=C([O-])[C@@H]1CCCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300002467610	1	39	-2.0	-103.75	321.10	4.86	-98.89
O=C([O-])[C@@H]1CCCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300002467813	0	31	-2.0	-103.55	293.12	6.31	-97.24
CC1=C(C(=O)N2CCC[C@@H](C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300002468036	0	39	-2.0	-110.06	334.50	4.30	-105.76
C=CCCC(NC(=O)CCC1=C(C)N=C(N2CCOCC2)NC1=O)C(=O)[O-]	REAL300002468546	0	51	-2.0	-105.28	417.33	6.78	-98.50
C=CCCC(NC(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O)C(=O)[O-]	REAL300002468546	1	51	-2.0	-105.28	417.33	6.78	-98.50
C=CCCC(NC(=O)C1=CC(C)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300002468894	0	41	-2.0	-115.42	358.90	4.60	-110.82
C=CCCC(NC(=O)C1=CC=CC=C1[N-]S(=O)(=O)CC)C(=O)[O-]	REAL300002469204	0	41	-2.0	-116.50	358.98	4.82	-111.68
C=CCCC(NC(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1)C(=O)[O-]	REAL300002469250	1	43	-2.0	-126.46	381.80	9.69	-116.77
C=CCCC(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300002469432	1	45	-2.0	-106.56	398.90	6.76	-99.80
C=CCCC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300002469433	1	45	-2.0	-111.71	399.08	6.76	-104.95
C=CCCC(NC(=O)C1=CC=C([N-]S(=O)(=O)C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300002469446	0	41	-2.0	-90.77	380.08	5.02	-85.75
C=CCCC(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300002469678	0	42	-2.0	-108.03	389.99	5.82	-102.21
C=CCCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300002469696	1	44	-2.0	-96.67	385.41	3.01	-93.66
C=CCCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C)O1)C(=O)[O-]	REAL300002469697	1	35	-2.0	-96.02	330.79	0.56	-95.46
C=CCCC(NC(=O)C1=CC(NC(C)=O)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300002469937	0	45	-2.0	-120.58	394.41	2.76	-117.82
C=CCCC(NC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300002469983	0	38	-2.0	-114.70	337.51	3.92	-110.78
C=CCCC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C(=O)[O-]	REAL300002469991	0	42	-2.0	-109.71	390.77	5.84	-103.87
C=CCCC(NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1)C(=O)[O-]	REAL300002470343	1	42	-2.0	-110.22	371.70	5.01	-105.21
C=CCCC(NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300002470551	0	38	-2.0	-107.20	343.92	3.98	-103.22
C=CCCC(NC(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O)C(=O)[O-]	REAL300002470558	1	44	-2.0	-115.60	383.39	5.16	-110.44
C=CCCC(NC(=O)C1=CC=CC=C1[N-]S(=O)(=O)CCC)C(=O)[O-]	REAL300002470563	0	44	-2.0	-117.13	380.48	5.61	-111.52
C=CCCC(NC(=O)C1=C(C)N=C(C(C)(C)C)[N-]C1=O)C(=O)[O-]	REAL300002470625	1	44	-2.0	-111.23	362.51	5.36	-105.87
C=CCCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300002470724	1	45	-2.0	-99.55	398.23	6.79	-92.76
C=CCCC(NC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300002471273	0	44	-2.0	-119.49	383.99	6.19	-113.30
C=CCCC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300002471442	1	34	-2.0	-117.34	313.66	7.38	-109.96
C=CCCC(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300002471529	0	37	-2.0	-103.06	338.56	2.95	-100.11
C=CCCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300002471590	1	44	-2.0	-95.84	394.10	4.98	-90.86
C=CCCC(NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-])C(=O)[O-]	REAL300002471605	0	47	-2.0	-131.81	398.99	7.93	-123.88
C=CCCC(NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])C(=O)[O-]	REAL300002471606	0	47	-2.0	-130.40	398.09	7.98	-122.42
C=CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-])C(=O)[O-]	REAL300002471675	0	41	-2.0	-126.78	366.46	7.03	-119.75
C=CCCC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300002471679	0	38	-2.0	-127.57	345.14	6.08	-121.49
C=CCCC(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(=O)[O-]	REAL300002471700	1	36	-2.0	-132.61	318.06	7.02	-125.59
C=CCCC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300002471718	0	38	-2.0	-95.45	360.62	4.18	-91.27
C=CCCC(NC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300002471756	0	30	-2.0	-98.95	299.02	3.96	-94.99
C=CCCC(NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-])C(=O)[O-]	REAL300002471805	0	41	-2.0	-134.78	363.24	6.74	-128.04
C=CCCC(NC(=O)C1=NN(C2=CC=CC=C2CC)C=C1[O-])C(=O)[O-]	REAL300002471806	0	44	-2.0	-133.45	380.00	7.75	-125.70
C=CCCC(NC(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O)C(=O)[O-]	REAL300002471847	1	44	-2.0	-113.44	382.67	5.11	-108.33
C=CCCC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300002471879	0	31	-2.0	-96.22	300.16	5.37	-90.85
C=CCCC(NC(=O)C1=CC(Cl)=C([O-])C(OCC)=C1)C(=O)[O-]	REAL300002471963	1	38	-2.0	-101.51	345.00	6.35	-95.16
C=CCCC(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300002471967	0	41	-2.0	-135.86	368.39	7.53	-128.33
C=CCCC(NC(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-])C(=O)[O-]	REAL300002471974	0	42	-2.0	-130.08	367.38	5.37	-124.71
C=CCCC(NC(=O)C1=COC(S(=O)(=O)[N-]C)=C1)C(=O)[O-]	REAL300002471991	1	35	-2.0	-102.17	329.09	0.58	-101.59
C=CCCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300002472111	0	34	-2.0	-90.08	313.70	3.43	-86.65
C=CCCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300002472111	1	34	-2.0	-90.06	313.77	3.45	-86.61
C=CCCC(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(=O)[O-]	REAL300002472371	1	39	-2.0	-110.20	333.04	4.85	-105.35
C=CCCC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300002472574	0	31	-2.0	-113.20	307.71	7.42	-105.78
C=CCCC(NC(=O)C1=C(C)N=C(C2=CC=CO2)[N-]C1=O)C(=O)[O-]	REAL300002472797	0	39	-2.0	-114.04	342.74	4.44	-109.60
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC(C(=O)[O-])C2=CC=CS2)C=C1	REAL300002473803	1	40	-2.0	-115.66	375.41	9.60	-106.06
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=CS2)O1	REAL300002474164	1	41	-2.0	-101.05	379.72	2.80	-98.25
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=CS2)O1	REAL300002474165	1	32	-2.0	-99.48	324.27	0.39	-99.09
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(C(=O)[O-])C2=CC=CS2)=CS1	REAL300002474652	1	39	-2.0	-113.03	365.97	4.80	-108.23
CC1=C(CC(=O)NC(C(=O)[O-])C2=CC=CS2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002474850	1	41	-2.0	-118.12	375.32	5.00	-113.12
O=C([O-])C(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1=CC=CS1	REAL300002475730	1	31	-2.0	-120.35	307.95	7.16	-113.19
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=CS2)C=N1	REAL300002475815	0	34	-2.0	-106.58	332.87	2.74	-103.84
O=C([O-])C(NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C1=CC=CS1	REAL300002475836	1	33	-2.0	-115.69	310.12	4.27	-111.42
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3=CC=CS3)=N2)=C1	REAL300002475888	0	44	-2.0	-136.72	392.22	7.84	-128.88
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3=CC=CS3)=N2)C=C1	REAL300002475889	0	44	-2.0	-134.94	392.17	7.84	-127.10
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(C(=O)[O-])C2=CC=CS2)=N1	REAL300002475951	0	38	-2.0	-131.10	359.92	6.87	-124.23
O=C([O-])C(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1=CC=CS1	REAL300002475956	0	35	-2.0	-131.98	338.37	5.99	-125.99
O=C([O-])C(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=CC=CS1	REAL300002475980	1	33	-2.0	-137.69	311.15	6.84	-130.85
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3=CC=CS3)=N2)=C1	REAL300002476106	0	38	-2.0	-139.21	356.96	6.49	-132.72
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(C(=O)[O-])C2=CC=CS2)=N1	REAL300002476107	0	41	-2.0	-137.41	366.48	7.64	-129.77
CC1=C(CC(=O)NC(C(=O)[O-])C2=CC=CS2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002476157	1	41	-2.0	-116.16	375.50	5.00	-111.16
O=C([O-])C(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=CC=CS1	REAL300002476201	0	28	-2.0	-98.79	293.62	5.19	-93.60
COC1=C(C(=O)NC(C(=O)[O-])C2=CC=CS2)NC(=O)[N-]C1=O	REAL300002476208	1	31	-2.0	-99.60	299.59	0.32	-99.28
O=C([O-])C(NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=CC=CS1	REAL300002476301	0	28	-2.0	-100.01	287.41	5.14	-94.87
CCOC1=CC(C(=O)NC(C(=O)[O-])C2=CC=CS2)=CC(Cl)=C1[O-]	REAL300002476304	1	35	-2.0	-104.46	338.22	6.24	-98.22
COC1=CC=C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3=CC=CS3)=N2)C=C1	REAL300002476312	0	39	-2.0	-134.44	361.68	5.14	-129.30
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C(=O)[O-])C2=CC=CS2)=CO1	REAL300002476326	1	32	-2.0	-103.55	323.38	0.36	-103.19
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CS1	REAL300002476453	0	31	-2.0	-93.31	306.94	3.35	-89.96
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CS1	REAL300002476453	1	31	-2.0	-93.28	307.01	3.35	-89.93
COCC1=NC=C(C(=O)NC(C(=O)[O-])C2=CC=CS2)C(=O)[N-]1	REAL300002476699	1	33	-2.0	-114.09	312.22	1.86	-112.23
O=C([O-])C(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1=CC=CS1	REAL300002476736	1	36	-2.0	-115.34	326.38	4.68	-110.66
O=C([O-])C(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=CC=CS1	REAL300002476963	0	28	-2.0	-116.67	302.03	7.19	-109.48
CC1=C(CCC(=O)NCCOCC(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300002477640	1	48	-2.0	-108.25	397.29	4.23	-104.02
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCCOCC(=O)[O-])=C1	REAL300002477961	0	38	-2.0	-103.32	339.45	2.05	-101.27
O=C([O-])COCCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1	REAL300002478213	1	42	-2.0	-98.14	385.23	4.30	-93.84
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCOCC(=O)[O-]	REAL300002478254	0	38	-2.0	-104.29	339.52	2.27	-102.02
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCCOCC(=O)[O-])C=C1	REAL300002478295	1	40	-2.0	-114.98	361.51	7.18	-107.80
O=C([O-])COCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300002478344	1	42	-2.0	-98.47	385.01	4.33	-94.14
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCCOCC(=O)[O-])C=C1	REAL300002478346	1	45	-2.0	-98.75	398.68	5.02	-93.73
O=C([O-])COCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300002478464	1	42	-2.0	-105.44	378.61	4.26	-101.18
O=C([O-])COCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300002478465	1	42	-2.0	-105.28	378.79	4.26	-101.02
CC1=CC(C(=O)NCCOCC(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300002478478	0	38	-2.0	-89.42	360.04	2.44	-86.98
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCCOCC(=O)[O-])C=C2)C=C1	REAL300002478606	1	45	-2.0	-99.73	400.18	4.93	-94.80
O=C([O-])COCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300002478690	0	39	-2.0	-101.89	370.54	3.26	-98.63
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCCOCC(=O)[O-])O1	REAL300002478707	1	41	-2.0	-100.41	364.12	0.60	-99.81
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCCOCC(=O)[O-])O1	REAL300002478708	1	32	-2.0	-99.92	310.50	-1.93	-101.85
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NCCOCC(=O)[O-])=C2)C=C1	REAL300002478825	1	45	-2.0	-104.93	400.20	4.91	-100.02
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)NCCOCC(=O)[O-])=C2)=C1	REAL300002478865	1	45	-2.0	-105.46	400.20	4.92	-100.54
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCCOCC(=O)[O-])=C1	REAL300002478936	0	42	-2.0	-109.05	374.16	0.28	-108.77
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCOCC(=O)[O-]	REAL300002478985	0	35	-2.0	-102.83	318.06	1.37	-101.46
O=C([O-])COCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300002478992	0	39	-2.0	-103.53	370.72	3.27	-100.26
O=C([O-])COCCNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300002478993	0	42	-2.0	-105.81	395.37	3.93	-101.88
CC(C)C(=O)[N-]C1=NC(CC(=O)NCCOCC(=O)[O-])=CS1	REAL300002479311	1	39	-2.0	-100.13	352.26	2.47	-97.66
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCCOCC(=O)[O-]	REAL300002479492	0	35	-2.0	-98.02	324.47	1.44	-96.58
CC1=C(CC(=O)NCCOCC(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002479500	1	41	-2.0	-105.14	363.10	2.67	-102.47
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCOCC(=O)[O-]	REAL300002479505	0	41	-2.0	-104.70	361.02	3.06	-101.64
CC1=C(C(=O)NCCOCC(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300002479558	1	41	-2.0	-106.96	342.14	2.86	-104.10
O=C([O-])COCCNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300002479663	1	42	-2.0	-98.95	378.77	4.26	-94.69
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NCCOCC(=O)[O-]	REAL300002480103	0	41	-2.0	-107.25	363.94	3.63	-103.62
O=C([O-])COCCNC(=O)C1=CC(Br)=C([O-])C(Br)=C1	REAL300002480187	0	28	-2.0	-90.77	298.44	3.58	-87.19
O=C([O-])COCCNC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300002480240	1	31	-2.0	-102.81	294.21	4.85	-97.96
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCCOCC(=O)[O-])C=N1	REAL300002480317	0	34	-2.0	-102.59	319.11	0.40	-102.19
O=C([O-])COCCNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300002480373	1	41	-2.0	-95.06	373.81	2.48	-92.58
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCCOCC(=O)[O-])=N2)=C1	REAL300002480388	0	44	-2.0	-119.10	378.71	5.45	-113.65
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCCOCC(=O)[O-])=N2)C=C1	REAL300002480389	0	44	-2.0	-117.22	378.63	5.45	-111.77
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCCOCC(=O)[O-])=N1	REAL300002480447	0	38	-2.0	-112.96	346.17	4.55	-108.41
O=C([O-])COCCNC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300002480450	0	35	-2.0	-113.93	324.85	3.60	-110.33
O=C([O-])COCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300002480478	0	35	-2.0	-89.15	340.33	1.70	-87.45
O=C([O-])COCCNC(=O)C1=CN=C(I)C([O-])=C1	REAL300002480510	0	27	-2.0	-93.80	279.57	1.42	-92.38
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCCOCC(=O)[O-])=N2)=C1	REAL300002480550	0	38	-2.0	-120.99	343.19	4.18	-116.81
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCCOCC(=O)[O-])=N1	REAL300002480551	0	41	-2.0	-119.70	359.70	5.26	-114.44
CC1=C(CC(=O)NCCOCC(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002480577	1	41	-2.0	-103.37	362.37	2.62	-100.75
CCOC1=CC(C(=O)NCCOCC(=O)[O-])=CC(Cl)=C1[O-]	REAL300002480652	1	35	-2.0	-99.19	324.72	3.83	-95.36
O=C([O-])COCCNC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300002480656	0	38	-2.0	-122.98	348.34	4.97	-118.01
COC1=CC=C(N2C=C([O-])C(C(=O)NCCOCC(=O)[O-])=N2)C=C1	REAL300002480662	0	39	-2.0	-117.14	347.92	2.83	-114.31
C[N-]S(=O)(=O)C1=CC(C(=O)NCCOCC(=O)[O-])=CO1	REAL300002480677	1	32	-2.0	-97.17	309.64	-1.95	-99.12
O=C([O-])COCCNC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300002481156	0	28	-2.0	-99.95	288.27	4.89	-95.06
CC1=C(C(=O)NCCOCC(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300002481337	0	36	-2.0	-109.92	322.37	1.95	-107.97
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC(C(=O)[O-])(C(C)C)C2)=C1	REAL300002483668	0	47	-2.0	-100.50	372.36	5.12	-95.38
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])(C(C)C)C1	REAL300002483968	0	47	-2.0	-101.33	372.46	5.35	-95.98
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCC(C(=O)[O-])(C(C)C)C2)C=C1	REAL300002484016	1	49	-2.0	-109.01	395.32	10.70	-98.31
CC(C)C1(C(=O)[O-])CCN(C(=O)C2=CC=C(S(=O)(=O)[N-]C(C)(C)C)O2)C1	REAL300002484445	1	50	-2.0	-100.92	397.04	4.12	-96.80
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(C)C)C2)O1	REAL300002484446	1	41	-2.0	-99.93	341.60	1.73	-98.20
CC(C)C1(C(=O)[O-])CCN(C(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)C1	REAL300002484711	0	44	-2.0	-99.99	350.98	4.45	-95.54
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC(C(=O)[O-])(C(C)C)C2)=CS1	REAL300002485062	1	48	-2.0	-103.56	388.15	6.11	-97.45
CC(C)C1(C(=O)[O-])CCN(C(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)C1	REAL300002485295	0	44	-2.0	-93.38	357.39	4.52	-88.86
CC1=C(CC(=O)N2CCC(C(=O)[O-])(C(C)C)C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002485298	1	50	-2.0	-109.90	395.64	6.18	-103.72
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])(C(C)C)C1	REAL300002485301	0	50	-2.0	-101.84	393.96	6.14	-95.70
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(C)C)C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300002485377	1	50	-2.0	-101.15	383.10	5.84	-95.31
CC(C)C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300002486391	1	40	-2.0	-100.87	327.09	7.38	-93.49
CC(C)C1(C(=O)[O-])CCN(C(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C1	REAL300002486497	0	43	-2.0	-108.64	349.41	3.86	-104.78
CC(C)C1(C(=O)[O-])CCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300002486530	1	42	-2.0	-102.82	336.35	5.05	-97.77
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC(C(=O)[O-])(C(C)C)C3)=N2)C=C1	REAL300002486588	0	53	-2.0	-132.14	411.49	9.33	-122.81
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC(C(=O)[O-])(C(C)C)C2)=N1	REAL300002486677	0	47	-2.0	-131.46	376.39	8.28	-123.18
CC(C)C1(C(=O)[O-])CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300002486710	1	42	-2.0	-112.54	325.82	9.02	-103.52
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC(C(=O)[O-])(C(C)C)C3)=N2)=C1	REAL300002486858	0	47	-2.0	-115.60	371.59	8.48	-107.12
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC(C(=O)[O-])(C(C)C)C2)=N1	REAL300002486859	0	50	-2.0	-138.89	391.47	9.00	-129.89
CC1=C(CC(=O)N2CCC(C(=O)[O-])(C(C)C)C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002486928	1	50	-2.0	-113.31	393.92	6.17	-107.14
CC(C)C1(C(=O)[O-])CCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300002486977	0	37	-2.0	-86.74	307.43	5.94	-80.80
CC(C)C1(C(=O)[O-])CCN(C(=O)C2=CC=C([O-])C(Cl)=C2)C1	REAL300002487110	0	37	-2.0	-103.36	306.90	6.02	-97.34
CCOC1=CC(C(=O)N2CCC(C(=O)[O-])(C(C)C)C2)=CC(Cl)=C1[O-]	REAL300002487113	1	44	-2.0	-91.03	352.28	6.91	-84.12
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC(C(=O)[O-])(C(C)C)C3)=N2)C=C1	REAL300002487124	0	48	-2.0	-131.84	380.78	6.71	-125.13
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(C(=O)[O-])(C(C)C)C2)=CO1	REAL300002487147	1	41	-2.0	-91.81	337.25	1.31	-90.50
CC(C)C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300002487300	0	40	-2.0	-81.86	323.37	4.93	-76.93
CC(C)C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300002487300	1	40	-2.0	-81.82	323.43	4.93	-76.89
COCC1=NC=C(C(=O)N2CCC(C(=O)[O-])(C(C)C)C2)C(=O)[N-]1	REAL300002487613	1	42	-2.0	-100.93	338.45	2.64	-98.29
CC(C)C1(C(=O)[O-])CCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300002487657	1	45	-2.0	-102.50	352.21	5.60	-96.90
CC(C)C1(C(=O)[O-])CCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300002487945	0	37	-2.0	-97.22	321.16	7.44	-89.78
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(C)C)C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300002488244	0	45	-2.0	-105.18	361.25	4.97	-100.21
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)=C1	REAL300002489090	0	44	-2.0	-103.16	387.30	5.66	-97.50
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300002489345	0	44	-2.0	-103.94	386.49	6.24	-97.70
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)O1	REAL300002489741	1	38	-2.0	-95.44	357.46	2.03	-93.41
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300002489971	0	41	-2.0	-102.46	365.02	5.34	-97.12
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)=CS1	REAL300002490290	1	45	-2.0	-102.50	400.89	6.37	-96.13
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300002490495	0	41	-2.0	-97.08	372.31	5.06	-92.02
CC1=C(C(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300002490584	1	47	-2.0	-111.01	389.99	6.47	-104.54
O=C([O-])C(CNC(=O)C1=CC=C([O-])C(F)=C1)C1=CC=C(F)C=C1	REAL300002491625	1	34	-2.0	-94.05	310.81	6.28	-87.77
O=C([O-])C(CNC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1=CC=C(F)C=C1	REAL300002491638	1	37	-2.0	-102.48	342.05	8.47	-94.01
O=C([O-])C(CNC(=O)CCC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL300002491679	0	34	-2.0	-89.51	309.17	3.99	-85.52
O=C([O-])C(CNC(=O)CCC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL300002491679	1	34	-2.0	-89.51	309.22	4.00	-85.51
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C=N1	REAL300002491766	0	40	-2.0	-99.94	366.94	4.02	-95.92
O=C([O-])C(CNC(=O)C1=CN=C(C2CC2)[N-]C1=O)C1=CC=C(F)C=C1	REAL300002491801	1	39	-2.0	-108.94	344.77	5.42	-103.52
O=C([O-])C(CNC(=O)C1=CN=CC([O-])=C1)C1=CC=C(F)C=C1	REAL300002491843	1	33	-2.0	-94.00	299.67	4.40	-89.60
O=C([O-])C(CNC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1=CC=C(F)C=C1	REAL300002491957	0	41	-2.0	-115.54	371.81	7.55	-107.99
O=C([O-])C(CNC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=CC=C(F)C=C1	REAL300002492003	1	39	-2.0	-119.88	344.97	8.44	-111.44
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)=N1	REAL300002492170	0	47	-2.0	-122.18	406.67	9.21	-112.97
O=C([O-])C(CNC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=CC=C(F)C=C1	REAL300002492305	0	34	-2.0	-90.32	326.84	6.83	-83.49
COC1=C(C(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)NC(=O)[N-]C1=O	REAL300002492323	1	37	-2.0	-92.49	332.99	1.92	-90.57
O=C([O-])C(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL300002492423	0	37	-2.0	-94.00	331.47	5.05	-88.95
O=C([O-])C(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL300002492423	1	37	-2.0	-93.99	331.53	5.06	-88.93
O=C([O-])C(CNC(=O)C1=CC=C([O-])C(Cl)=C1)C1=CC=C(F)C=C1	REAL300002492463	0	34	-2.0	-91.18	320.61	6.76	-84.42
CCOC1=CC(C(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)=CC(Cl)=C1[O-]	REAL300002492466	1	41	-2.0	-95.78	372.56	7.45	-88.33
COC1=CC=C(N2C=C([O-])C(C(=O)NCC(C(=O)[O-])C3=CC=C(F)C=C3)=N2)C=C1	REAL300002492475	0	45	-2.0	-118.96	394.88	6.79	-112.17
C[N-]S(=O)(=O)C1=CC(C(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)=CO1	REAL300002492499	1	38	-2.0	-91.96	357.48	1.66	-90.30
O=C([O-])C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=C(F)C=C1	REAL300002492667	0	37	-2.0	-87.11	341.25	4.56	-82.55
O=C([O-])C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=C(F)C=C1	REAL300002492667	1	37	-2.0	-87.14	341.32	4.56	-82.58
O=C([O-])C(CNC(=O)C1=C[N-]N=CC1=O)C1=CC=C(F)C=C1	REAL300002492960	0	32	-2.0	-96.49	292.77	4.47	-92.02
COCC1=NC=C(C(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C(=O)[N-]1	REAL300002492995	1	39	-2.0	-107.48	346.61	3.07	-104.41
O=C([O-])C(CNC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1=CC=C(F)C=C1	REAL300002493045	1	42	-2.0	-109.22	360.52	5.97	-103.25
O=C([O-])C(CNC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=CC=C(F)C=C1	REAL300002493365	0	34	-2.0	-99.95	336.11	8.50	-91.45
COCC1(C(=O)[O-])CCCN(C(=O)C2=CC(C)=CC=C2[N-]S(C)(=O)=O)C1	REAL300002494703	0	48	-2.0	-108.79	390.56	4.42	-104.37
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300002494985	0	48	-2.0	-110.09	390.94	4.66	-105.43
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC(COC)(C(=O)[O-])C2)O1	REAL300002495417	1	42	-2.0	-90.45	356.19	1.56	-88.89
COCC1(C(=O)[O-])CCCN(C(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)C1	REAL300002495667	0	45	-2.0	-108.13	370.79	3.76	-104.37
COCC1(C(=O)[O-])CCCN(C(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)C1	REAL300002496001	1	49	-2.0	-111.10	400.82	5.98	-105.12
COCC1(C(=O)[O-])CCCN(C(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)C1	REAL300002496225	0	45	-2.0	-99.95	375.32	4.58	-95.37
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300002496229	0	51	-2.0	-110.57	412.43	5.44	-105.13
COCC1(C(=O)[O-])CCCN(C(=O)C2=C(C)N=C(C(C)(C)C)[N-]C2=O)C1	REAL300002496311	1	51	-2.0	-110.29	399.69	5.43	-104.86
COCC1(C(=O)[O-])CCCN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300002497344	1	38	-2.0	-96.73	313.87	4.84	-91.89
COCC1(C(=O)[O-])CCCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300002497356	1	41	-2.0	-109.87	346.84	6.11	-103.76
COCC1(C(=O)[O-])CCCN(C(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C1	REAL300002497469	0	44	-2.0	-97.95	366.95	3.46	-94.49
COCC1(C(=O)[O-])CCCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300002497503	1	43	-2.0	-108.74	352.57	4.28	-104.46
COCC1(C(=O)[O-])CCCN(C(=O)C2=NN(C3=CC=C(F)C=C3C)C=C2[O-])C1	REAL300002497656	0	48	-2.0	-115.31	395.28	7.84	-107.47
COCC1(C(=O)[O-])CCCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1	REAL300002497661	0	45	-2.0	-120.70	371.11	6.67	-114.03
COCC1(C(=O)[O-])CCCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300002497702	1	43	-2.0	-124.32	344.50	7.73	-116.59
COCC1(C(=O)[O-])CCCN(C(=O)C2=NN(C3=CC(C)=CC=C3F)C=C2[O-])C1	REAL300002497867	0	48	-2.0	-126.79	389.48	7.25	-119.54
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCCC(COC)(C(=O)[O-])C2)=N1	REAL300002497868	0	51	-2.0	-120.31	408.91	8.48	-111.83
COCC1(C(=O)[O-])CCCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300002498005	0	38	-2.0	-94.09	328.18	5.36	-88.73
COCC1(C(=O)[O-])CCCN(C(=O)C2=C(OC)C(=O)[N-]C(=O)N2)C1	REAL300002498022	1	41	-2.0	-94.38	341.52	-0.70	-95.08
COCC1(C(=O)[O-])CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300002498121	0	41	-2.0	-104.74	331.09	4.62	-100.12
COCC1(C(=O)[O-])CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300002498121	1	41	-2.0	-104.72	331.14	4.64	-100.08
COCC1(C(=O)[O-])CCCN(C(=O)C2=CC=C([O-])C(Cl)=C2)C1	REAL300002498159	0	38	-2.0	-94.28	323.66	5.32	-88.96
CCOC1=CC(C(=O)N2CCCC(COC)(C(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300002498163	1	45	-2.0	-98.05	372.88	6.29	-91.76
COCC1(C(=O)[O-])CCCN(C(=O)C2=NN(C3=CC=C(OC)C=C3)C=C2[O-])C1	REAL300002498173	0	49	-2.0	-122.13	394.21	5.91	-116.22
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCCC(COC)(C(=O)[O-])C2)=CO1	REAL300002498196	1	42	-2.0	-100.32	356.40	0.69	-99.63
COCC1(C(=O)[O-])CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300002498359	0	41	-2.0	-88.83	339.68	4.26	-84.57
COCC1(C(=O)[O-])CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300002498359	1	41	-2.0	-88.81	339.74	4.26	-84.55
COCC1=NC=C(C(=O)N2CCCC(COC)(C(=O)[O-])C2)C(=O)[N-]1	REAL300002498689	1	43	-2.0	-113.02	349.21	1.73	-111.29
COCC1(C(=O)[O-])CCCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300002498738	1	46	-2.0	-108.41	368.43	4.83	-103.58
COCC1(C(=O)[O-])CCCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300002499057	0	38	-2.0	-106.11	339.30	6.58	-99.53
CC1=C(CCC(=O)N2CCCC2C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300002500243	1	48	-2.0	-122.21	383.64	6.89	-115.32
O=C([O-])C1CCCN1C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1	REAL300002500650	1	42	-2.0	-101.94	362.98	6.26	-95.68
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCCC2C(=O)[O-])C=C1	REAL300002500710	1	40	-2.0	-138.10	348.20	9.81	-128.29
O=C([O-])C1CCCN1C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300002500755	1	42	-2.0	-106.53	367.34	6.75	-99.78
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC2C(=O)[O-])C=C1	REAL300002500757	1	45	-2.0	-105.65	380.98	7.43	-98.22
O=C([O-])C1CCCN1C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300002500845	1	42	-2.0	-116.58	360.94	6.68	-109.90
O=C([O-])C1CCCN1C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300002500846	1	42	-2.0	-117.61	356.52	6.20	-111.41
CC1=CC(C(=O)N2CCCC2C(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300002500855	0	38	-2.0	-100.05	343.27	4.51	-95.54
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N3CCCC3C(=O)[O-])C=C2)C=C1	REAL300002500949	1	45	-2.0	-106.21	382.49	7.35	-98.86
O=C([O-])C1CCCN1C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300002501015	0	39	-2.0	-111.15	352.85	5.68	-105.47
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC2C(=O)[O-])O1	REAL300002501032	1	41	-2.0	-100.84	348.53	3.27	-97.57
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC2C(=O)[O-])O1	REAL300002501033	1	32	-2.0	-99.41	293.76	0.83	-98.58
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N3CCCC3C(=O)[O-])=C2)C=C1	REAL300002501125	1	45	-2.0	-109.79	377.95	6.88	-102.91
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)N3CCCC3C(=O)[O-])=C2)=C1	REAL300002501150	1	45	-2.0	-110.31	377.96	6.88	-103.43
O=C([O-])C1CCCN1C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300002501239	0	39	-2.0	-115.36	348.45	5.20	-110.16
O=C([O-])C1CCCN1C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300002501240	0	42	-2.0	-122.70	381.72	6.59	-116.11
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCCC2C(=O)[O-])=CS1	REAL300002501454	1	39	-2.0	-120.19	338.59	5.14	-115.05
CC1=C(CC(=O)N2CCCC2C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002501599	1	41	-2.0	-124.75	348.54	5.29	-119.46
O=C([O-])C1CCCN1C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300002501727	1	42	-2.0	-105.51	361.06	6.67	-98.84
O=C([O-])C1CCCN1C(=O)C1=CC(Br)=C([O-])C(Br)=C1	REAL300002502103	0	28	-2.0	-100.33	281.67	5.65	-94.68
O=C([O-])C1CCCN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300002502139	1	31	-2.0	-114.73	271.95	6.79	-107.94
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCCC2C(=O)[O-])C=N1	REAL300002502195	0	34	-2.0	-109.49	301.41	2.76	-106.73
O=C([O-])C1CCCN1C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300002502235	1	41	-2.0	-102.15	356.11	4.90	-97.25
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCCC3C(=O)[O-])=N2)=C1	REAL300002502249	0	44	-2.0	-142.64	361.92	8.55	-134.09
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCCC3C(=O)[O-])=N2)C=C1	REAL300002502250	0	44	-2.0	-141.54	361.82	8.55	-132.99
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCCC2C(=O)[O-])=N1	REAL300002502286	0	38	-2.0	-137.91	329.37	7.66	-130.25
O=C([O-])C1CCCN1C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300002502289	0	35	-2.0	-139.58	308.07	6.70	-132.88
O=C([O-])C1CCCN1C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300002502310	0	35	-2.0	-97.72	318.06	3.63	-94.09
O=C([O-])C1CCCN1C(=O)C1=CN=C(I)C([O-])=C1	REAL300002502336	0	27	-2.0	-106.85	257.35	3.26	-103.59
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCCC3C(=O)[O-])=N2)=C1	REAL300002502358	0	38	-2.0	-146.72	326.41	7.28	-139.44
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCCC2C(=O)[O-])=N1	REAL300002502359	0	41	-2.0	-144.42	342.68	8.55	-135.87
CC1=C(CC(=O)N2CCCC2C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002502372	1	41	-2.0	-122.64	348.71	5.28	-117.36
CCOC1=CC(C(=O)N2CCCC2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300002502422	1	35	-2.0	-108.18	307.07	6.24	-101.94
O=C([O-])C1CCCN1C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300002502425	0	38	-2.0	-147.82	332.81	8.10	-139.72
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCCC3C(=O)[O-])=N2)C=C1	REAL300002502428	0	39	-2.0	-141.16	331.13	5.94	-135.22
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCCC2C(=O)[O-])=CO1	REAL300002502437	1	32	-2.0	-101.33	290.55	0.47	-100.86
O=C([O-])C1CCCN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300002502770	0	28	-2.0	-119.22	275.00	6.73	-112.49
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC(N3C=C(C(=O)[O-])N=N3)=C2)O1	REAL300002503921	1	38	-2.0	-97.74	364.94	0.60	-97.14
CC1=C(C(=O)NC2=CC=CC(N3C=C(C(=O)[O-])N=N3)=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300002504554	1	47	-2.0	-98.79	396.29	5.43	-93.36
COC1=CC=C(C(=O)NC2=CC=CC(N3C=C(C(=O)[O-])N=N3)=C2)C([O-])=C1	REAL300002504962	1	38	-2.0	-129.95	339.01	5.60	-124.35
O=C([O-])C1=CN(C2=CC(NC(=O)C3=CC=C([O-])C(F)=C3)=CC=C2)N=N1	REAL300002505460	1	34	-2.0	-104.70	318.26	4.84	-99.86
O=C([O-])C1=CN(C2=CC=CC(NC(=O)C3=CC=C(C(F)(F)F)C=C3[O-])=C2)N=N1	REAL300002505474	1	37	-2.0	-120.71	348.30	7.28	-113.43
O=C([O-])C1=CN(C2=CC(NC(=O)CCC3=NN=N[N-]3)=CC=C2)N=N1	REAL300002505535	0	34	-2.0	-103.30	315.81	2.93	-100.37
O=C([O-])C1=CN(C2=CC(NC(=O)CCC3=N[N-]N=N3)=CC=C2)N=N1	REAL300002505535	1	34	-2.0	-103.32	315.75	2.92	-100.40
O=C([O-])C1=CN(C2=CC=CC(NC(=O)C3=CN=C(C4CC4)[N-]C3=O)=C2)N=N1	REAL300002505630	1	39	-2.0	-94.34	351.24	4.35	-89.99
O=C([O-])C1=CN(C2=CC(NC(=O)C3=CN=CC([O-])=C3)=CC=C2)N=N1	REAL300002505658	1	33	-2.0	-111.55	307.10	2.95	-108.60
O=C([O-])C1=CN(C2=CC=CC(NC(=O)C3=C([O-])C4=CC=CC=C4C=N3)=C2)N=N1	REAL300002505798	0	39	-2.0	-127.78	352.47	6.93	-120.85
O=C([O-])C1=CN(C2=CC(NC(=O)C3=CC(F)=C([O-])C(Cl)=C3)=CC=C2)N=N1	REAL300002506072	0	34	-2.0	-103.56	334.33	5.40	-98.16
O=C([O-])C1=CN(C2=CC(NC(=O)CCCC3=NN=N[N-]3)=CC=C2)N=N1	REAL300002506182	0	37	-2.0	-115.81	336.98	3.72	-112.09
O=C([O-])C1=CN(C2=CC(NC(=O)CCCC3=N[N-]N=N3)=CC=C2)N=N1	REAL300002506182	1	37	-2.0	-115.82	336.93	3.70	-112.12
O=C([O-])C1=CN(C2=CC(NC(=O)C3=CC=C([O-])C(Cl)=C3)=CC=C2)N=N1	REAL300002506214	0	34	-2.0	-101.86	328.05	5.33	-96.53
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=CC(N3C=C(C(=O)[O-])N=N3)=C2)=CO1	REAL300002506245	1	38	-2.0	-113.85	364.11	0.60	-113.25
O=C([O-])C1=CN(C2=CC=CC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=C2)N=N1	REAL300002506387	0	37	-2.0	-95.61	347.93	3.51	-92.10
O=C([O-])C1=CN(C2=CC=CC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)=C2)N=N1	REAL300002506387	1	37	-2.0	-95.68	347.86	3.50	-92.18
O=C([O-])C1=CN(C2=CC=CC(NC(=O)C3=C[N-]N=CC3=O)=C2)N=N1	REAL300002506632	0	32	-2.0	-93.03	299.11	3.41	-89.62
COCC1=NC=C(C(=O)NC2=CC=CC(N3C=C(C(=O)[O-])N=N3)=C2)C(=O)[N-]1	REAL300002506664	1	39	-2.0	-93.58	353.08	2.00	-91.58
O=C([O-])C1=CN(C2=CC=CC(NC(=O)C3=CN=C(C4CCC4)[N-]C3=O)=C2)N=N1	REAL300002506705	1	42	-2.0	-94.28	366.99	4.90	-89.38
O=C([O-])C1=CN(C2=CC=CC(NC(=O)C3=CC(Cl)=CC(Cl)=C3[O-])=C2)N=N1	REAL300002506980	0	34	-2.0	-115.57	342.73	7.34	-108.23
COC1=CC=C(C(=O)NC2=CC=CC(N3N=CC(C(=O)[O-])=C3C)=C2)C([O-])=C1	REAL300002509051	1	42	-2.0	-128.26	358.61	7.37	-120.89
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C2=CC=C([O-])C(F)=C2)=C1	REAL300002509480	1	38	-2.0	-103.10	337.92	6.62	-96.48
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300002509551	0	38	-2.0	-89.67	335.31	4.69	-84.98
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300002509551	1	38	-2.0	-89.70	335.37	4.70	-85.00
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)=C1	REAL300002509628	1	43	-2.0	-93.40	370.84	6.12	-87.28
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C2=CN=CC([O-])=C2)=C1	REAL300002509647	1	37	-2.0	-109.70	326.71	4.73	-104.97
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)=C1	REAL300002509761	0	43	-2.0	-126.53	371.94	8.70	-117.83
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)=C1	REAL300002510007	0	38	-2.0	-100.94	353.88	7.16	-93.78
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300002510107	0	41	-2.0	-113.79	356.84	5.47	-108.32
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300002510107	1	41	-2.0	-113.77	356.90	5.48	-108.29
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C2=CC=C([O-])C(Cl)=C2)=C1	REAL300002510137	0	38	-2.0	-100.32	347.71	7.11	-93.21
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300002510274	0	41	-2.0	-93.70	367.17	5.27	-88.43
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300002510274	1	41	-2.0	-93.69	367.11	5.27	-88.42
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C2=C[N-]N=CC2=O)=C1	REAL300002510466	0	36	-2.0	-92.41	318.86	5.17	-87.24
COCC1=NC=C(C(=O)NC2=CC=CC(N3N=CC(C(=O)[O-])=C3C)=C2)C(=O)[N-]1	REAL300002510492	1	43	-2.0	-92.63	372.68	3.78	-88.85
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)=C1	REAL300002510529	1	46	-2.0	-93.31	386.60	6.68	-86.63
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])O1	REAL300002512297	1	41	-2.0	-94.96	363.54	4.18	-90.78
CC(C)C(=O)[N-]C1=NC(CC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])=CS1	REAL300002512749	1	48	-2.0	-104.35	407.66	8.37	-95.98
CN(C(=O)C1=CC=C([O-])C(F)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002513831	1	37	-2.0	-98.23	316.16	7.89	-90.34
CN(C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002513842	1	40	-2.0	-116.41	348.63	9.17	-107.24
CN(C(=O)CCC1=N[N-]N=N1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002513876	0	37	-2.0	-91.76	315.27	6.32	-85.44
CN(C(=O)CCC1=NN=N[N-]1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002513876	1	37	-2.0	-91.74	315.33	6.34	-85.40
CN(C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002513947	0	43	-2.0	-103.68	371.29	6.00	-97.68
CN(C(=O)C1=CN=C(C2CC2)[N-]C1=O)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002513972	1	42	-2.0	-116.70	357.53	7.23	-109.47
CN(C(=O)C1=CN=CC([O-])=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514009	1	36	-2.0	-94.33	304.49	5.90	-88.43
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300002514090	0	47	-2.0	-121.05	397.84	10.73	-110.32
CN(C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514095	0	44	-2.0	-120.32	378.36	9.81	-110.51
CN(C(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514126	1	42	-2.0	-124.55	351.03	11.06	-113.49
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N(C)C(CC3=CC=CC=C3)C(=O)[O-])=N2)=C1	REAL300002514264	0	47	-2.0	-128.16	394.28	10.28	-117.88
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300002514265	0	50	-2.0	-126.38	413.14	11.39	-114.99
CN(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514376	0	37	-2.0	-93.07	329.14	8.32	-84.75
COC1=C(C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])NC(=O)[N-]C1=O	REAL300002514387	1	40	-2.0	-94.32	345.63	2.31	-92.01
CN(C(=O)CCCC1=N[N-]N=N1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514467	0	40	-2.0	-99.06	336.77	7.10	-91.96
CN(C(=O)CCCC1=NN=N[N-]1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514467	1	40	-2.0	-99.07	336.82	7.12	-91.95
CN(C(=O)C1=CC=C([O-])C(Cl)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514499	0	37	-2.0	-95.10	325.53	8.27	-86.83
CCOC1=CC(C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300002514503	1	44	-2.0	-98.11	374.48	9.38	-88.73
COC1=CC=C(N2C=C([O-])C(C(=O)N(C)C(CC3=CC=CC=C3)C(=O)[O-])=N2)C=C1	REAL300002514509	0	48	-2.0	-123.66	399.01	8.94	-114.72
C[N-]S(=O)(=O)C1=CC(C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])=CO1	REAL300002514525	1	41	-2.0	-94.26	359.04	3.58	-90.68
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514665	0	40	-2.0	-88.58	346.29	7.60	-80.98
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514665	1	40	-2.0	-88.57	346.37	7.61	-80.96
CN(C(=O)C1=C[N-]N=CC1=O)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514903	0	35	-2.0	-94.08	305.12	6.32	-87.76
COCC1=NC=C(C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C(=O)[N-]1	REAL300002514927	1	42	-2.0	-114.63	359.37	4.88	-109.75
CN(C(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514970	1	45	-2.0	-117.47	373.80	7.88	-109.59
CN(C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002515217	0	37	-2.0	-103.67	339.39	10.35	-93.32
CC1=C(CCC(=O)NCC2(C(=O)[O-])CC2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300002515909	1	48	-2.0	-106.08	389.90	5.95	-100.13
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300002516223	0	38	-2.0	-103.19	332.09	3.74	-99.45
O=C([O-])C1(CNC(=O)C2=CC=CC(S(=O)(=O)[N-]C3=CC=C(F)C=C3)=C2)CC1	REAL300002516470	1	42	-2.0	-92.36	377.88	6.01	-86.35
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1(C(=O)[O-])CC1	REAL300002516513	0	38	-2.0	-103.42	332.15	3.97	-99.45
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300002516551	1	40	-2.0	-108.23	354.15	8.80	-99.43
O=C([O-])C1(CNC(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C=C3)C=C2)CC1	REAL300002516601	1	42	-2.0	-99.34	377.64	6.04	-93.30
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300002516603	1	45	-2.0	-95.00	391.34	6.73	-88.27
O=C([O-])C1(CNC(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3)C=C2)CC1	REAL300002516718	1	42	-2.0	-106.47	371.24	5.96	-100.51
O=C([O-])C1(CNC(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)CC1	REAL300002516719	1	42	-2.0	-102.48	375.37	5.57	-96.91
CC1=CC(C(=O)NCC2(C(=O)[O-])CC2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300002516730	0	38	-2.0	-89.25	352.67	4.15	-85.10
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC3(C(=O)[O-])CC3)C=C2)C=C1	REAL300002516850	1	45	-2.0	-95.70	392.83	6.64	-89.06
O=C([O-])C1(CNC(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CS3)C=C2)CC1	REAL300002516932	0	39	-2.0	-104.49	363.17	4.96	-99.53
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2(C(=O)[O-])CC2)O1	REAL300002516949	1	41	-2.0	-103.23	358.59	2.19	-101.04
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2(C(=O)[O-])CC2)O1	REAL300002516950	1	32	-2.0	-101.73	303.14	-0.22	-101.95
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NCC3(C(=O)[O-])CC3)=C2)C=C1	REAL300002517059	1	45	-2.0	-99.24	392.86	6.62	-92.62
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)NCC3(C(=O)[O-])CC3)=C2)=C1	REAL300002517096	1	45	-2.0	-99.72	392.84	6.63	-93.09
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300002517167	0	42	-2.0	-106.29	366.77	1.97	-104.32
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1(C(=O)[O-])CC1	REAL300002517215	0	35	-2.0	-102.12	310.70	3.07	-99.05
O=C([O-])C1(CNC(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CS3)=C2)CC1	REAL300002517224	0	39	-2.0	-100.39	363.36	4.98	-95.41
O=C([O-])C1(CNC(=O)CC2=CC=C([N-]S(=O)(=O)C3=CC=CS3)C=C2)CC1	REAL300002517225	0	42	-2.0	-103.21	388.01	5.65	-97.56
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC2(C(=O)[O-])CC2)=CS1	REAL300002517527	1	39	-2.0	-96.36	344.88	4.19	-92.17
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCC1(C(=O)[O-])CC1	REAL300002517700	0	35	-2.0	-97.73	317.10	3.13	-94.60
CC1=C(CC(=O)NCC2(C(=O)[O-])CC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002517709	1	41	-2.0	-104.34	354.46	4.24	-100.10
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1(C(=O)[O-])CC1	REAL300002517714	0	41	-2.0	-103.89	353.65	4.76	-99.13
CC1=C(C(=O)NCC2(C(=O)[O-])CC2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300002517764	1	41	-2.0	-117.23	335.50	4.59	-112.64
O=C([O-])C1(CNC(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3)C=C2)CC1	REAL300002517870	1	42	-2.0	-95.08	371.42	5.97	-89.11
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NCC1(C(=O)[O-])CC1	REAL300002518286	0	41	-2.0	-106.09	356.57	5.35	-100.74
O=C([O-])C1(CNC(=O)C2=CC(Br)=C([O-])C(Br)=C2)CC1	REAL300002518367	0	28	-2.0	-89.15	291.08	5.28	-83.87
O=C([O-])C1(CNC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CC1	REAL300002518420	1	31	-2.0	-101.56	286.83	6.55	-95.01
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC2(C(=O)[O-])CC2)C=N1	REAL300002518496	0	34	-2.0	-103.49	311.74	2.10	-101.39
O=C([O-])C1(CNC(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=NC=C3)C=C2)CC1	REAL300002518549	1	41	-2.0	-90.74	366.47	4.19	-86.55
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCC3(C(=O)[O-])CC3)=N2)=C1	REAL300002518564	0	44	-2.0	-120.11	375.28	6.76	-113.35
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC3(C(=O)[O-])CC3)=N2)C=C1	REAL300002518565	0	44	-2.0	-117.94	375.21	6.76	-111.18
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC2(C(=O)[O-])CC2)=N1	REAL300002518619	0	38	-2.0	-114.64	333.40	6.23	-108.41
O=C([O-])C1(CNC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CC1	REAL300002518622	0	35	-2.0	-114.59	321.43	4.90	-109.69
O=C([O-])C1(CNC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)CC1	REAL300002518650	0	35	-2.0	-86.45	336.91	3.01	-83.44
O=C([O-])C1(CNC(=O)C2=CN=C(I)C([O-])=C2)CC1	REAL300002518681	0	27	-2.0	-90.84	276.15	2.73	-88.11
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC3(C(=O)[O-])CC3)=N2)=C1	REAL300002518717	0	38	-2.0	-122.01	339.77	5.49	-116.52
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC2(C(=O)[O-])CC2)=N1	REAL300002518718	0	41	-2.0	-120.71	344.28	7.01	-113.70
CC1=C(CC(=O)NCC2(C(=O)[O-])CC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002518741	1	41	-2.0	-102.60	354.64	4.23	-98.37
CCOC1=CC(C(=O)NCC2(C(=O)[O-])CC2)=CC(Cl)=C1[O-]	REAL300002518810	1	35	-2.0	-97.95	317.35	5.54	-92.41
O=C([O-])C1(CNC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])CC1	REAL300002518814	0	38	-2.0	-128.71	340.98	6.67	-122.04
COC1=CC=C(N2C=C([O-])C(C(=O)NCC3(C(=O)[O-])CC3)=N2)C=C1	REAL300002518820	0	39	-2.0	-117.81	344.50	4.14	-113.67
C[N-]S(=O)(=O)C1=CC(C(=O)NCC2(C(=O)[O-])CC2)=CO1	REAL300002518835	1	32	-2.0	-90.81	302.27	-0.24	-91.05
O=C([O-])C1(CNC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300002519275	0	28	-2.0	-99.52	280.90	6.59	-92.93
CC1=C(C(=O)NCC2(C(=O)[O-])CC2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300002519445	0	36	-2.0	-119.57	315.72	3.69	-115.88
CC1=C(CCC(=O)NC(C)C(C)C(=O)[O-])C(=O)NC(N2CCOCC2)=N1	REAL300002519764	0	50	-2.0	-101.15	393.40	5.51	-95.64
CC1=C(CCC(=O)NC(C)C(C)C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300002519764	1	50	-2.0	-101.15	393.40	5.51	-95.64
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC(C)C(C)C(=O)[O-])=C1	REAL300002520083	0	40	-2.0	-110.59	343.21	3.51	-107.08
CC(NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1)C(C)C(=O)[O-]	REAL300002520334	1	44	-2.0	-98.58	385.78	5.83	-92.75
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(C)C(C)C(=O)[O-]	REAL300002520375	0	40	-2.0	-104.43	335.64	3.54	-100.89
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC(C)C(C)C(=O)[O-])C=C1	REAL300002520413	1	42	-2.0	-110.95	357.61	8.46	-102.49
CC(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1)C(C)C(=O)[O-]	REAL300002520463	1	44	-2.0	-90.72	380.94	5.58	-85.14
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C)C(C)C(=O)[O-])C=C1	REAL300002520465	1	47	-2.0	-93.37	394.61	6.26	-87.11
CC(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(C)C(=O)[O-]	REAL300002520580	1	44	-2.0	-108.07	382.43	5.77	-102.30
CC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(C)C(=O)[O-]	REAL300002520581	1	44	-2.0	-101.12	379.34	5.79	-95.33
CC1=CC(C(=O)NC(C)C(C)C(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300002520593	0	40	-2.0	-81.33	360.59	3.98	-77.35
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NC(C)C(C)C(=O)[O-])C=C2)C=C1	REAL300002520719	1	47	-2.0	-99.56	403.99	6.42	-93.14
CC(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(C)C(=O)[O-]	REAL300002520803	0	41	-2.0	-105.03	374.35	4.77	-100.26
CC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(C)C(=O)[O-]	REAL300002520820	1	43	-2.0	-87.07	359.28	1.86	-85.21
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C)C(C)C(=O)[O-])O1	REAL300002520821	1	34	-2.0	-87.16	306.62	-0.65	-87.81
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NC(C)C(C)C(=O)[O-])=C2)C=C1	REAL300002520933	1	47	-2.0	-105.26	400.75	6.44	-98.82
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)NC(C)C(C)C(=O)[O-])=C2)=C1	REAL300002520972	1	47	-2.0	-106.98	403.65	6.52	-100.46
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC(C)C(C)C(=O)[O-])=C1	REAL300002521044	0	44	-2.0	-116.48	377.52	1.79	-114.69
CC(NC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)C(C)C(=O)[O-]	REAL300002521092	0	37	-2.0	-102.97	314.16	2.65	-100.32
CC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C(C)C(=O)[O-]	REAL300002521100	0	41	-2.0	-100.71	374.17	4.87	-95.84
CC(NC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(C)C(=O)[O-]	REAL300002521101	0	44	-2.0	-109.38	391.48	5.21	-104.17
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(C)C(C)C(=O)[O-])=CS1	REAL300002521415	1	41	-2.0	-103.31	347.40	3.73	-99.58
CC(NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C(C)C(=O)[O-]	REAL300002521589	0	37	-2.0	-103.88	328.23	2.89	-100.99
CC1=C(CC(=O)NC(C)C(C)C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002521598	1	43	-2.0	-107.97	358.26	3.92	-104.05
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(C)C(C)C(=O)[O-]	REAL300002521603	0	43	-2.0	-104.93	357.13	4.33	-100.60
CC1=C(C(=O)NC(C)C(C)C(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300002521654	1	43	-2.0	-94.32	342.63	4.41	-89.91
CC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(C)C(=O)[O-]	REAL300002521761	1	44	-2.0	-98.81	382.59	5.75	-93.06
CC(NC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O)C(C)C(=O)[O-]	REAL300002522185	0	43	-2.0	-114.45	367.71	5.08	-109.37
CC(NC(=O)C1=CC(Br)=C([O-])C(Br)=C1)C(C)C(=O)[O-]	REAL300002522268	0	30	-2.0	-85.18	294.55	4.87	-80.31
CC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(C)C(=O)[O-]	REAL300002522322	1	33	-2.0	-104.43	290.31	6.11	-98.32
CC(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(C)C(=O)[O-]	REAL300002522398	0	36	-2.0	-103.92	317.78	1.95	-101.97
CC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(C)C(=O)[O-]	REAL300002522452	1	43	-2.0	-94.85	377.63	3.97	-90.88
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC(C)C(C)C(=O)[O-])=N2)=C1	REAL300002522467	0	46	-2.0	-114.46	379.25	6.97	-107.49
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(C)C(C)C(=O)[O-])=N2)C=C1	REAL300002522468	0	46	-2.0	-113.31	379.19	6.97	-106.34
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(C)C(C)C(=O)[O-])=N1	REAL300002522522	0	40	-2.0	-111.27	349.63	6.14	-105.13
CC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(C)C(=O)[O-]	REAL300002522525	0	37	-2.0	-111.36	325.40	5.12	-106.24
CC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(C)C(=O)[O-]	REAL300002522553	0	37	-2.0	-86.12	340.88	3.21	-82.91
CC(NC(=O)C1=CN=C(I)C([O-])=C1)C(C)C(=O)[O-]	REAL300002522584	0	29	-2.0	-89.98	283.02	3.02	-86.96
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(C)C(C)C(=O)[O-])=N2)=C1	REAL300002522622	0	40	-2.0	-119.41	339.13	5.41	-114.00
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(C)C(C)C(=O)[O-])=N1	REAL300002522623	0	43	-2.0	-116.10	360.25	6.79	-109.31
CC1=C(CC(=O)NC(C)C(C)C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002522647	1	43	-2.0	-106.79	358.49	3.88	-102.91
CCOC1=CC(C(=O)NC(C)C(C)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300002522720	1	37	-2.0	-100.84	323.39	5.38	-95.46
CC(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(C)C(=O)[O-]	REAL300002522724	0	40	-2.0	-118.41	351.79	6.56	-111.85
COC1=CC=C(N2C=C([O-])C(C(=O)NC(C)C(C)C(=O)[O-])=N2)C=C1	REAL300002522730	0	41	-2.0	-114.24	351.37	4.42	-109.82
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C)C(C)C(=O)[O-])=CO1	REAL300002522745	1	34	-2.0	-95.40	305.57	-0.72	-96.12
CC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(C)C(=O)[O-]	REAL300002523207	0	30	-2.0	-99.80	283.43	6.13	-93.67
CC1=C(C(=O)NC(C)C(C)C(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300002523384	0	38	-2.0	-115.20	320.96	3.46	-111.74
CC1=C(CCC(=O)N2CCCC2(C)C(=O)[O-])C(=O)NC(N2CCOCC2)=N1	REAL300002523733	0	51	-2.0	-123.02	399.77	7.85	-115.17
CC1=C(CCC(=O)N2CCCC2(C)C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300002523733	1	51	-2.0	-123.02	399.77	7.85	-115.17
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300002524262	1	43	-2.0	-138.99	364.36	10.77	-128.22
CC1(C(=O)[O-])CCCN1C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300002524409	1	45	-2.0	-116.57	377.33	7.56	-109.01
CC1(C(=O)[O-])CCCN1C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300002524410	1	45	-2.0	-118.42	377.86	7.28	-111.14
CC1=CC(C(=O)N2CCCC2(C)C(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300002524421	0	41	-2.0	-97.58	358.26	5.50	-92.08
CC1(C(=O)[O-])CCCN1C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300002524605	0	42	-2.0	-111.56	369.29	6.57	-104.99
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC2(C)C(=O)[O-])O1	REAL300002524622	1	44	-2.0	-101.01	363.69	4.30	-96.71
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC2(C)C(=O)[O-])O1	REAL300002524623	1	35	-2.0	-99.76	310.08	1.77	-97.99
CC1(C(=O)[O-])CCCN1C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300002524851	0	42	-2.0	-116.67	369.79	6.28	-110.39
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCCC2(C)C(=O)[O-])=CS1	REAL300002525105	1	42	-2.0	-119.70	354.72	6.07	-113.63
CC1=C(CC(=O)N2CCCC2(C)C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002525277	1	44	-2.0	-124.07	365.58	6.27	-117.80
CC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300002525406	1	45	-2.0	-105.63	377.45	7.57	-98.06
CC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300002525938	1	34	-2.0	-125.34	292.79	7.63	-117.71
CC1(C(=O)[O-])CCCN1C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300002526004	0	37	-2.0	-109.89	318.23	3.36	-106.53
CC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300002526049	1	44	-2.0	-101.78	372.54	5.79	-95.99
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCCC3(C)C(=O)[O-])=N2)=C1	REAL300002526063	0	47	-2.0	-142.78	378.26	9.36	-133.42
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCCC3(C)C(=O)[O-])=N2)C=C1	REAL300002526064	0	47	-2.0	-141.72	378.18	9.36	-132.36
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCCC2(C)C(=O)[O-])=N1	REAL300002526111	0	41	-2.0	-138.78	344.71	8.28	-130.50
CC1(C(=O)[O-])CCCN1C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300002526115	0	38	-2.0	-139.68	324.41	7.51	-132.17
CC1(C(=O)[O-])CCCN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300002526130	1	36	-2.0	-143.22	297.17	8.24	-134.98
CC1(C(=O)[O-])CCCN1C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300002526146	0	38	-2.0	-101.95	339.40	4.71	-97.24
CC1(C(=O)[O-])CCCN1C(=O)C1=CN=C(I)C([O-])=C1	REAL300002526176	0	30	-2.0	-107.47	277.46	4.33	-103.14
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCCC3(C)C(=O)[O-])=N2)=C1	REAL300002526208	0	41	-2.0	-146.90	342.73	8.10	-138.80
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCCC2(C)C(=O)[O-])=N1	REAL300002526209	0	44	-2.0	-145.35	359.33	9.02	-136.33
CC1=C(CC(=O)N2CCCC2(C)C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002526234	1	44	-2.0	-121.81	364.95	6.25	-115.56
CC1(C(=O)[O-])CCCN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300002526259	0	31	-2.0	-102.96	278.03	5.91	-97.05
CCOC1=CC(C(=O)N2CCCC2(C)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300002526317	1	38	-2.0	-108.33	323.84	6.86	-101.47
CC1(C(=O)[O-])CCCN1C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300002526320	0	41	-2.0	-147.90	349.18	8.78	-139.12
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCCC3(C)C(=O)[O-])=N2)C=C1	REAL300002526324	0	42	-2.0	-141.29	347.46	6.74	-134.55
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCCC2(C)C(=O)[O-])=CO1	REAL300002526334	1	35	-2.0	-102.17	307.28	1.17	-101.00
CC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300002526428	0	34	-2.0	-95.82	292.61	5.06	-90.76
CC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300002526428	1	34	-2.0	-95.79	292.67	5.06	-90.73
CC1(C(=O)[O-])CCCN1C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300002526627	1	39	-2.0	-117.79	322.11	5.47	-112.32
CC1(C(=O)[O-])CCCN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300002526780	0	31	-2.0	-117.91	289.82	7.48	-110.43
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300002527724	1	41	-2.0	-98.11	360.56	5.59	-92.52
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=CC(CC(=O)[O-])=C1	REAL300002528039	1	41	-2.0	-99.07	360.34	5.81	-93.26
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2=CC=CC(CC(=O)[O-])=C2)C=C1	REAL300002528089	1	43	-2.0	-129.23	382.48	10.74	-118.49
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC(CC(=O)[O-])=C2)O1	REAL300002528538	1	44	-2.0	-91.09	385.21	4.15	-86.94
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC(CC(=O)[O-])=C2)O1	REAL300002528539	1	35	-2.0	-90.92	331.59	1.60	-89.32
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=CC(CC(=O)[O-])=C1	REAL300002528814	0	38	-2.0	-97.75	339.17	4.91	-92.84
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=CC=CC(CC(=O)[O-])=C2)=CS1	REAL300002529185	1	42	-2.0	-98.18	373.08	6.03	-92.15
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1=CC=CC(CC(=O)[O-])=C1	REAL300002529421	0	38	-2.0	-92.30	345.57	4.98	-87.32
CC1=C(CC(=O)NC2=CC=CC(CC(=O)[O-])=C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002529424	1	44	-2.0	-103.25	383.28	6.17	-97.08
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=CC(CC(=O)[O-])=C1	REAL300002529427	1	44	-2.0	-99.45	381.84	6.60	-92.85
CC1=C(C(=O)NC2=CC=CC(CC(=O)[O-])=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300002529506	1	44	-2.0	-98.01	363.74	6.43	-91.58
COC1=CC=C(C(=O)NC2=CC=CC(CC(=O)[O-])=C2)C([O-])=C1	REAL300002529981	1	35	-2.0	-106.27	306.01	6.60	-99.67
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NC1=CC=CC(CC(=O)[O-])=C1	REAL300002530316	0	44	-2.0	-102.34	385.05	7.17	-95.17
O=C([O-])CC1=CC=CC(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])=C1	REAL300002530518	1	34	-2.0	-115.16	315.29	8.29	-106.87
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=CC(CC(=O)[O-])=C2)C=N1	REAL300002530626	0	37	-2.0	-94.68	340.21	3.94	-90.74
O=C([O-])CC1=CC=CC(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)=C1	REAL300002530659	1	36	-2.0	-97.49	317.95	5.35	-92.14
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3=CC=CC(CC(=O)[O-])=C3)=N2)=C1	REAL300002530715	0	47	-2.0	-111.18	399.74	8.98	-102.20
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=CC(CC(=O)[O-])=C3)=N2)C=C1	REAL300002530716	0	47	-2.0	-109.69	399.73	8.99	-100.70
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC=CC(CC(=O)[O-])=C2)=N1	REAL300002530801	0	41	-2.0	-105.71	361.65	8.07	-97.64
O=C([O-])CC1=CC=CC(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])=C1	REAL300002530806	0	38	-2.0	-123.22	345.65	7.14	-116.08
O=C([O-])CC1=CC=CC(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)=C1	REAL300002530834	0	36	-2.0	-109.56	319.10	7.92	-101.64
O=C([O-])CC1=CC=CC(NC(=O)C2=CN=C(I)C([O-])=C2)=C1	REAL300002530908	0	30	-2.0	-105.77	300.66	4.95	-100.82
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC=CC(CC(=O)[O-])=C3)=N2)=C1	REAL300002530974	0	41	-2.0	-113.78	364.29	7.71	-106.07
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=CC(CC(=O)[O-])=C2)=N1	REAL300002530975	0	44	-2.0	-110.93	373.67	8.86	-102.07
CC1=C(CC(=O)NC2=CC=CC(CC(=O)[O-])=C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002531043	1	44	-2.0	-101.91	383.47	6.16	-95.75
O=C([O-])CC1=CC=CC(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)=C1	REAL300002531092	0	31	-2.0	-101.63	300.68	6.41	-95.22
O=C([O-])CC1=CC=CC(NC(=O)C2=CC=C([O-])C(Cl)=C2)=C1	REAL300002531219	0	31	-2.0	-100.63	294.75	6.33	-94.30
CCOC1=CC(C(=O)NC2=CC=CC(CC(=O)[O-])=C2)=CC(Cl)=C1[O-]	REAL300002531223	1	38	-2.0	-92.36	345.82	7.37	-84.99
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=CC(CC(=O)[O-])=C3)=N2)C=C1	REAL300002531235	0	42	-2.0	-109.77	369.02	6.36	-103.41
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=CC(CC(=O)[O-])=C2)=CO1	REAL300002531256	1	35	-2.0	-92.87	330.75	1.60	-91.27
O=C([O-])CC1=CC=CC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)=C1	REAL300002531337	0	39	-2.0	-97.45	342.90	10.30	-87.15
O=C([O-])CC1=CC=CC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)=C1	REAL300002531337	1	39	-2.0	-97.51	342.95	10.29	-87.22
O=C([O-])CC1=CC=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300002531400	0	34	-2.0	-90.15	314.21	4.49	-85.66
O=C([O-])CC1=CC=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300002531400	1	34	-2.0	-84.77	314.57	4.50	-80.27
COCC1=NC=C(C(=O)NC2=CC=CC(CC(=O)[O-])=C2)C(=O)[N-]1	REAL300002531703	1	36	-2.0	-96.64	319.79	3.01	-93.63
O=C([O-])CC1=CC=CC(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)=C1	REAL300002531746	1	39	-2.0	-97.46	333.70	5.90	-91.56
O=C([O-])CC1=CC=CC(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=C1	REAL300002532034	0	31	-2.0	-94.41	309.08	8.32	-86.09
CC1=C(C(=O)NC2=CC=CC(CC(=O)[O-])=C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300002532315	0	39	-2.0	-100.98	343.48	5.50	-95.48
COCC(NC(=O)CCC1=C(C)N=C(N2CCOCC2)NC1=O)C(=O)[O-]	REAL300002532774	0	48	-2.0	-107.66	394.99	3.67	-103.99
COCC(NC(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O)C(=O)[O-]	REAL300002532774	1	48	-2.0	-107.66	394.99	3.67	-103.99
COCC(NC(=O)C1=CC(C)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300002533095	0	38	-2.0	-117.47	337.28	1.47	-116.00
COCC(NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1)C(=O)[O-]	REAL300002533347	1	42	-2.0	-109.17	383.06	3.72	-105.45
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(COC)C(=O)[O-]	REAL300002533388	0	38	-2.0	-118.32	337.36	1.69	-116.63
COCC(NC(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1)C(=O)[O-]	REAL300002533429	1	40	-2.0	-129.42	358.86	6.60	-122.82
COCC(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300002533478	1	42	-2.0	-102.67	382.85	3.76	-98.91
COCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C)C=C1)C(=O)[O-]	REAL300002533480	1	45	-2.0	-102.01	396.52	4.44	-97.57
COCC(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300002533598	1	42	-2.0	-109.27	376.45	3.69	-105.58
COCC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300002533599	1	42	-2.0	-113.88	376.13	3.69	-110.19
COCC(NC(=O)C1=CC=C([N-]S(=O)(=O)C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300002533612	0	38	-2.0	-93.72	357.74	1.91	-91.81
COCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2)C=C1)C(=O)[O-]	REAL300002533740	1	45	-2.0	-102.89	397.53	4.37	-98.52
COCC(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300002533824	0	39	-2.0	-110.03	368.37	2.69	-107.34
COCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300002533841	1	41	-2.0	-100.34	362.60	-0.06	-100.40
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(COC)C(=O)[O-])O1	REAL300002533842	1	32	-2.0	-99.22	308.34	-2.51	-101.73
COCC(NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2)=C1)C(=O)[O-]	REAL300002533959	1	45	-2.0	-116.36	398.04	4.33	-112.03
COCC(NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2)=C1)C(=O)[O-]	REAL300002533999	1	45	-2.0	-116.65	397.90	4.39	-112.26
COCC(NC(=O)C1=CC(NC(C)=O)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300002534070	0	42	-2.0	-122.35	371.98	-0.32	-122.67
COCC(NC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300002534119	0	35	-2.0	-116.87	315.76	0.84	-116.03
COCC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C(=O)[O-]	REAL300002534126	0	39	-2.0	-112.04	368.56	2.69	-109.35
COCC(NC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300002534127	0	42	-2.0	-120.63	393.07	3.39	-117.24
COCC(NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1)C(=O)[O-]	REAL300002534445	1	39	-2.0	-111.79	349.59	1.90	-109.89
COCC(NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300002534626	0	35	-2.0	-109.58	321.82	0.87	-108.71
COCC(NC(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O)C(=O)[O-]	REAL300002534634	1	41	-2.0	-116.85	360.94	2.08	-114.77
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(COC)C(=O)[O-]	REAL300002534639	0	41	-2.0	-118.99	358.86	2.48	-116.51
COCC(NC(=O)C1=C(C)N=C(C(C)(C)C)[N-]C1=O)C(=O)[O-]	REAL300002534692	1	41	-2.0	-114.02	339.91	2.32	-111.70
COCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300002534797	1	42	-2.0	-102.15	376.61	3.68	-98.47
COCC(NC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300002535237	0	41	-2.0	-121.79	361.64	3.09	-118.70
COCC(NC(=O)C1=CC(Br)=C([O-])C(Br)=C1)C(=O)[O-]	REAL300002535321	0	28	-2.0	-96.32	296.14	3.04	-93.28
COCC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300002535374	1	31	-2.0	-118.82	292.04	4.26	-114.56
COCC(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300002535451	0	34	-2.0	-105.91	316.45	-0.16	-106.07
COCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300002535507	1	41	-2.0	-98.22	371.16	1.91	-96.31
COCC(NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-])C(=O)[O-]	REAL300002535522	0	44	-2.0	-134.51	376.40	4.90	-129.61
COCC(NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])C(=O)[O-]	REAL300002535523	0	44	-2.0	-132.78	376.33	4.90	-127.88
COCC(NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-])C(=O)[O-]	REAL300002535581	0	38	-2.0	-129.34	343.87	4.00	-125.34
COCC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300002535584	0	35	-2.0	-129.85	322.69	3.01	-126.84
COCC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300002535612	0	35	-2.0	-97.75	338.16	1.10	-96.65
COCC(NC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300002535644	0	27	-2.0	-101.12	277.40	0.83	-100.29
COCC(NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-])C(=O)[O-]	REAL300002535684	0	38	-2.0	-137.38	340.89	3.63	-133.75
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(COC)C(=O)[O-])=N1	REAL300002535685	0	41	-2.0	-135.79	357.54	4.67	-131.12
COCC(NC(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O)C(=O)[O-]	REAL300002535711	1	41	-2.0	-114.72	360.21	2.03	-112.69
CCOC1=CC(C(=O)NC(COC)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300002535786	1	35	-2.0	-103.90	322.55	3.26	-100.64
COCC(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300002535790	0	38	-2.0	-138.48	346.04	4.42	-134.06
COCC(NC(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-])C(=O)[O-]	REAL300002535796	0	39	-2.0	-132.40	345.62	2.28	-130.12
C[N-]S(=O)(=O)C1=CC(C(=O)NC(COC)C(=O)[O-])=CO1	REAL300002535811	1	32	-2.0	-104.27	306.99	-2.53	-106.80
COCC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300002536290	0	28	-2.0	-115.06	285.97	4.34	-110.72
COCC(NC(=O)C1=C(C)N=C(C2=CC=CO2)[N-]C1=O)C(=O)[O-]	REAL300002536471	0	36	-2.0	-116.85	320.15	1.39	-115.46
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC(CC2CCCCC2)C(=O)[O-])=C1	REAL300002537218	0	50	-2.0	-117.86	405.55	6.50	-111.36
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300002537507	0	50	-2.0	-118.94	405.83	6.64	-112.30
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC2CCCCC2)C(=O)[O-])O1	REAL300002537951	1	44	-2.0	-97.06	375.98	2.48	-94.58
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300002538206	0	47	-2.0	-117.19	384.36	5.75	-111.44
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(CC2CCCCC2)C(=O)[O-])=CS1	REAL300002538543	1	51	-2.0	-112.12	417.72	6.89	-105.23
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300002538767	0	47	-2.0	-109.33	389.95	5.87	-103.46
CC1=C(CC(=O)NC(CC2CCCCC2)C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002538769	1	53	-2.0	-128.44	428.54	7.00	-121.44
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300002538772	0	53	-2.0	-119.56	426.50	7.47	-112.09
CC1=C(C(=O)NC(CC2CCCCC2)C(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300002538853	1	53	-2.0	-114.66	408.53	7.23	-107.43
O=C([O-])C(CC1CCCCC1)NC(=O)C1=CC=C([O-])C(F)=C1	REAL300002539898	1	40	-2.0	-100.87	330.22	6.70	-94.17
O=C([O-])C(CC1CCCCC1)NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300002539910	1	43	-2.0	-120.03	359.68	9.26	-110.77
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(CC2CCCCC2)C(=O)[O-])C=N1	REAL300002540018	0	46	-2.0	-104.79	385.21	4.85	-99.94
O=C([O-])C(CC1CCCCC1)NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300002540054	1	45	-2.0	-113.03	362.47	6.23	-106.80
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC(CC3CCCCC3)C(=O)[O-])=N2)=C1	REAL300002540111	0	56	-2.0	-135.29	444.81	9.88	-125.41
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(CC3CCCCC3)C(=O)[O-])=N2)C=C1	REAL300002540112	0	56	-2.0	-133.62	444.74	9.88	-123.74
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(CC2CCCCC2)C(=O)[O-])=N1	REAL300002540206	0	50	-2.0	-130.13	411.65	9.03	-121.10
O=C([O-])C(CC1CCCCC1)NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300002540211	0	47	-2.0	-130.86	390.96	8.03	-122.83
O=C([O-])C(CC1CCCCC1)NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300002540252	1	45	-2.0	-136.29	364.31	8.83	-127.46
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(CC3CCCCC3)C(=O)[O-])=N2)=C1	REAL300002540415	0	50	-2.0	-138.24	409.55	8.55	-129.69
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CC2CCCCC2)C(=O)[O-])=N1	REAL300002540416	0	53	-2.0	-137.01	426.00	9.71	-127.30
CC1=C(CC(=O)NC(CC2CCCCC2)C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002540493	1	53	-2.0	-127.11	428.72	7.00	-120.11
O=C([O-])C(CC1CCCCC1)NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300002540555	0	40	-2.0	-97.83	346.18	7.23	-90.60
COC1=C(C(=O)NC(CC2CCCCC2)C(=O)[O-])NC(=O)[N-]C1=O	REAL300002540572	1	43	-2.0	-98.65	352.33	2.29	-96.36
O=C(CCCC1=N[N-]N=N1)NC(CC1CCCCC1)C(=O)[O-]	REAL300002540671	0	43	-2.0	-106.05	349.17	5.53	-100.52
O=C(CCCC1=NN=N[N-]1)NC(CC1CCCCC1)C(=O)[O-]	REAL300002540671	1	43	-2.0	-106.02	349.23	5.54	-100.48
O=C([O-])C(CC1CCCCC1)NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300002540708	0	40	-2.0	-98.84	340.02	7.19	-91.65
CCOC1=CC(C(=O)NC(CC2CCCCC2)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300002540712	1	47	-2.0	-103.33	391.02	8.21	-95.12
COC1=CC=C(N2C=C([O-])C(C(=O)NC(CC3CCCCC3)C(=O)[O-])=N2)C=C1	REAL300002540722	0	51	-2.0	-133.18	414.03	7.27	-125.91
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CC2CCCCC2)C(=O)[O-])=CO1	REAL300002540746	1	44	-2.0	-103.66	375.99	2.43	-101.23
O=C([O-])C(CC1CCCCC1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300002540909	0	43	-2.0	-91.64	359.72	5.33	-86.31
O=C([O-])C(CC1CCCCC1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300002540909	1	43	-2.0	-91.62	359.79	5.33	-86.29
COCC1=NC=C(C(=O)NC(CC2CCCCC2)C(=O)[O-])C(=O)[N-]1	REAL300002541242	1	45	-2.0	-112.16	364.91	3.88	-108.28
O=C([O-])C(CC1CCCCC1)NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300002541290	1	48	-2.0	-113.64	379.06	6.72	-106.92
O=C([O-])C(CC1CCCCC1)NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300002541609	0	40	-2.0	-115.99	354.34	9.31	-106.68
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC(CC(F)(F)F)C(=O)[O-])=C1	REAL300002542853	0	37	-2.0	-110.18	341.36	3.91	-106.27
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300002543163	0	37	-2.0	-111.07	341.44	4.13	-106.94
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300002543211	1	39	-2.0	-119.13	362.58	9.08	-110.05
O=C([O-])C(CC(F)(F)F)[N-]C(=O)C(F)(F)C1=CC=CC=C1	REAL300002543590	1	29	-2.0	-121.72	283.04	5.42	-116.30
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC(F)(F)F)C(=O)[O-])O1	REAL300002543652	1	40	-2.0	-92.55	366.02	2.46	-90.09
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC(F)(F)F)C(=O)[O-])O1	REAL300002543653	1	31	-2.0	-91.67	312.41	-0.07	-91.74
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300002543925	0	34	-2.0	-109.37	319.73	3.30	-106.07
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(CC(F)(F)F)C(=O)[O-])=CS1	REAL300002544283	1	38	-2.0	-105.56	354.15	4.33	-101.23
CCOC1=CC=CC=C1C(F)(F)C(=O)[N-]C(CC(F)(F)F)C(=O)[O-]	REAL300002544476	1	36	-2.0	-126.09	328.90	6.39	-119.70
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300002544523	0	34	-2.0	-102.08	325.54	3.34	-98.74
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300002544529	0	40	-2.0	-111.70	362.69	4.99	-106.71
COC1=CC=CC=C1C(F)(F)C(=O)[N-]C(CC(F)(F)F)C(=O)[O-]	REAL300002544961	1	33	-2.0	-127.18	310.30	4.80	-122.38
O=C([O-])C(CC(F)(F)F)[N-]C(=O)C(F)(F)C1=CC=C(Br)C=C1	REAL300002544985	0	29	-2.0	-116.81	304.33	6.05	-110.76
O=C([O-])C(CC(F)(F)F)[N-]C(=O)C(F)(F)N1C=C(C2=CC=CC=C2)N=N1	REAL300002545055	1	35	-2.0	-121.65	336.08	5.52	-116.13
O=C([O-])C(CC(F)(F)F)NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300002545651	1	30	-2.0	-111.38	295.29	6.74	-104.64
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(CC(F)(F)F)C(=O)[O-])C=N1	REAL300002545758	0	33	-2.0	-98.54	320.77	2.34	-96.20
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC(CC(F)(F)F)C(=O)[O-])=N2)=C1	REAL300002545850	0	43	-2.0	-126.32	380.61	7.30	-119.02
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(CC(F)(F)F)C(=O)[O-])=N2)C=C1	REAL300002545851	0	43	-2.0	-124.76	380.54	7.30	-117.46
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(CC(F)(F)F)C(=O)[O-])=N1	REAL300002545941	0	37	-2.0	-121.27	347.84	6.47	-114.80
O=C([O-])C(CC(F)(F)F)NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300002545946	0	34	-2.0	-122.14	326.76	5.45	-116.69
O=C([O-])C(CC(F)(F)F)NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300002545977	1	32	-2.0	-126.41	299.09	6.37	-120.04
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(CC(F)(F)F)C(=O)[O-])=N2)=C1	REAL300002546132	0	37	-2.0	-129.41	344.86	6.10	-123.31
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CC(F)(F)F)C(=O)[O-])=N1	REAL300002546133	0	40	-2.0	-127.82	361.62	7.11	-120.71
O=C([O-])C(CC(F)(F)F)NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300002546254	0	27	-2.0	-91.77	280.95	4.77	-87.00
COC1=C(C(=O)NC(CC(F)(F)F)C(=O)[O-])NC(=O)[N-]C1=O	REAL300002546266	1	30	-2.0	-93.65	287.69	-0.14	-93.79
O=C([O-])C(CC(F)(F)F)NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300002546394	0	27	-2.0	-93.45	275.58	4.64	-88.81
CCOC1=CC(C(=O)NC(CC(F)(F)F)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300002546397	1	34	-2.0	-96.64	325.79	5.75	-90.89
COC1=CC=C(N2C=C([O-])C(C(=O)NC(CC(F)(F)F)C(=O)[O-])=N2)C=C1	REAL300002546409	0	38	-2.0	-124.54	349.59	4.75	-119.79
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CC(F)(F)F)C(=O)[O-])=CO1	REAL300002546432	1	31	-2.0	-97.25	311.55	-0.09	-97.34
O=C([O-])C(CC(F)(F)F)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300002546588	0	30	-2.0	-85.88	295.32	2.79	-83.09
O=C([O-])C(CC(F)(F)F)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300002546588	1	30	-2.0	-85.85	295.39	2.80	-83.05
O=C([O-])C(CC(F)(F)F)[N-]C(=O)C(F)(F)C1=CC=CC(Br)=C1	REAL300002546761	0	29	-2.0	-118.98	304.33	6.04	-112.94
COCC1=NC=C(C(=O)NC(CC(F)(F)F)C(=O)[O-])C(=O)[N-]1	REAL300002546909	1	32	-2.0	-102.65	300.61	1.33	-101.32
O=C([O-])C(CC(F)(F)F)[N-]C(=O)C(F)(F)C1=CC=CN=C1	REAL300002547018	1	28	-2.0	-117.81	277.99	3.63	-114.18
O=C([O-])C(CC(F)(F)F)NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300002547252	0	27	-2.0	-107.49	290.18	6.73	-100.76
O=C([O-])C(CC(F)(F)F)[N-]C(=O)C(F)(F)CCN1C=CN=N1	REAL300002547346	1	31	-2.0	-121.82	299.94	3.54	-118.28
CC1=CC(F)=CC=C1C(F)(F)C(=O)[N-]C(CC(F)(F)F)C(=O)[O-]	REAL300002547347	0	32	-2.0	-115.42	300.89	6.55	-108.87
O=C([O-])C(CC(F)(F)F)[N-]C(=O)C(F)(F)CCN1C=CC=N1	REAL300002547348	1	32	-2.0	-122.03	307.58	4.22	-117.81
CC1=C(C(=O)NC(CC(F)(F)F)C(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300002547555	1	35	-2.0	-107.99	324.36	3.79	-104.20
CC1=CC(C(F)(F)C(=O)[N-]C(CC(F)(F)F)C(=O)[O-])=CS1	REAL300002547698	1	29	-2.0	-120.13	294.44	5.75	-114.38
CN1C=C(C(F)(F)C(=O)[N-]C(CC(F)(F)F)C(=O)[O-])C=N1	REAL300002547699	1	29	-2.0	-119.89	285.02	3.90	-115.99
O=C([O-])C1=CC=C(CNC(=O)C2=CC=C([O-])C(F)=C2)C(Br)=C1	REAL300002549250	1	31	-2.0	-91.32	307.03	5.67	-85.65
O=C([O-])C1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C(Br)=C1	REAL300002549313	0	31	-2.0	-87.51	304.24	3.84	-83.67
O=C([O-])C1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C(Br)=C1	REAL300002549313	1	31	-2.0	-87.55	304.29	3.86	-83.69
O=C([O-])C1=CC=C(CNC(=O)C2=CN=CC([O-])=C2)C(Br)=C1	REAL300002549393	1	30	-2.0	-90.84	295.87	3.79	-87.05
COC1=C(C(=O)NCC2=CC=C(C(=O)[O-])C=C2Br)NC(=O)[N-]C1=O	REAL300002549680	1	34	-2.0	-91.49	329.19	1.32	-90.17
O=C([O-])C1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C(Br)=C1	REAL300002549745	0	34	-2.0	-92.30	325.98	4.52	-87.78
O=C([O-])C1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C(Br)=C1	REAL300002549745	1	34	-2.0	-92.30	326.04	4.54	-87.76
O=C([O-])C1=CC=C(CNC(=O)C2=CC=C([O-])C(Cl)=C2)C(Br)=C1	REAL300002549769	0	31	-2.0	-87.76	316.83	6.16	-81.60
O=C([O-])C1=CC=C(CNC(=O)C2=C[N-]N=CC2=O)C(Br)=C1	REAL300002550024	0	29	-2.0	-82.94	288.09	4.21	-78.73
COCC1=NC=C(C(=O)NCC2=CC=C(C(=O)[O-])C=C2Br)C(=O)[N-]1	REAL300002550043	1	36	-2.0	-91.13	341.93	2.83	-88.30
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1=CC(C)=CC=C1[N-]S(C)(=O)=O	REAL300002551219	0	47	-2.0	-99.31	406.51	4.07	-95.24
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=C(C)N(CC(=O)[O-])N=C1C	REAL300002551474	0	47	-2.0	-100.38	407.61	4.33	-96.05
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=C(C)N(CC(=O)[O-])N=C2C)O1	REAL300002551870	1	41	-2.0	-91.63	377.56	0.09	-91.54
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O	REAL300002552100	0	44	-2.0	-99.07	386.14	3.44	-95.63
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1	REAL300002552419	1	48	-2.0	-100.14	420.32	4.54	-95.60
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O	REAL300002552624	0	44	-2.0	-93.58	391.53	3.46	-90.12
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1=C(C)N=C(C(C)(C)C)[N-]C1=O	REAL300002552713	1	50	-2.0	-95.10	410.23	4.92	-90.18
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1=CC=C([O-])C(F)=C1	REAL300002553754	1	37	-2.0	-92.98	330.93	4.34	-88.64
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300002553767	1	40	-2.0	-98.97	362.28	6.91	-92.06
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)CCC1=N[N-]N=N1	REAL300002553808	0	37	-2.0	-89.77	328.37	2.39	-87.38
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)CCC1=NN=N[N-]1	REAL300002553808	1	37	-2.0	-89.70	328.43	2.41	-87.29
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300002553895	0	43	-2.0	-95.52	387.19	2.45	-93.07
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300002553930	1	42	-2.0	-94.11	365.01	3.87	-90.24
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1=CN=CC([O-])=C1	REAL300002553972	1	36	-2.0	-93.73	319.79	2.45	-91.28
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300002554086	0	44	-2.0	-107.79	391.91	5.61	-102.18
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300002554132	1	42	-2.0	-108.58	366.09	6.53	-102.05
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC2=C(C)N(CC(=O)[O-])N=C2C)=N1	REAL300002554299	0	50	-2.0	-112.07	426.75	7.27	-104.80
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300002554434	0	37	-2.0	-90.20	347.96	4.91	-85.29
COC1=C(C(=O)NCC2=C(C)N(CC(=O)[O-])N=C2C)NC(=O)[N-]C1=O	REAL300002554452	1	40	-2.0	-92.77	353.08	-0.04	-92.81
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)CCCC1=N[N-]N=N1	REAL300002554552	0	40	-2.0	-96.08	349.87	3.18	-92.90
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)CCCC1=NN=N[N-]1	REAL300002554552	1	40	-2.0	-96.11	349.93	3.19	-92.92
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300002554592	0	37	-2.0	-89.63	340.72	4.82	-84.81
CCOC1=CC(C(=O)NCC2=C(C)N(CC(=O)[O-])N=C2C)=CC(Cl)=C1[O-]	REAL300002554595	1	44	-2.0	-94.11	392.80	5.89	-88.22
COC1=CC=C(N2C=C([O-])C(C(=O)NCC3=C(C)N(CC(=O)[O-])N=C3C)=N2)C=C1	REAL300002554604	0	48	-2.0	-109.79	414.98	4.84	-104.95
C[N-]S(=O)(=O)C1=CC(C(=O)NCC2=C(C)N(CC(=O)[O-])N=C2C)=CO1	REAL300002554628	1	41	-2.0	-94.97	376.70	0.07	-94.90
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300002554796	0	40	-2.0	-86.32	360.46	2.97	-83.35
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300002554796	1	40	-2.0	-86.30	360.53	2.97	-83.33
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1=C[N-]N=CC1=O	REAL300002555089	0	35	-2.0	-85.34	311.98	2.87	-82.47
COCC1=NC=C(C(=O)NCC2=C(C)N(CC(=O)[O-])N=C2C)C(=O)[N-]1	REAL300002555124	1	42	-2.0	-93.32	365.83	1.48	-91.84
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300002555174	1	45	-2.0	-94.15	380.76	4.41	-89.74
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300002555494	0	37	-2.0	-95.40	355.33	6.91	-88.49
CC1=C(CCC(=O)NC(C)(CC(=O)[O-])C(C)C)C(=O)[N-]C(N2CCOCC2)=N1	REAL300002556486	1	56	-2.0	-105.44	417.56	6.65	-98.79
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC(C)(CC(=O)[O-])C(C)C)C=C1	REAL300002557037	1	48	-2.0	-99.89	384.08	10.10	-89.79
CC(C)C(C)(CC(=O)[O-])NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300002557399	1	49	-2.0	-86.31	382.28	3.02	-83.29
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C)(CC(=O)[O-])C(C)C)O1	REAL300002557400	1	40	-2.0	-85.28	327.27	0.38	-84.90
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(C)(CC(=O)[O-])C(C)C)=CS1	REAL300002557898	1	47	-2.0	-109.56	372.39	4.93	-104.63
CC1=C(CC(=O)NC(C)(CC(=O)[O-])C(C)C)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002558090	1	49	-2.0	-111.57	385.62	5.55	-106.02
CC(C)C(C)(CC(=O)[O-])NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300002558879	1	39	-2.0	-109.48	314.13	7.13	-102.35
CC(C)C(C)(CC(=O)[O-])NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300002558956	0	42	-2.0	-90.46	335.89	2.86	-87.60
CC(C)C(C)(CC(=O)[O-])NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300002558974	1	41	-2.0	-110.61	319.48	4.72	-105.89
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC(C)(CC(=O)[O-])C(C)C)=N2)=C1	REAL300002559022	0	52	-2.0	-121.52	398.97	7.87	-113.65
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(C)(CC(=O)[O-])C(C)C)=N2)C=C1	REAL300002559023	0	52	-2.0	-108.26	395.41	7.72	-100.54
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(C)(CC(=O)[O-])C(C)C)=N1	REAL300002559076	0	46	-2.0	-105.06	362.41	6.90	-98.16
CC(C)C(C)(CC(=O)[O-])NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300002559081	0	43	-2.0	-118.65	345.12	6.02	-112.63
CC(C)C(C)(CC(=O)[O-])NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300002559101	1	41	-2.0	-120.99	318.27	6.74	-114.25
CC(C)C(C)(CC(=O)[O-])NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300002559119	0	43	-2.0	-81.96	357.03	4.03	-77.93
CC(C)C(C)(CC(=O)[O-])NC(=O)C1=CN=C(I)C([O-])=C1	REAL300002559159	0	35	-2.0	-84.98	296.28	3.77	-81.21
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(C)(CC(=O)[O-])C(C)C)=N2)=C1	REAL300002559209	0	46	-2.0	-113.02	360.22	6.66	-106.36
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(C)(CC(=O)[O-])C(C)C)=N1	REAL300002559210	0	49	-2.0	-122.85	380.09	7.63	-115.22
CC1=C(CC(=O)NC(C)(CC(=O)[O-])C(C)C)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002559252	1	49	-2.0	-110.27	384.90	5.51	-104.76
CC(C)C(C)(CC(=O)[O-])NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300002559289	0	36	-2.0	-90.81	299.77	5.28	-85.53
COC1=C(C(=O)NC(C)(CC(=O)[O-])C(C)C)NC(=O)[N-]C1=O	REAL300002559295	1	39	-2.0	-92.10	306.07	0.24	-91.86
CCOC1=CC(C(=O)NC(C)(CC(=O)[O-])C(C)C)=CC(Cl)=C1[O-]	REAL300002559372	1	43	-2.0	-94.73	344.64	6.28	-88.45
CC(C)C(C)(CC(=O)[O-])NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300002559375	0	46	-2.0	-112.92	365.36	7.44	-105.48
COC1=CC=C(N2C=C([O-])C(C(=O)NC(C)(CC(=O)[O-])C(C)C)=N2)C=C1	REAL300002559380	0	47	-2.0	-108.15	364.70	5.10	-103.05
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C)(CC(=O)[O-])C(C)C)=CO1	REAL300002559391	1	40	-2.0	-89.97	326.34	0.41	-89.56
CC(C)C(C)(CC(=O)[O-])NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300002559496	0	39	-2.0	-80.63	310.43	3.44	-77.19
CC(C)C(C)(CC(=O)[O-])NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300002559496	1	39	-2.0	-80.59	310.50	3.45	-77.14
COCC1=NC=C(C(=O)NC(C)(CC(=O)[O-])C(C)C)C(=O)[N-]1	REAL300002559712	1	41	-2.0	-91.17	315.73	1.92	-89.25
CC(C)C(C)(CC(=O)[O-])NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300002559748	1	44	-2.0	-95.86	332.85	4.81	-91.05
CC(C)C(C)(CC(=O)[O-])NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300002559943	0	36	-2.0	-98.89	310.78	7.63	-91.26
CC1=C(CCC(=O)NC2(CC(=O)[O-])CCOC2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300002560694	1	52	-2.0	-100.13	407.91	4.60	-95.53
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2(CC(=O)[O-])CCOC2)C=C1	REAL300002561245	1	44	-2.0	-121.16	371.77	7.63	-113.53
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(CC(=O)[O-])CCOC2)O1	REAL300002561607	1	45	-2.0	-99.28	374.25	0.99	-98.29
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(CC(=O)[O-])CCOC2)O1	REAL300002561608	1	36	-2.0	-98.10	320.63	-1.55	-99.65
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2(CC(=O)[O-])CCOC2)=CS1	REAL300002562106	1	43	-2.0	-102.37	362.35	2.87	-99.50
CC1=C(CC(=O)NC2(CC(=O)[O-])CCOC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002562298	1	45	-2.0	-108.31	372.31	3.01	-105.30
O=C([O-])CC1(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CCOC1	REAL300002563087	1	35	-2.0	-107.96	304.86	5.11	-102.85
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2(CC(=O)[O-])CCOC2)C=N1	REAL300002563164	0	38	-2.0	-100.83	329.76	0.78	-100.05
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C[N-]S(=O)(=O)C1=CC(C(=O)NC2(CC(=O)[O-])CCOC2)=CO1	REAL300002563599	1	36	-2.0	-95.48	320.30	-1.59	-97.07
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COC1=C(C(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)NC(=O)[N-]C1=O	REAL300002572315	1	40	-2.0	-104.19	345.77	2.42	-101.77
CC1=CC=C(C(NC(=O)CCCC2=N[N-]N=N2)C(=O)[O-])C=C1C	REAL300002572395	0	40	-2.0	-109.73	342.75	5.65	-104.08
CC1=CC=C(C(NC(=O)CCCC2=NN=N[N-]2)C(=O)[O-])C=C1C	REAL300002572395	1	40	-2.0	-109.72	342.80	5.66	-104.06
CC1=CC=C(C(NC(=O)C2=CC=C([O-])C(Cl)=C2)C(=O)[O-])C=C1C	REAL300002572427	0	37	-2.0	-103.88	334.22	7.26	-96.62
CCOC1=CC(C(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)=CC(Cl)=C1[O-]	REAL300002572431	1	44	-2.0	-108.25	385.03	8.37	-99.88
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C[N-]S(=O)(=O)C1=CC(C(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)=CO1	REAL300002572453	1	41	-2.0	-107.29	370.20	2.50	-104.79
CC1=CC=C(C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(=O)[O-])C=C1C	REAL300002572593	0	40	-2.0	-96.41	353.75	5.46	-90.95
CC1=CC=C(C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(=O)[O-])C=C1C	REAL300002572593	1	40	-2.0	-96.37	353.81	5.47	-90.90
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COCC1=CC(NC(=O)C2=CN=C(COC)[N-]C2=O)=CC(C(=O)[O-])=C1	REAL300002584822	1	40	-2.0	-104.47	353.00	1.98	-102.49
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C[N-]S(=O)(=O)C1=CC=C(C(=O)NCCC2=CC=C(C(=O)[O-])C=C2OC)O1	REAL300002586905	1	42	-2.0	-91.65	385.03	1.07	-90.58
COC1=CC(C(=O)[O-])=CC=C1CCNC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O	REAL300002587095	0	45	-2.0	-105.40	392.58	4.37	-101.03
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COC1=CC(C(=O)[O-])=CC=C1CCNC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300002588637	1	41	-2.0	-106.47	368.71	7.85	-98.62
COC1=CC(C(=O)[O-])=CC=C1CCNC(=O)CCC1=N[N-]N=N1	REAL300002588693	0	38	-2.0	-93.89	335.85	3.37	-90.52
COC1=CC(C(=O)[O-])=CC=C1CCNC(=O)CCC1=NN=N[N-]1	REAL300002588693	1	38	-2.0	-93.82	335.90	3.39	-90.43
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COC1=CC(C(=O)[O-])=CC=C1CCNC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300002588804	1	43	-2.0	-92.71	371.44	4.81	-87.90
COC1=CC(C(=O)[O-])=CC=C1CCNC(=O)C1=CN=CC([O-])=C1	REAL300002588843	1	37	-2.0	-99.65	327.23	3.43	-96.22
COC1=CC(C(=O)[O-])=CC=C1CCNC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300002588955	0	45	-2.0	-113.84	399.37	6.60	-107.24
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COC1=CC(C(=O)[O-])=CC=C1CCNC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300002589289	0	38	-2.0	-94.42	354.40	5.87	-88.55
COC1=CC(C(=O)[O-])=CC=C1CCNC(=O)C1=C(OC)C(=O)[N-]C(=O)N1	REAL300002589308	1	41	-2.0	-96.50	360.54	0.94	-95.56
COC1=CC(C(=O)[O-])=CC=C1CCNC(=O)CCCC1=N[N-]N=N1	REAL300002589404	0	41	-2.0	-102.99	357.34	4.15	-98.84
COC1=CC(C(=O)[O-])=CC=C1CCNC(=O)CCCC1=NN=N[N-]1	REAL300002589404	1	41	-2.0	-103.01	357.39	4.17	-98.84
COC1=CC(C(=O)[O-])=CC=C1CCNC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300002589439	0	38	-2.0	-93.15	348.19	5.80	-87.35
CCOC1=CC(C(=O)NCCC2=CC=C(C(=O)[O-])C=C2OC)=CC(Cl)=C1[O-]	REAL300002589443	1	45	-2.0	-97.37	399.23	6.83	-90.54
C[N-]S(=O)(=O)C1=CC(C(=O)NCCC2=CC=C(C(=O)[O-])C=C2OC)=CO1	REAL300002589476	1	42	-2.0	-101.92	384.16	1.05	-100.87
COC1=CC(C(=O)[O-])=CC=C1CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300002589636	0	41	-2.0	-88.50	367.93	3.95	-84.55
COC1=CC(C(=O)[O-])=CC=C1CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300002589636	1	41	-2.0	-88.47	368.00	3.96	-84.51
COC1=CC(C(=O)[O-])=CC=C1CCNC(=O)C1=C[N-]N=CC1=O	REAL300002589913	0	36	-2.0	-85.35	319.45	3.85	-81.50
COCC1=NC=C(C(=O)NCCC2=CC=C(C(=O)[O-])C=C2OC)C(=O)[N-]1	REAL300002589946	1	43	-2.0	-92.38	373.29	2.47	-89.91
COC1=CC(C(=O)[O-])=CC=C1CCNC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300002589994	1	46	-2.0	-92.55	387.20	5.36	-87.19
COC1=CC(C(=O)[O-])=CC=C1CCNC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300002590296	0	38	-2.0	-102.02	362.79	7.89	-94.13
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O=C([O-])CCN(CC1=CC=C(F)C(F)=C1)C(=O)CCC1=N[N-]N=N1	REAL300002592764	0	37	-2.0	-92.81	336.58	6.50	-86.31
O=C([O-])CCN(CC1=CC=C(F)C(F)=C1)C(=O)CCC1=NN=N[N-]1	REAL300002592764	1	37	-2.0	-92.85	336.65	6.52	-86.33
O=C([O-])CCN(CC1=CC=C(F)C(F)=C1)C(=O)C1=CN=CC([O-])=C1	REAL300002592845	1	36	-2.0	-109.26	324.72	6.16	-103.10
O=C([O-])CCN(CC1=CC=C(F)C(F)=C1)C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300002592927	1	42	-2.0	-107.14	369.34	11.49	-95.65
O=C([O-])CCN(CC1=CC=C(F)C(F)=C1)C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300002593137	0	37	-2.0	-99.41	343.50	8.27	-91.14
COC1=C(C(=O)N(CCC(=O)[O-])CC2=CC=C(F)C(F)=C2)NC(=O)[N-]C1=O	REAL300002593150	1	40	-2.0	-103.19	367.78	2.67	-100.52
O=C([O-])CCN(CC1=CC=C(F)C(F)=C1)C(=O)CCCC1=N[N-]N=N1	REAL300002593214	0	40	-2.0	-88.51	358.08	7.29	-81.22
O=C([O-])CCN(CC1=CC=C(F)C(F)=C1)C(=O)CCCC1=NN=N[N-]1	REAL300002593214	1	40	-2.0	-88.52	358.14	7.30	-81.22
O=C([O-])CCN(CC1=CC=C(F)C(F)=C1)C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300002593241	0	37	-2.0	-100.01	337.39	8.20	-91.81
O=C([O-])CCN(CC1=CC=C(F)C(F)=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300002593358	0	40	-2.0	-95.39	364.65	8.01	-87.38
O=C([O-])CCN(CC1=CC=C(F)C(F)=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300002593358	1	40	-2.0	-95.41	364.72	8.01	-87.40
O=C([O-])CCN(CC1=CC=C(F)C(F)=C1)C(=O)C1=C[N-]N=CC1=O	REAL300002593520	0	35	-2.0	-96.12	327.81	6.60	-89.52
COCC1=NC=C(C(=O)N(CCC(=O)[O-])CC2=CC=C(F)C(F)=C2)C(=O)[N-]1	REAL300002593538	1	42	-2.0	-106.19	381.78	5.18	-101.01
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(C(=O)NCC(=O)[O-])C=C2)O1	REAL300002595255	1	39	-2.0	-83.72	365.49	-0.57	-84.29
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300002595446	0	42	-2.0	-98.04	373.38	2.73	-95.31
CC1=C(C(=O)NC2=CC=C(C(=O)NCC(=O)[O-])C=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300002595985	1	48	-2.0	-84.41	396.65	4.30	-80.11
COC1=CC=C(C(=O)NC2=CC=C(C(=O)NCC(=O)[O-])C=C2)C([O-])=C1	REAL300002596440	1	39	-2.0	-104.28	339.91	4.41	-99.87
O=C([O-])CNC(=O)C1=CC=C(NC(=O)C2=CC=C([O-])C(F)=C2)C=C1	REAL300002596988	1	35	-2.0	-87.69	318.89	3.67	-84.02
O=C([O-])CNC(=O)C1=CC=C(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C=C1	REAL300002597001	1	38	-2.0	-99.20	349.53	6.10	-93.10
O=C([O-])CNC(=O)C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300002597057	0	35	-2.0	-87.33	316.64	1.72	-85.61
O=C([O-])CNC(=O)C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300002597057	1	35	-2.0	-87.36	316.69	1.73	-85.63
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=N1	REAL300002597137	0	41	-2.0	-89.86	374.42	1.75	-88.11
O=C([O-])CNC(=O)C1=CC=C(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)C=C1	REAL300002597168	1	40	-2.0	-83.37	352.61	3.23	-80.14
O=C([O-])CNC(=O)C1=CC=C(NC(=O)C2=CN=CC([O-])=C2)C=C1	REAL300002597207	1	34	-2.0	-90.45	308.02	1.78	-88.67
O=C([O-])CNC(=O)C1=CC=C(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C=C1	REAL300002597319	0	42	-2.0	-103.21	380.15	4.92	-98.29
O=C([O-])CNC(=O)C1=CC=C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C=C1	REAL300002597365	0	40	-2.0	-102.86	353.31	5.73	-97.13
O=C([O-])CNC(=O)C1=CC=C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C=C1	REAL300002597655	0	35	-2.0	-85.16	334.88	4.22	-80.94
O=C([O-])CNC(=O)C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300002597771	0	38	-2.0	-97.70	338.14	2.51	-95.19
O=C([O-])CNC(=O)C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300002597771	1	38	-2.0	-97.74	338.19	2.52	-95.22
O=C([O-])CNC(=O)C1=CC=C(NC(=O)C2=CC=C([O-])C(Cl)=C2)C=C1	REAL300002597807	0	35	-2.0	-84.41	328.68	4.16	-80.25
CCOC1=CC(C(=O)NC2=CC=C(C(=O)NCC(=O)[O-])C=C2)=CC(Cl)=C1[O-]	REAL300002597811	1	42	-2.0	-88.54	379.72	5.21	-83.33
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=C(C(=O)NCC(=O)[O-])C=C2)=CO1	REAL300002597844	1	39	-2.0	-93.41	364.64	-0.59	-94.00
O=C([O-])CNC(=O)C1=CC=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)C=C1	REAL300002597933	0	43	-2.0	-89.64	377.69	8.08	-81.56
O=C([O-])CNC(=O)C1=CC=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)C=C1	REAL300002597933	1	43	-2.0	-89.69	377.65	8.10	-81.59
O=C([O-])CNC(=O)C1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300002598006	0	38	-2.0	-81.43	348.79	2.30	-79.13
O=C([O-])CNC(=O)C1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300002598006	1	38	-2.0	-81.47	348.72	2.30	-79.17
O=C([O-])CNC(=O)C1=CC=C(NC(=O)C2=C[N-]N=CC2=O)C=C1	REAL300002598283	0	33	-2.0	-77.53	300.25	2.20	-75.33
COCC1=NC=C(C(=O)NC2=CC=C(C(=O)NCC(=O)[O-])C=C2)C(=O)[N-]1	REAL300002598316	1	40	-2.0	-83.90	354.48	0.89	-83.01
O=C([O-])CNC(=O)C1=CC=C(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C=C1	REAL300002598364	1	43	-2.0	-83.94	368.38	3.77	-80.17
O=C([O-])CNC(=O)C1=CC=C(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C=C1	REAL300002598667	0	35	-2.0	-94.72	343.59	6.13	-88.59
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)O1	REAL300002600190	1	39	-2.0	-111.33	368.90	2.08	-109.25
CC1=C(C(=O)NC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300002600830	1	48	-2.0	-111.79	399.93	6.92	-104.87
COC1=CC=C(C(=O)NC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C([O-])=C1	REAL300002601239	1	39	-2.0	-152.58	342.97	7.08	-145.50
O=C([O-])C1=NN(C2=CC(NC(=O)C3=CC=C([O-])C(F)=C3)=CC=C2)C=C1	REAL300002601740	1	35	-2.0	-119.54	322.02	6.33	-113.21
O=C([O-])C1=NN(C2=CC=CC(NC(=O)C3=CC=C(C(F)(F)F)C=C3[O-])=C2)C=C1	REAL300002601754	1	38	-2.0	-142.08	352.61	8.77	-133.31
O=C([O-])C1=NN(C2=CC(NC(=O)CCC3=NN=N[N-]3)=CC=C2)C=C1	REAL300002601812	0	35	-2.0	-99.93	319.77	4.40	-95.53
O=C([O-])C1=NN(C2=CC(NC(=O)CCC3=N[N-]N=N3)=CC=C2)C=C1	REAL300002601812	1	35	-2.0	-99.98	319.71	4.39	-95.59
O=C([O-])C1=NN(C2=CC=CC(NC(=O)C3=CN=C(C4CC4)[N-]C3=O)=C2)C=C1	REAL300002601908	1	40	-2.0	-109.72	355.20	5.82	-103.90
O=C([O-])C1=NN(C2=CC(NC(=O)C3=CN=CC([O-])=C3)=CC=C2)C=C1	REAL300002601936	1	34	-2.0	-129.21	311.12	4.42	-124.79
O=C([O-])C1=NN(C2=CC=CC(NC(=O)C3=C([O-])C4=CC=CC=C4C=N3)=C2)C=C1	REAL300002602077	0	40	-2.0	-150.86	356.06	8.40	-142.46
O=C([O-])C1=NN(C2=CC(NC(=O)C3=CC(F)=C([O-])C(Cl)=C3)=CC=C2)C=C1	REAL300002602351	0	35	-2.0	-119.01	338.29	6.87	-112.14
O=C([O-])C1=NN(C2=CC(NC(=O)CCCC3=NN=N[N-]3)=CC=C2)C=C1	REAL300002602461	0	38	-2.0	-133.25	341.21	5.18	-128.07
O=C([O-])C1=NN(C2=CC(NC(=O)CCCC3=N[N-]N=N3)=CC=C2)C=C1	REAL300002602461	1	38	-2.0	-133.19	341.15	5.17	-128.02
O=C([O-])C1=NN(C2=CC(NC(=O)C3=CC=C([O-])C(Cl)=C3)=CC=C2)C=C1	REAL300002602493	0	35	-2.0	-117.09	331.82	6.83	-110.26
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=CO1	REAL300002602524	1	39	-2.0	-130.75	368.05	2.06	-128.69
O=C([O-])C1=NN(C2=CC=CC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=C2)C=C1	REAL300002602665	0	38	-2.0	-108.63	351.53	4.98	-103.65
O=C([O-])C1=NN(C2=CC=CC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)=C2)C=C1	REAL300002602665	1	38	-2.0	-108.64	351.46	4.98	-103.66
O=C([O-])C1=NN(C2=CC=CC(NC(=O)C3=C[N-]N=CC3=O)=C2)C=C1	REAL300002602913	0	33	-2.0	-110.55	303.34	4.87	-105.68
COCC1=NC=C(C(=O)NC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C(=O)[N-]1	REAL300002602944	1	40	-2.0	-108.59	357.04	3.47	-105.12
O=C([O-])C1=NN(C2=CC=CC(NC(=O)C3=CN=C(C4CCC4)[N-]C3=O)=C2)C=C1	REAL300002602985	1	43	-2.0	-109.72	370.95	6.37	-103.35
O=C([O-])C1=NN(C2=CC=CC(NC(=O)C3=CC(Cl)=CC(Cl)=C3[O-])=C2)C=C1	REAL300002603264	0	35	-2.0	-136.32	346.68	8.80	-127.52
CC1=C(CCC(=O)N2CCOCC2CC(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300002604164	1	52	-2.0	-102.95	401.86	5.41	-97.54
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCOCC2CC(=O)[O-])C=C1	REAL300002604715	1	44	-2.0	-117.62	367.66	8.28	-109.34
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCOCC2CC(=O)[O-])O1	REAL300002605077	1	45	-2.0	-101.60	366.80	2.61	-98.99
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCOCC2CC(=O)[O-])O1	REAL300002605078	1	36	-2.0	-100.35	311.35	0.21	-100.14
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCOCC2CC(=O)[O-])=CS1	REAL300002605576	1	43	-2.0	-124.35	356.25	4.57	-119.78
CC1=C(CC(=O)N2CCOCC2CC(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002605768	1	45	-2.0	-116.06	366.75	3.83	-112.23
O=C([O-])CC1COCCN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300002606557	1	35	-2.0	-126.80	296.82	5.88	-120.92
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCOCC2CC(=O)[O-])C=N1	REAL300002606634	0	38	-2.0	-108.88	320.54	2.11	-106.77
O=C([O-])CC1COCCN1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300002606652	1	37	-2.0	-120.94	299.96	3.46	-117.48
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCOCC3CC(=O)[O-])=N2)=C1	REAL300002606700	0	48	-2.0	-145.76	379.56	7.83	-137.93
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCOCC3CC(=O)[O-])=N2)C=C1	REAL300002606701	0	48	-2.0	-146.46	379.43	7.90	-138.56
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCOCC2CC(=O)[O-])=N1	REAL300002606754	0	42	-2.0	-143.40	345.68	6.98	-136.42
O=C([O-])CC1COCCN1C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300002606759	0	39	-2.0	-143.35	325.70	5.98	-137.37
O=C([O-])CC1COCCN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300002606779	1	37	-2.0	-146.22	298.96	6.44	-139.78
O=C([O-])CC1COCCN1C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300002606797	0	39	-2.0	-104.67	342.45	3.49	-101.18
O=C([O-])CC1COCCN1C(=O)C1=CN=C(I)C([O-])=C1	REAL300002606837	0	31	-2.0	-113.00	281.01	3.13	-109.87
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCOCC3CC(=O)[O-])=N2)=C1	REAL300002606887	0	42	-2.0	-151.86	343.95	6.62	-145.24
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCOCC2CC(=O)[O-])=N1	REAL300002606888	0	45	-2.0	-149.77	360.82	7.69	-142.08
CC1=C(CC(=O)N2CCOCC2CC(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002606930	1	45	-2.0	-114.68	366.93	3.82	-110.86
O=C([O-])CC1COCCN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300002606967	0	32	-2.0	-105.14	281.33	4.65	-100.49
COC1=C(C(=O)N2CCOCC2CC(=O)[O-])NC(=O)[N-]C1=O	REAL300002606973	1	35	-2.0	-104.74	295.14	-1.30	-106.04
CCOC1=CC(C(=O)N2CCOCC2CC(=O)[O-])=CC(Cl)=C1[O-]	REAL300002607050	1	39	-2.0	-110.15	326.18	5.63	-104.52
O=C([O-])CC1COCCN1C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300002607053	0	42	-2.0	-151.55	339.38	6.88	-144.67
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCOCC3CC(=O)[O-])=N2)C=C1	REAL300002607058	0	43	-2.0	-145.97	348.72	5.27	-140.70
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCOCC2CC(=O)[O-])=CO1	REAL300002607069	1	36	-2.0	-115.61	310.50	0.07	-115.54
O=C([O-])CC1COCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300002607174	0	35	-2.0	-96.80	294.40	3.53	-93.27
O=C([O-])CC1COCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300002607174	1	35	-2.0	-96.78	294.47	3.53	-93.25
COCC1=NC=C(C(=O)N2CCOCC2CC(=O)[O-])C(=O)[N-]1	REAL300002607390	1	37	-2.0	-119.75	301.81	1.11	-118.64
O=C([O-])CC1COCCN1C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300002607426	1	40	-2.0	-122.46	316.82	4.04	-118.42
O=C([O-])CC1COCCN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300002607621	0	32	-2.0	-122.60	290.77	5.89	-116.71
COCCC(NC(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O)C(=O)[O-]	REAL300002608255	1	51	-2.0	-104.23	416.69	4.51	-99.72
COCCC(NC(=O)C1=CC(C)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300002608600	0	41	-2.0	-113.75	359.10	2.29	-111.46
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CCOC)C(=O)[O-]	REAL300002608905	0	41	-2.0	-114.76	359.18	2.50	-112.26
COCCC(NC(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1)C(=O)[O-]	REAL300002608952	1	43	-2.0	-125.85	381.16	7.43	-118.42
COCCC(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300002609135	1	45	-2.0	-105.60	398.26	4.51	-101.09
COCCC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300002609136	1	45	-2.0	-110.37	398.20	4.56	-105.81
COCCC(NC(=O)C1=CC=C([N-]S(=O)(=O)C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300002609149	0	41	-2.0	-90.26	379.69	2.68	-87.58
COCCC(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300002609379	0	42	-2.0	-106.75	389.35	3.55	-103.20
COCCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300002609398	1	44	-2.0	-96.29	384.77	0.75	-95.54
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CCOC)C(=O)[O-])O1	REAL300002609399	1	35	-2.0	-95.18	329.31	-1.65	-96.83
COCCC(NC(=O)C1=CC(NC(C)=O)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300002609634	0	45	-2.0	-118.92	392.96	0.54	-118.38
COCCC(NC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300002609678	0	38	-2.0	-113.12	337.71	1.60	-111.52
COCCC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C(=O)[O-]	REAL300002609686	0	42	-2.0	-108.48	390.37	3.52	-104.96
COCCC(NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1)C(=O)[O-]	REAL300002610039	1	42	-2.0	-108.87	371.07	2.75	-106.12
COCCC(NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300002610258	0	38	-2.0	-105.84	343.29	1.72	-104.12
COCCC(NC(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O)C(=O)[O-]	REAL300002610265	1	44	-2.0	-113.14	381.92	2.94	-110.20
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CCOC)C(=O)[O-]	REAL300002610270	0	44	-2.0	-115.51	379.84	3.34	-112.17
COCCC(NC(=O)C1=C(C)N=C(C(C)(C)C)[N-]C1=O)C(=O)[O-]	REAL300002610333	1	44	-2.0	-109.65	361.63	3.17	-106.48
COCCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300002610430	1	45	-2.0	-99.02	397.59	4.53	-94.49
COCCC(NC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300002610987	0	44	-2.0	-117.84	383.59	3.87	-113.97
COCCC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300002611163	1	34	-2.0	-115.35	313.03	5.12	-110.23
COCCC(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300002611254	0	37	-2.0	-102.36	338.76	0.63	-101.73
COCCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300002611316	1	44	-2.0	-95.19	392.63	2.75	-92.44
COCCC(NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-])C(=O)[O-]	REAL300002611331	0	47	-2.0	-129.84	398.11	5.74	-124.10
COCCC(NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])C(=O)[O-]	REAL300002611332	0	47	-2.0	-128.09	398.29	5.67	-122.42
COCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-])C(=O)[O-]	REAL300002611400	0	41	-2.0	-124.73	365.82	4.76	-119.97
COCCC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300002611404	0	38	-2.0	-125.49	344.51	3.81	-121.68
COCCC(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(=O)[O-]	REAL300002611426	1	36	-2.0	-130.38	317.42	4.76	-125.62
COCCC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300002611444	0	38	-2.0	-94.58	359.15	1.96	-92.62
COCCC(NC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300002611486	0	30	-2.0	-97.72	298.39	1.69	-96.03
COCCC(NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-])C(=O)[O-]	REAL300002611538	0	41	-2.0	-132.72	362.60	4.47	-128.25
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CCOC)C(=O)[O-])=N1	REAL300002611539	0	44	-2.0	-131.31	379.36	5.48	-125.83
COCCC(NC(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O)C(=O)[O-]	REAL300002611584	1	44	-2.0	-111.47	382.03	2.84	-108.63
COCCC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300002611619	0	31	-2.0	-95.31	299.52	3.11	-92.20
COCCC(NC(=O)C1=C(OC)C(=O)[N-]C(=O)N1)C(=O)[O-]	REAL300002611623	1	34	-2.0	-97.59	305.42	-1.77	-99.36
CCOC1=CC(C(=O)NC(CCOC)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300002611708	1	38	-2.0	-100.54	344.37	4.09	-96.45
COCCC(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300002611712	0	41	-2.0	-133.69	367.99	5.18	-128.51
COCCC(NC(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-])C(=O)[O-]	REAL300002611720	0	42	-2.0	-128.01	366.74	3.10	-124.91
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CCOC)C(=O)[O-])=CO1	REAL300002611738	1	35	-2.0	-101.26	329.29	-1.71	-102.97
COCCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300002611858	0	34	-2.0	-89.69	313.06	1.17	-88.52
COCCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300002611858	1	34	-2.0	-89.70	313.13	1.19	-88.51
COCCC(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(=O)[O-]	REAL300002612134	1	39	-2.0	-108.71	332.40	2.58	-106.13
COCCC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300002612355	0	31	-2.0	-111.36	307.92	5.10	-106.26
COCCC(NC(=O)C1=C(C)N=C(C2=CC=CO2)[N-]C1=O)C(=O)[O-]	REAL300002612590	0	39	-2.0	-112.58	342.10	2.17	-110.41
CC1=C(CCC(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300002613223	1	51	-2.0	-111.72	403.05	6.69	-105.03
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300002613752	1	43	-2.0	-112.69	366.00	9.53	-103.16
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300002613899	1	45	-2.0	-109.02	384.37	6.70	-102.32
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300002613900	1	45	-2.0	-118.07	384.82	6.95	-111.12
CC1=CC(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300002613911	0	41	-2.0	-98.50	365.02	5.10	-93.40
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300002614095	0	42	-2.0	-113.42	375.57	5.74	-107.68
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])O1	REAL300002614112	1	44	-2.0	-107.90	371.06	3.11	-104.79
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])O1	REAL300002614113	1	35	-2.0	-106.27	315.61	0.69	-105.58
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300002614341	0	42	-2.0	-116.00	376.75	5.96	-110.04
CC(C)C(=O)[N-]C1=NC(CC(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CS1	REAL300002614595	1	42	-2.0	-111.70	357.20	5.11	-106.59
CC1=C(CC(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002614767	1	44	-2.0	-106.80	368.02	5.07	-101.73
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300002614896	1	45	-2.0	-96.98	384.55	6.69	-90.29
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300002615428	1	34	-2.0	-106.04	300.07	7.23	-98.81
CS(=O)(=O)[N-]C1=CC=C(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=N1	REAL300002615494	0	37	-2.0	-112.13	324.06	3.05	-109.08
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300002615539	1	44	-2.0	-92.80	379.59	4.91	-87.89
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N[C@H]3CCC[C@H]3C(=O)[O-])=N2)=C1	REAL300002615553	0	47	-2.0	-143.82	383.61	8.09	-135.73
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N[C@H]3CCC[C@H]3C(=O)[O-])=N2)C=C1	REAL300002615554	0	47	-2.0	-141.65	383.60	8.09	-133.56
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=N1	REAL300002615601	0	41	-2.0	-121.41	352.18	6.95	-114.46
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300002615605	0	38	-2.0	-140.36	329.81	6.24	-134.12
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300002615620	1	36	-2.0	-142.01	303.11	7.07	-134.94
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300002615636	0	38	-2.0	-100.71	346.36	4.39	-96.32
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=CN=C(I)C([O-])=C1	REAL300002615666	0	30	-2.0	-105.84	285.56	4.12	-101.72
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@H]3CCC[C@H]3C(=O)[O-])=N2)=C1	REAL300002615698	0	41	-2.0	-146.48	348.16	6.82	-139.66
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=N1	REAL300002615699	0	44	-2.0	-128.89	365.61	7.67	-121.22
CC1=C(CC(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002615724	1	44	-2.0	-113.23	367.39	5.34	-107.89
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300002615749	0	31	-2.0	-103.33	284.86	5.50	-97.83
CCOC1=CC(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300002615807	1	38	-2.0	-109.54	329.68	6.47	-103.07
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300002615810	0	41	-2.0	-147.48	353.31	7.61	-139.87
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@H]3CCC[C@H]3C(=O)[O-])=N2)C=C1	REAL300002615814	0	42	-2.0	-140.88	352.88	5.47	-135.41
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CO1	REAL300002615824	1	35	-2.0	-90.63	312.67	0.53	-90.10
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300002615918	0	34	-2.0	-91.03	296.43	3.44	-87.59
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300002615918	1	34	-2.0	-91.00	296.50	3.44	-87.56
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300002616117	1	39	-2.0	-118.78	318.04	4.95	-113.83
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300002616270	0	31	-2.0	-119.76	293.23	7.52	-112.24
CC1=C(CCC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300002616770	1	48	-2.0	-100.10	389.73	5.57	-94.53
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300002617084	0	38	-2.0	-98.51	331.57	3.39	-95.12
O=C([O-])[C@H]1C[C@@H](NC(=O)C2=CC=CC(S(=O)(=O)[N-]C3=CC=C(F)C=C3)=C2)C1	REAL300002617331	1	42	-2.0	-94.82	377.35	5.63	-89.19
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300002617374	0	38	-2.0	-99.34	331.60	3.59	-95.75
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300002617412	1	40	-2.0	-106.54	353.96	8.53	-98.01
O=C([O-])[C@H]1C[C@@H](NC(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C=C3)C=C2)C1	REAL300002617462	1	42	-2.0	-91.38	377.44	5.66	-85.72
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300002617464	1	45	-2.0	-93.28	391.11	6.35	-86.93
O=C([O-])[C@H]1C[C@@H](NC(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3)C=C2)C1	REAL300002617579	1	42	-2.0	-97.84	371.04	5.60	-92.24
O=C([O-])[C@H]1C[C@@H](NC(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)C1	REAL300002617580	1	42	-2.0	-99.77	371.22	5.58	-94.19
CC1=CC(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300002617591	0	38	-2.0	-82.95	352.51	3.78	-79.17
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=C2)C=C1	REAL300002617711	1	45	-2.0	-94.03	392.26	6.26	-87.77
O=C([O-])[C@H]1C[C@@H](NC(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CS3)C=C2)C1	REAL300002617793	0	39	-2.0	-96.31	362.96	4.60	-91.71
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)O1	REAL300002617810	1	41	-2.0	-92.32	357.68	1.83	-90.49
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)O1	REAL300002617811	1	32	-2.0	-91.51	302.92	-0.60	-92.11
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=C2)C=C1	REAL300002617920	1	45	-2.0	-101.32	392.33	6.25	-95.07
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=C2)=C1	REAL300002617957	1	45	-2.0	-102.12	392.67	6.24	-95.88
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300002618028	0	42	-2.0	-104.76	366.61	1.60	-103.16
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300002618076	0	35	-2.0	-97.99	310.13	2.70	-95.29
O=C([O-])[C@H]1C[C@@H](NC(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CS3)=C2)C1	REAL300002618085	0	39	-2.0	-98.17	363.15	4.59	-93.58
O=C([O-])[C@H]1C[C@@H](NC(=O)CC2=CC=C([N-]S(=O)(=O)C3=CC=CS3)C=C2)C1	REAL300002618086	0	42	-2.0	-103.79	387.81	5.27	-98.52
CC(C)C(=O)[N-]C1=NC(CC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=CS1	REAL300002618388	1	39	-2.0	-97.67	344.66	3.81	-93.86
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300002618561	0	35	-2.0	-92.72	316.94	2.77	-89.95
CC1=C(CC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002618570	1	41	-2.0	-102.65	354.62	3.96	-98.69
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300002618575	0	41	-2.0	-99.96	353.14	4.40	-95.56
CC1=C(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300002618625	1	41	-2.0	-99.06	334.30	4.21	-94.85
O=C([O-])[C@H]1C[C@@H](NC(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3)C=C2)C1	REAL300002618731	1	42	-2.0	-93.35	371.22	5.58	-87.77
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300002619147	0	41	-2.0	-102.84	356.41	4.96	-97.88
O=C([O-])[C@H]1C[C@@H](NC(=O)C2=CC(Br)=C([O-])C(Br)=C2)C1	REAL300002619228	0	28	-2.0	-84.84	290.52	4.91	-79.93
O=C([O-])[C@H]1C[C@@H](NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300002619281	1	31	-2.0	-98.06	286.29	6.16	-91.90
CS(=O)(=O)[N-]C1=CC=C(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=N1	REAL300002619357	0	34	-2.0	-95.43	311.24	1.73	-93.70
O=C([O-])[C@H]1C[C@@H](NC(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=NC=C3)C=C2)C1	REAL300002619410	1	41	-2.0	-89.61	365.91	3.82	-85.79
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=N2)=C1	REAL300002619425	0	44	-2.0	-112.08	371.15	6.79	-105.29
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=N2)C=C1	REAL300002619426	0	44	-2.0	-110.72	371.11	6.79	-103.93
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=N1	REAL300002619480	0	38	-2.0	-107.25	338.22	5.89	-101.36
O=C([O-])[C@H]1C[C@@H](NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1	REAL300002619483	0	35	-2.0	-108.31	317.32	4.93	-103.38
O=C([O-])[C@H]1C[C@@H](NC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)C1	REAL300002619511	0	35	-2.0	-84.52	332.75	3.03	-81.49
O=C([O-])[C@H]1C[C@@H](NC(=O)C2=CN=C(I)C([O-])=C2)C1	REAL300002619542	0	27	-2.0	-88.04	271.64	2.76	-85.28
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=N2)=C1	REAL300002619578	0	38	-2.0	-114.58	335.27	5.52	-109.06
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=N1	REAL300002619579	0	41	-2.0	-113.24	352.07	6.61	-106.63
CC1=C(CC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002619602	1	41	-2.0	-101.16	354.80	3.95	-97.21
CCOC1=CC(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300002619671	1	35	-2.0	-92.87	316.85	5.18	-87.69
O=C([O-])[C@H]1C[C@@H](NC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])C1	REAL300002619675	0	38	-2.0	-116.08	340.41	6.29	-109.79
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=N2)C=C1	REAL300002619681	0	39	-2.0	-110.64	340.00	4.17	-106.47
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=CO1	REAL300002619696	1	32	-2.0	-92.82	302.10	-0.61	-93.43
O=C([O-])[C@H]1C[C@@H](NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300002620136	0	28	-2.0	-94.86	280.35	6.20	-88.66
CC1=C(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300002620306	0	36	-2.0	-101.64	314.79	3.28	-98.36
CC1=C(CCC(=O)NC(CC2CC2)C(=O)[O-])C(=O)NC(N2CCOCC2)=N1	REAL300002620650	0	51	-2.0	-105.83	415.15	6.90	-98.93
CC1=C(CCC(=O)NC(CC2CC2)C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300002620650	1	51	-2.0	-105.83	415.15	6.90	-98.93
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300002621179	1	43	-2.0	-114.12	379.98	9.79	-104.33
O=C([O-])C(CC1CC1)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300002621326	1	45	-2.0	-106.75	395.35	7.04	-99.71
O=C([O-])C(CC1CC1)NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300002621327	1	45	-2.0	-112.03	395.54	7.03	-105.00
CC1=CC(C(=O)NC(CC2CC2)C(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300002621338	0	41	-2.0	-91.24	376.79	5.22	-86.02
O=C([O-])C(CC1CC1)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300002621522	0	42	-2.0	-105.25	388.12	6.01	-99.24
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC2CC2)C(=O)[O-])O1	REAL300002621539	1	44	-2.0	-97.48	383.55	3.20	-94.28
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC2CC2)C(=O)[O-])O1	REAL300002621540	1	35	-2.0	-96.36	328.09	0.80	-95.56
O=C([O-])C(CC1CC1)NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300002621768	0	42	-2.0	-110.23	388.31	5.99	-104.24
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(CC2CC2)C(=O)[O-])=CS1	REAL300002622022	1	42	-2.0	-111.09	369.82	5.20	-105.89
CC1=C(CC(=O)NC(CC2CC2)C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002622194	1	44	-2.0	-116.14	380.69	5.39	-110.75
O=C([O-])C(CC1CC1)NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300002622323	1	45	-2.0	-99.83	395.53	7.02	-92.81
O=C([O-])C(CC1CC1)NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300002622855	1	34	-2.0	-117.93	311.78	7.55	-110.38
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(CC2CC2)C(=O)[O-])C=N1	REAL300002622921	0	37	-2.0	-103.29	336.96	3.07	-100.22
O=C([O-])C(CC1CC1)NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300002622966	1	44	-2.0	-96.21	391.41	5.21	-91.00
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC(CC3CC3)C(=O)[O-])=N2)=C1	REAL300002622980	0	47	-2.0	-132.96	395.47	8.21	-124.75
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(CC3CC3)C(=O)[O-])=N2)C=C1	REAL300002622981	0	47	-2.0	-131.27	396.49	8.11	-123.16
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(CC2CC2)C(=O)[O-])=N1	REAL300002623028	0	41	-2.0	-127.83	364.29	7.16	-120.67
O=C([O-])C(CC1CC1)NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300002623032	0	38	-2.0	-128.55	342.44	6.30	-122.25
O=C([O-])C(CC1CC1)NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300002623047	1	36	-2.0	-133.74	316.11	7.06	-126.68
O=C([O-])C(CC1CC1)NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300002623063	0	38	-2.0	-96.11	357.91	4.43	-91.68
O=C([O-])C(CC1CC1)NC(=O)C1=CN=C(I)C([O-])=C1	REAL300002623093	0	30	-2.0	-99.34	297.67	4.02	-95.32
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(CC3CC3)C(=O)[O-])=N2)=C1	REAL300002623125	0	41	-2.0	-135.78	361.29	6.78	-129.00
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CC2CC2)C(=O)[O-])=N1	REAL300002623126	0	44	-2.0	-133.85	370.59	7.98	-125.87
CC1=C(CC(=O)NC(CC2CC2)C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002623151	1	44	-2.0	-113.32	379.13	5.38	-107.94
O=C([O-])C(CC1CC1)NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300002623176	0	31	-2.0	-97.01	297.46	5.59	-91.42
CCOC1=CC(C(=O)NC(CC2CC2)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300002623234	1	38	-2.0	-101.72	342.57	6.52	-95.20
O=C([O-])C(CC1CC1)NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300002623237	0	41	-2.0	-136.56	366.44	7.56	-129.00
COC1=CC=C(N2C=C([O-])C(C(=O)NC(CC3CC3)C(=O)[O-])=N2)C=C1	REAL300002623241	0	42	-2.0	-130.95	365.78	5.49	-125.46
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CC2CC2)C(=O)[O-])=CO1	REAL300002623251	1	35	-2.0	-102.43	326.39	0.81	-101.62
O=C([O-])C(CC1CC1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300002623345	0	34	-2.0	-90.22	311.27	3.62	-86.60
O=C([O-])C(CC1CC1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300002623345	1	34	-2.0	-90.22	311.33	3.62	-86.60
O=C([O-])C(CC1CC1)NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300002623544	1	39	-2.0	-110.06	330.70	4.97	-105.09
O=C([O-])C(CC1CC1)NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300002623697	0	31	-2.0	-114.05	306.13	7.54	-106.51
CC1=C(CCC(=O)N2CCC(CC(=O)[O-])CC2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300002645999	1	54	-2.0	-100.44	417.24	7.87	-92.57
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC(CC(=O)[O-])CC2)=C1	REAL300002646352	0	44	-2.0	-100.33	362.55	5.23	-95.10
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(CC(=O)[O-])CC1	REAL300002646664	0	44	-2.0	-100.93	361.55	5.39	-95.54
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCC(CC(=O)[O-])CC2)C=C1	REAL300002646714	1	46	-2.0	-100.56	381.44	10.79	-89.77
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(CC(=O)[O-])CC2)O1	REAL300002647166	1	47	-2.0	-98.29	382.79	4.00	-94.29
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(CC(=O)[O-])CC2)O1	REAL300002647167	1	38	-2.0	-97.55	327.34	1.60	-95.95
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC(CC(=O)[O-])CC2)=C1	REAL300002647398	0	48	-2.0	-107.23	397.30	3.44	-103.79
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(CC(=O)[O-])CC1	REAL300002647444	0	41	-2.0	-100.61	340.11	4.49	-96.12
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC(CC(=O)[O-])CC2)=CS1	REAL300002647818	1	45	-2.0	-95.01	372.14	6.12	-88.89
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCC(CC(=O)[O-])CC1	REAL300002648053	0	41	-2.0	-94.27	347.58	4.62	-89.65
CC1=C(CC(=O)N2CCC(CC(=O)[O-])CC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002648058	1	47	-2.0	-101.38	383.00	6.34	-95.04
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(CC(=O)[O-])CC1	REAL300002648062	0	47	-2.0	-101.53	383.06	6.19	-95.34
CC1=C(C(=O)N2CCC(CC(=O)[O-])CC2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300002648133	1	47	-2.0	-104.94	370.71	5.85	-99.09
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)N1CCC(CC(=O)[O-])CC1	REAL300002648883	0	47	-2.0	-104.82	385.97	6.75	-98.07
O=C([O-])CC1CCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CC1	REAL300002649078	1	37	-2.0	-98.90	315.71	7.38	-91.52
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC(CC(=O)[O-])CC2)C=N1	REAL300002649177	0	40	-2.0	-97.49	339.33	3.61	-93.88
O=C([O-])CC1CCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)CC1	REAL300002649208	1	39	-2.0	-99.60	322.57	5.03	-94.57
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC(CC(=O)[O-])CC3)=N2)=C1	REAL300002649262	0	50	-2.0	-111.85	395.28	9.26	-102.59
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC(CC(=O)[O-])CC3)=N2)C=C1	REAL300002649263	0	50	-2.0	-111.05	395.34	9.28	-101.77
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC(CC(=O)[O-])CC2)=N1	REAL300002649339	0	44	-2.0	-109.21	367.51	7.82	-101.39
O=C([O-])CC1CCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CC1	REAL300002649344	0	41	-2.0	-106.31	341.49	7.42	-98.89
O=C([O-])CC1CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)CC1	REAL300002649368	1	39	-2.0	-109.02	314.92	8.52	-100.50
O=C([O-])CC1CCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)CC1	REAL300002649388	0	41	-2.0	-85.54	360.68	4.99	-80.55
O=C([O-])CC1CCN(C(=O)C2=CN=C(I)C([O-])=C2)CC1	REAL300002649437	0	33	-2.0	-89.54	299.76	4.63	-84.91
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC(CC(=O)[O-])CC3)=N2)=C1	REAL300002649500	0	44	-2.0	-113.18	359.83	7.99	-105.19
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC(CC(=O)[O-])CC2)=N1	REAL300002649501	0	47	-2.0	-112.74	381.51	8.53	-104.21
CC1=C(CC(=O)N2CCC(CC(=O)[O-])CC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002649561	1	47	-2.0	-99.85	383.18	6.33	-93.52
O=C([O-])CC1CCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)CC1	REAL300002649604	0	34	-2.0	-87.71	298.47	6.11	-81.60
COC1=C(C(=O)N2CCC(CC(=O)[O-])CC2)NC(=O)[N-]C1=O	REAL300002649612	1	37	-2.0	-88.76	311.81	0.08	-88.68
CCOC1=CC(C(=O)N2CCC(CC(=O)[O-])CC2)=CC(Cl)=C1[O-]	REAL300002649719	1	41	-2.0	-94.64	344.55	7.12	-87.52
O=C([O-])CC1CCN(C(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])CC1	REAL300002649723	0	44	-2.0	-115.28	370.08	8.25	-107.03
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC(CC(=O)[O-])CC3)=N2)C=C1	REAL300002649731	0	45	-2.0	-109.16	364.91	6.69	-102.47
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(CC(=O)[O-])CC2)=CO1	REAL300002649751	1	38	-2.0	-88.13	326.42	1.39	-86.74
O=C([O-])CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300002649882	0	37	-2.0	-86.55	310.40	5.05	-81.50
O=C([O-])CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300002649882	1	37	-2.0	-86.46	310.47	5.05	-81.41
COCC1=NC=C(C(=O)N2CCC(CC(=O)[O-])CC2)C(=O)[N-]1	REAL300002650154	1	39	-2.0	-97.65	319.27	2.57	-95.08
O=C([O-])CC1CCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)CC1	REAL300002650193	1	42	-2.0	-99.28	338.42	5.58	-93.70
O=C([O-])CC1CCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300002650454	0	34	-2.0	-95.45	310.25	6.88	-88.57
CC1=C(C(=O)N2CCC(CC(=O)[O-])CC2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300002650715	0	42	-2.0	-108.06	350.42	5.29	-102.77
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC=C(C(C)C(=O)[O-])C=C2)=C1	REAL300002651580	1	44	-2.0	-109.18	376.67	6.09	-103.09
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(C(C)C(=O)[O-])C=C1	REAL300002651878	1	44	-2.0	-110.64	377.59	6.30	-104.34
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2=CC=C(C(C)C(=O)[O-])C=C2)C=C1	REAL300002651923	1	46	-2.0	-117.68	399.47	11.23	-106.45
CC(C(=O)[O-])C1=CC=C(NC(=O)C2=CC=C(S(=O)(=O)[N-]C(C)(C)C)O2)C=C1	REAL300002652353	1	47	-2.0	-88.99	402.18	4.55	-84.44
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(C(C)C(=O)[O-])C=C2)O1	REAL300002652354	1	38	-2.0	-88.47	347.42	2.11	-86.36
CC(C(=O)[O-])C1=CC=C(NC(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)C=C1	REAL300002652623	0	41	-2.0	-109.07	356.12	5.41	-103.66
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=CC=C(C(C)C(=O)[O-])C=C2)=CS1	REAL300002652973	1	45	-2.0	-103.69	389.17	6.53	-97.16
CC(C(=O)[O-])C1=CC=C(NC(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)C=C1	REAL300002653209	0	41	-2.0	-95.25	361.67	5.47	-89.78
CC1=C(CC(=O)NC2=CC=C(C(C)C(=O)[O-])C=C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002653212	1	47	-2.0	-106.89	400.03	6.71	-100.18
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(C(C)C(=O)[O-])C=C1	REAL300002653215	1	47	-2.0	-110.85	398.24	7.09	-103.76
CC1=C(C(=O)NC2=CC=C(C(C)C(=O)[O-])C=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300002653296	1	47	-2.0	-95.69	380.09	6.89	-88.80
COC1=CC=C(C(=O)NC2=CC=C(C(C)C(=O)[O-])C=C2)C([O-])=C1	REAL300002653802	1	38	-2.0	-112.54	322.96	7.10	-105.44
CC(C(=O)[O-])C1=CC=C(NC(=O)C2=CC=C([O-])C(F)=C2)C=C1	REAL300002654356	1	34	-2.0	-91.99	301.07	6.33	-85.66
CC(C(=O)[O-])C1=CC=C(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C=C1	REAL300002654367	1	37	-2.0	-112.37	332.27	8.78	-103.59
CC(C(=O)[O-])C1=CC=C(NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C=C1	REAL300002654474	0	40	-2.0	-97.94	356.32	4.43	-93.51
CC(C(=O)[O-])C1=CC=C(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)C=C1	REAL300002654510	1	39	-2.0	-94.87	333.92	5.85	-89.02
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3=CC=C(C(C)C(=O)[O-])C=C3)=N2)=C1	REAL300002654568	0	50	-2.0	-114.14	416.74	9.47	-104.67
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(C(C)C(=O)[O-])C=C3)=N2)C=C1	REAL300002654569	0	50	-2.0	-113.07	416.67	9.47	-103.60
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(C(C)C(=O)[O-])C=C2)=N1	REAL300002654664	0	44	-2.0	-109.89	383.31	8.57	-101.32
CC(C(=O)[O-])C1=CC=C(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C=C1	REAL300002654669	0	41	-2.0	-111.75	362.88	7.61	-104.14
CC(C(=O)[O-])C1=CC=C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C=C1	REAL300002654707	0	39	-2.0	-120.93	335.22	8.41	-112.52
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC=C(C(C)C(=O)[O-])C=C3)=N2)=C1	REAL300002654873	0	44	-2.0	-117.78	381.23	8.20	-109.58
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(C(C)C(=O)[O-])C=C2)=N1	REAL300002654874	0	47	-2.0	-115.32	396.74	9.29	-106.03
CC1=C(CC(=O)NC2=CC=C(C(C)C(=O)[O-])C=C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002654951	1	47	-2.0	-105.25	399.30	6.66	-98.59
CC(C(=O)[O-])C1=CC=C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C=C1	REAL300002655011	0	34	-2.0	-89.45	317.08	6.88	-82.57
CC(C(=O)[O-])C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300002655128	0	37	-2.0	-99.60	319.74	5.19	-94.41
CC(C(=O)[O-])C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300002655128	1	37	-2.0	-99.61	319.80	5.20	-94.41
CC(C(=O)[O-])C1=CC=C(NC(=O)C2=CC=C([O-])C(Cl)=C2)C=C1	REAL300002655164	0	34	-2.0	-89.06	310.87	6.82	-82.24
CCOC1=CC(C(=O)NC2=CC=C(C(C)C(=O)[O-])C=C2)=CC(Cl)=C1[O-]	REAL300002655167	1	41	-2.0	-97.64	361.94	7.86	-89.78
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(C(C)C(=O)[O-])C=C3)=N2)C=C1	REAL300002655177	0	45	-2.0	-113.04	385.95	6.85	-106.19
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=C(C(C)C(=O)[O-])C=C2)=CO1	REAL300002655201	1	38	-2.0	-97.46	346.84	2.08	-95.38
CC(C(=O)[O-])C1=CC=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)C=C1	REAL300002655293	0	42	-2.0	-98.87	360.11	10.76	-88.11
CC(C(=O)[O-])C1=CC=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)C=C1	REAL300002655293	1	42	-2.0	-105.22	360.43	10.80	-94.42
CC(C(=O)[O-])C1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300002655367	0	37	-2.0	-84.80	331.16	4.99	-79.81
CC(C(=O)[O-])C1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300002655367	1	37	-2.0	-84.79	331.23	4.98	-79.81
CC(C(=O)[O-])C1=CC=C(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C=C1	REAL300002656068	0	34	-2.0	-107.60	326.33	8.82	-98.78
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2C[C@@H](C(=O)[O-])[C@@H](C3=CC=CC=C3)C2)O1	REAL300002662164	1	42	-2.0	-99.83	364.10	3.52	-96.31
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1C[C@@H](C(=O)[O-])[C@@H](C2=CC=CC=C2)C1	REAL300002662356	0	45	-2.0	-101.80	371.95	6.34	-95.46
CC1=C(C(=O)N2C[C@@H](C(=O)[O-])[C@@H](C3=CC=CC=C3)C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300002662908	1	51	-2.0	-106.25	410.61	7.79	-98.46
O=C([O-])[C@@H]1CN(C(=O)C2=CC=C([O-])C(F)=C2)C[C@@H]1C1=CC=CC=C1	REAL300002663909	1	38	-2.0	-95.16	316.80	7.31	-87.85
O=C([O-])[C@@H]1CN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C[C@@H]1C1=CC=CC=C1	REAL300002663922	1	41	-2.0	-102.73	350.29	9.48	-93.25
O=C([O-])[C@@H]1CN(C(=O)CCC2=N[N-]N=N2)C[C@@H]1C1=CC=CC=C1	REAL300002663976	0	38	-2.0	-88.54	318.83	5.83	-82.71
O=C([O-])[C@@H]1CN(C(=O)CCC2=NN=N[N-]2)C[C@@H]1C1=CC=CC=C1	REAL300002663976	1	38	-2.0	-88.51	318.88	5.85	-82.66
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2C[C@@H](C(=O)[O-])[C@@H](C3=CC=CC=C3)C2)C=N1	REAL300002664057	0	44	-2.0	-95.63	373.42	5.43	-90.20
O=C([O-])[C@@H]1CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C[C@@H]1C1=CC=CC=C1	REAL300002664088	1	43	-2.0	-102.94	354.16	6.75	-96.19
O=C([O-])[C@@H]1CN(C(=O)C2=CN=CC([O-])=C2)C[C@@H]1C1=CC=CC=C1	REAL300002664128	1	37	-2.0	-92.41	306.57	5.36	-87.05
O=C([O-])[C@@H]1CN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C[C@@H]1C1=CC=CC=C1	REAL300002664243	0	45	-2.0	-110.75	378.42	9.24	-101.51
O=C([O-])[C@@H]1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C[C@@H]1C1=CC=CC=C1	REAL300002664289	1	43	-2.0	-115.05	351.71	10.39	-104.66
O=C([O-])[C@@H]1CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C[C@@H]1C1=CC=CC=C1	REAL300002664576	0	38	-2.0	-91.07	334.51	7.88	-83.19
COC1=C(C(=O)N2C[C@@H](C(=O)[O-])[C@@H](C3=CC=CC=C3)C2)NC(=O)[N-]C1=O	REAL300002664594	1	41	-2.0	-93.29	341.37	3.41	-89.88
O=C([O-])[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@@H]1C1=CC=CC=C1	REAL300002664692	0	41	-2.0	-91.00	340.32	6.61	-84.39
O=C([O-])[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@@H]1C1=CC=CC=C1	REAL300002664692	1	41	-2.0	-91.03	340.38	6.63	-84.40
O=C([O-])[C@@H]1CN(C(=O)C2=CC=C([O-])C(Cl)=C2)C[C@@H]1C1=CC=CC=C1	REAL300002664728	0	38	-2.0	-91.69	326.61	7.78	-83.91
CCOC1=CC(C(=O)N2C[C@@H](C(=O)[O-])[C@@H](C3=CC=CC=C3)C2)=CC(Cl)=C1[O-]	REAL300002664732	1	45	-2.0	-96.13	377.59	8.82	-87.31
C[N-]S(=O)(=O)C1=CC(C(=O)N2C[C@@H](C(=O)[O-])[C@@H](C3=CC=CC=C3)C2)=CO1	REAL300002664765	1	42	-2.0	-97.36	361.63	3.14	-94.22
O=C([O-])[C@@H]1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@@H]1C1=CC=CC=C1	REAL300002664928	0	41	-2.0	-84.74	346.70	6.83	-77.91
O=C([O-])[C@@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@@H]1C1=CC=CC=C1	REAL300002664928	1	41	-2.0	-84.67	346.76	6.84	-77.83
O=C([O-])[C@@H]1CN(C(=O)C2=C[N-]N=CC2=O)C[C@@H]1C1=CC=CC=C1	REAL300002665210	0	36	-2.0	-92.89	308.86	5.94	-86.95
COCC1=NC=C(C(=O)N2C[C@@H](C(=O)[O-])[C@@H](C3=CC=CC=C3)C2)C(=O)[N-]1	REAL300002665244	1	43	-2.0	-101.43	356.26	4.34	-97.09
O=C([O-])[C@@H]1CN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C[C@@H]1C1=CC=CC=C1	REAL300002665292	1	46	-2.0	-101.85	367.51	7.40	-94.45
O=C([O-])[C@@H]1CN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C[C@@H]1C1=CC=CC=C1	REAL300002665597	0	38	-2.0	-99.47	344.34	9.54	-89.93
CC1=CC=C(NS(C)(=O)=O)C(C(=O)NC2=CC=CC(C(C)C(=O)[O-])=C2)=C1	REAL300002666823	0	44	-2.0	-108.02	377.76	6.13	-101.89
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC=CC(C(C)C(=O)[O-])=C2)=C1	REAL300002666823	1	44	-2.0	-108.02	377.76	6.13	-101.89
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=CC(C(C)C(=O)[O-])=C1	REAL300002667121	1	44	-2.0	-102.80	377.60	6.30	-96.50
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2=CC=CC(C(C)C(=O)[O-])=C2)C=C1	REAL300002667166	1	46	-2.0	-104.89	399.44	11.23	-93.66
CC(C(=O)[O-])C1=CC=CC(NC(=O)C2=CC=C(S(=O)(=O)[N-]C(C)(C)C)O2)=C1	REAL300002667596	1	47	-2.0	-93.01	402.47	4.55	-88.46
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC(C(C)C(=O)[O-])=C2)O1	REAL300002667597	1	38	-2.0	-92.40	347.70	2.11	-90.29
CC(C(=O)[O-])C1=CC=CC(NC(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)=C1	REAL300002667866	0	41	-2.0	-113.14	355.00	5.42	-107.72
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=CC=CC(C(C)C(=O)[O-])=C2)=CS1	REAL300002668216	1	45	-2.0	-111.51	390.02	6.53	-104.98
CC(C(=O)[O-])C1=CC=CC(NC(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)=C1	REAL300002668452	0	41	-2.0	-100.25	362.25	5.49	-94.76
CC1=C(CC(=O)NC2=CC=CC(C(C)C(=O)[O-])=C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002668455	1	47	-2.0	-122.63	399.39	6.67	-115.96
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=CC(C(C)C(=O)[O-])=C1	REAL300002668458	1	47	-2.0	-102.85	398.26	7.09	-95.76
CC1=C(C(=O)NC2=CC=CC(C(C)C(=O)[O-])=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300002668539	1	47	-2.0	-98.24	380.21	6.91	-91.33
COC1=CC=C(C(=O)NC2=CC=CC(C(C)C(=O)[O-])=C2)C([O-])=C1	REAL300002669045	1	38	-2.0	-126.26	322.68	7.09	-119.17
CC(C(=O)[O-])C1=CC=CC(NC(=O)C2=CC=C([O-])C(F)=C2)=C1	REAL300002669599	1	34	-2.0	-96.26	302.45	6.36	-89.90
CC(C(=O)[O-])C1=CC=CC(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])=C1	REAL300002669610	1	37	-2.0	-109.95	331.96	8.78	-101.17
CC(C(=O)[O-])C1=CC=CC(NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)=C1	REAL300002669717	0	40	-2.0	-100.51	356.32	4.44	-96.07
CC(C(=O)[O-])C1=CC=CC(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)=C1	REAL300002669753	1	39	-2.0	-92.91	334.08	5.83	-87.08
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3=CC=CC(C(C)C(=O)[O-])=C3)=N2)=C1	REAL300002669811	0	50	-2.0	-109.80	416.75	9.47	-100.33
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=CC(C(C)C(=O)[O-])=C3)=N2)C=C1	REAL300002669812	0	50	-2.0	-108.53	416.70	9.48	-99.05
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC=CC(C(C)C(=O)[O-])=C2)=N1	REAL300002669907	0	44	-2.0	-104.70	378.01	8.54	-96.16
CC(C(=O)[O-])C1=CC=CC(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])=C1	REAL300002669912	0	41	-2.0	-117.77	362.62	7.63	-110.14
CC(C(=O)[O-])C1=CC=CC(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)=C1	REAL300002669950	0	39	-2.0	-126.39	334.94	8.42	-117.97
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC=CC(C(C)C(=O)[O-])=C3)=N2)=C1	REAL300002670116	0	44	-2.0	-112.49	380.40	8.20	-104.29
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=CC(C(C)C(=O)[O-])=C2)=N1	REAL300002670117	0	47	-2.0	-110.91	397.61	9.29	-101.62
CC1=C(CC(=O)NC2=CC=CC(C(C)C(=O)[O-])=C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002670194	1	47	-2.0	-121.32	399.58	6.66	-114.66
CC(C(=O)[O-])C1=CC=CC(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)=C1	REAL300002670254	0	34	-2.0	-96.33	317.93	6.89	-89.44
CC(C(=O)[O-])C1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300002670371	0	37	-2.0	-110.39	320.02	5.19	-105.20
CC(C(=O)[O-])C1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300002670371	1	37	-2.0	-110.41	320.08	5.20	-105.21
CC(C(=O)[O-])C1=CC=CC(NC(=O)C2=CC=C([O-])C(Cl)=C2)=C1	REAL300002670407	0	34	-2.0	-93.06	311.72	6.83	-86.23
CCOC1=CC(C(=O)NC2=CC=CC(C(C)C(=O)[O-])=C2)=CC(Cl)=C1[O-]	REAL300002670410	1	41	-2.0	-93.21	361.65	7.87	-85.34
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=CC(C(C)C(=O)[O-])=C3)=N2)C=C1	REAL300002670420	0	45	-2.0	-108.30	385.12	6.85	-101.45
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=CC(C(C)C(=O)[O-])=C2)=CO1	REAL300002670444	1	38	-2.0	-93.45	347.71	2.08	-91.37
CC(C(=O)[O-])C1=CC=CC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)=C1	REAL300002670536	0	42	-2.0	-104.43	360.62	10.84	-93.59
CC(C(=O)[O-])C1=CC=CC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)=C1	REAL300002670536	1	42	-2.0	-104.42	360.67	10.81	-93.61
CC(C(=O)[O-])C1=CC=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300002670610	0	37	-2.0	-87.33	331.17	4.98	-82.35
CC(C(=O)[O-])C1=CC=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300002670610	1	37	-2.0	-87.31	331.24	4.99	-82.32
COCC1=NC=C(C(=O)NC2=CC=CC(C(C)C(=O)[O-])=C2)C(=O)[N-]1	REAL300002670942	1	39	-2.0	-92.13	335.91	3.49	-88.64
CC(C(=O)[O-])C1=CC=CC(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)=C1	REAL300002670990	1	42	-2.0	-92.95	349.83	6.38	-86.57
CC(C(=O)[O-])C1=CC=CC(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=C1	REAL300002671311	0	34	-2.0	-105.34	326.04	8.82	-96.52
CCC(CNC(=O)C1=CC=C(S(=O)(=O)[N-]C)O1)(C(=O)[O-])C1=CC=CC=C1	REAL300002673046	1	44	-2.0	-102.94	376.41	2.84	-100.10
CCC(CNC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)(C(=O)[O-])C1=CC=CC=C1	REAL300002673239	0	47	-2.0	-108.71	384.58	5.81	-102.90
CCC(CNC(=O)C1=C(C)N=C(C(C)(C)C)[N-]C1=O)(C(=O)[O-])C1=CC=CC=C1	REAL300002673787	1	53	-2.0	-121.32	408.71	7.62	-113.70
CCC(CNC(=O)C1=CC=C([O-])C(F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002674800	1	40	-2.0	-100.04	329.78	7.08	-92.96
CCC(CNC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])(C(=O)[O-])C1=CC=CC=C1	REAL300002674813	1	43	-2.0	-110.72	361.43	9.63	-101.09
CCC(CNC(=O)CCC1=N[N-]N=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300002674869	0	40	-2.0	-94.43	333.11	4.94	-89.49
CCC(CNC(=O)CCC1=NN=N[N-]1)(C(=O)[O-])C1=CC=CC=C1	REAL300002674869	1	40	-2.0	-94.42	333.17	4.96	-89.46
CCC(CNC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002674950	0	46	-2.0	-106.69	385.63	4.84	-101.85
CCC(CNC(=O)C1=CN=C(C2CC2)[N-]C1=O)(C(=O)[O-])C1=CC=CC=C1	REAL300002674981	1	45	-2.0	-119.14	363.27	6.58	-112.56
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C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C(OC)=C2)O1	REAL300002682804	1	36	-2.0	-93.73	336.54	0.92	-92.81
COC1=CC(NC(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)=CC=C1C(=O)[O-]	REAL300002683067	0	39	-2.0	-108.65	344.13	4.22	-104.43
COC1=CC(NC(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)=CC=C1C(=O)[O-]	REAL300002683412	1	43	-2.0	-112.87	377.98	5.34	-107.53
COC1=CC(NC(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)=CC=C1C(=O)[O-]	REAL300002683645	0	39	-2.0	-101.97	350.52	4.29	-97.68
COC1=CC(NC(=O)CC2=C(C)N=C(C3=CC=CN=C3)[N-]C2=O)=CC=C1C(=O)[O-]	REAL300002683648	1	45	-2.0	-116.73	388.24	5.47	-111.26
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300002683651	1	45	-2.0	-110.53	387.10	5.90	-104.63
COC1=CC(NC(=O)C2=C(C)N=C(C(C)(C)C)[N-]C2=O)=CC=C1C(=O)[O-]	REAL300002683732	1	45	-2.0	-96.30	368.50	5.79	-90.51
COC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C(OC)=C2)C([O-])=C1	REAL300002684236	1	36	-2.0	-118.55	310.98	5.92	-112.63
COC1=CC(NC(=O)C2=CC=C([O-])C(F)=C2)=CC=C1C(=O)[O-]	REAL300002684796	1	32	-2.0	-98.39	289.92	5.15	-93.24
COC1=CC(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])=CC=C1C(=O)[O-]	REAL300002684807	1	35	-2.0	-109.86	319.94	7.59	-102.27
COC1=CC(NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)=CC=C1C(=O)[O-]	REAL300002684914	0	38	-2.0	-100.38	345.16	3.25	-97.13
COC1=CC(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)=CC=C1C(=O)[O-]	REAL300002684950	1	37	-2.0	-96.01	323.86	4.73	-91.28
COC1=CC(NC(=O)C2=NN(C3=CC=CC(C(C)C)=C3)C=C2[O-])=CC=C1C(=O)[O-]	REAL300002685010	0	48	-2.0	-118.92	404.75	8.27	-110.65
COC1=CC(NC(=O)C2=NN(C3=CC=C(C(C)C)C=C3)C=C2[O-])=CC=C1C(=O)[O-]	REAL300002685011	0	48	-2.0	-118.02	404.68	8.27	-109.75
COC1=CC(NC(=O)C2=NN(C3=CC=C(F)C=C3C)C=C2[O-])=CC=C1C(=O)[O-]	REAL300002685107	0	42	-2.0	-115.52	372.15	7.38	-108.14
COC1=CC(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])=CC=C1C(=O)[O-]	REAL300002685112	0	39	-2.0	-116.87	350.90	6.42	-110.45
COC1=CC(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)=CC=C1C(=O)[O-]	REAL300002685154	0	37	-2.0	-118.05	324.05	7.23	-110.82
COC1=CC(NC(=O)C2=NN(C3=CC(C)=CC=C3F)C=C2[O-])=CC=C1C(=O)[O-]	REAL300002685321	0	42	-2.0	-122.58	369.24	7.01	-115.57
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(C(=O)[O-])C(OC)=C2)=N1	REAL300002685322	0	45	-2.0	-120.58	385.61	8.11	-112.47
COC1=CC(NC(=O)CC2=C(C)N=C(C3=CC=NC=C3)[N-]C2=O)=CC=C1C(=O)[O-]	REAL300002685400	1	45	-2.0	-115.53	388.42	5.47	-110.06
COC1=CC(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)=CC=C1C(=O)[O-]	REAL300002685462	0	32	-2.0	-96.51	305.93	5.71	-90.80
COC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1C(=O)[O-]	REAL300002685584	0	35	-2.0	-108.31	308.56	4.01	-104.30
COC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1C(=O)[O-]	REAL300002685584	1	35	-2.0	-108.34	308.61	4.02	-104.32
COC1=CC(NC(=O)C2=CC=C([O-])C(Cl)=C2)=CC=C1C(=O)[O-]	REAL300002685621	0	32	-2.0	-95.45	299.72	5.65	-89.80
CCOC1=CC(C(=O)NC2=CC=C(C(=O)[O-])C(OC)=C2)=CC(Cl)=C1[O-]	REAL300002685625	1	39	-2.0	-99.48	350.78	6.67	-92.81
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(C(=O)[O-])C(OC)=C3)=N2)C=C1	REAL300002685635	0	43	-2.0	-118.02	373.97	5.66	-112.36
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=C(C(=O)[O-])C(OC)=C2)=CO1	REAL300002685659	1	36	-2.0	-104.94	335.70	0.90	-104.04
COC1=CC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)=CC=C1C(=O)[O-]	REAL300002685753	0	40	-2.0	-103.36	348.15	9.60	-93.76
COC1=CC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)=CC=C1C(=O)[O-]	REAL300002685753	1	40	-2.0	-103.41	348.10	9.61	-93.80
COC1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=C1C(=O)[O-]	REAL300002685828	0	35	-2.0	-91.18	319.55	3.80	-87.38
COC1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC=C1C(=O)[O-]	REAL300002685828	1	35	-2.0	-91.23	319.47	3.80	-87.43
COCC1=NC=C(C(=O)NC2=CC=C(C(=O)[O-])C(OC)=C2)C(=O)[N-]1	REAL300002686164	1	37	-2.0	-95.68	325.71	2.39	-93.29
COC1=CC(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)=CC=C1C(=O)[O-]	REAL300002686212	1	40	-2.0	-95.99	339.61	5.27	-90.72
COC1=CC(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=CC=C1C(=O)[O-]	REAL300002686537	0	32	-2.0	-105.48	314.02	7.63	-97.85
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)O1	REAL300002688010	1	38	-2.0	-108.04	366.62	4.34	-103.70
O=C([O-])CN(CC1=CC=C(Cl)C=C1)C(=O)C1=CC=C([O-])C(F)=C1	REAL300002689325	1	34	-2.0	-100.10	317.20	8.04	-92.06
O=C([O-])CN(CC1=CC=C(Cl)C=C1)C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300002689337	1	37	-2.0	-116.13	357.17	9.44	-106.69
O=C([O-])CN(CC1=CC=C(Cl)C=C1)C(=O)CCC1=N[N-]N=N1	REAL300002689376	0	34	-2.0	-94.29	321.22	6.60	-87.69
O=C([O-])CN(CC1=CC=C(Cl)C=C1)C(=O)CCC1=NN=N[N-]1	REAL300002689376	1	34	-2.0	-94.30	321.27	6.61	-87.69
CS(=O)(=O)[N-]C1=CC=C(C(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)C=N1	REAL300002689432	0	40	-2.0	-110.15	375.86	6.16	-103.99
O=C([O-])CN(CC1=CC=C(Cl)C=C1)C(=O)C1=CN=CC([O-])=C1	REAL300002689479	1	33	-2.0	-95.87	307.56	6.14	-89.73
O=C([O-])CN(CC1=CC=C(Cl)C=C1)C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300002689583	1	39	-2.0	-122.97	352.08	11.45	-111.52
O=C([O-])CN(CC1=CC=C(Cl)C=C1)C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300002689813	0	34	-2.0	-93.14	333.28	8.59	-84.55
COC1=C(C(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)NC(=O)[N-]C1=O	REAL300002689826	1	37	-2.0	-98.99	350.84	2.70	-96.29
O=C([O-])CN(CC1=CC=C(Cl)C=C1)C(=O)CCCC1=N[N-]N=N1	REAL300002689897	0	37	-2.0	-92.85	342.72	7.38	-85.47
O=C([O-])CN(CC1=CC=C(Cl)C=C1)C(=O)CCCC1=NN=N[N-]1	REAL300002689897	1	37	-2.0	-92.87	342.78	7.40	-85.47
O=C([O-])CN(CC1=CC=C(Cl)C=C1)C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300002689926	0	34	-2.0	-95.68	326.99	8.52	-87.16
CCOC1=CC(C(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)=CC(Cl)=C1[O-]	REAL300002689929	1	41	-2.0	-100.33	378.13	9.55	-90.78
C[N-]S(=O)(=O)C1=CC(C(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)=CO1	REAL300002689950	1	38	-2.0	-104.00	361.45	3.91	-100.09
O=C([O-])CN(CC1=CC=C(Cl)C=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300002690075	0	37	-2.0	-93.64	348.73	7.93	-85.71
O=C([O-])CN(CC1=CC=C(Cl)C=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300002690075	1	37	-2.0	-93.60	348.80	7.93	-85.67
O=C([O-])CN(CC1=CC=C(Cl)C=C1)C(=O)C1=C[N-]N=CC1=O	REAL300002690278	0	32	-2.0	-96.81	295.39	5.83	-90.98
COCC1=NC=C(C(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)C(=O)[N-]1	REAL300002690300	1	39	-2.0	-118.67	364.81	5.22	-113.45
O=C([O-])CN(CC1=CC=C(Cl)C=C1)C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300002690554	0	34	-2.0	-98.32	341.09	10.33	-87.99
CC1=C(CCC(=O)N2CCCC(C(=O)[O-])C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300002691258	1	51	-2.0	-103.95	401.26	7.27	-96.68
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300002691606	0	41	-2.0	-107.49	343.82	4.49	-103.00
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(C(=O)[O-])C1	REAL300002691916	0	41	-2.0	-104.15	343.43	4.72	-99.43
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300002691962	1	43	-2.0	-112.90	363.59	10.09	-102.81
O=C([O-])C1CCCN(C(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3)C=C2)C1	REAL300002692144	1	45	-2.0	-98.40	380.74	6.88	-91.52
O=C([O-])C1CCCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)C1	REAL300002692145	1	45	-2.0	-104.44	379.40	6.83	-97.61
CC1=CC(C(=O)N2CCCC(C(=O)[O-])C2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300002692158	0	41	-2.0	-83.90	360.64	5.01	-78.89
O=C([O-])C1CCCN(C(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CS3)C=C2)C1	REAL300002692390	0	42	-2.0	-100.77	372.65	5.88	-94.89
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC(C(=O)[O-])C2)O1	REAL300002692408	1	44	-2.0	-111.74	363.22	3.48	-108.26
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC(C(=O)[O-])C2)O1	REAL300002692409	1	35	-2.0	-110.26	309.61	0.95	-109.31
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300002692649	0	45	-2.0	-106.96	373.92	2.73	-104.23
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(C(=O)[O-])C1	REAL300002692695	0	38	-2.0	-103.03	322.46	3.84	-99.19
O=C([O-])C1CCCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CS3)=C2)C1	REAL300002692703	0	42	-2.0	-96.27	372.88	5.89	-90.38
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCCC(C(=O)[O-])C2)=CS1	REAL300002693055	1	42	-2.0	-108.45	354.44	5.45	-103.00
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCCC(C(=O)[O-])C1	REAL300002693263	0	38	-2.0	-98.48	328.21	3.89	-94.59
CC1=C(CC(=O)N2CCCC(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002693270	1	44	-2.0	-114.52	363.90	5.61	-108.91
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(C(=O)[O-])C1	REAL300002693275	0	44	-2.0	-104.69	364.92	5.51	-99.18
CC1=C(C(=O)N2CCCC(C(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300002693337	1	44	-2.0	-108.18	353.00	5.18	-103.00
O=C([O-])C1CCCN(C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3)C=C2)C1	REAL300002693436	1	45	-2.0	-94.68	380.87	6.88	-87.80
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)N1CCCC(C(=O)[O-])C1	REAL300002693985	0	44	-2.0	-111.55	367.97	6.08	-105.47
O=C([O-])C1CCCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300002694154	1	34	-2.0	-101.12	298.54	6.17	-94.95
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCCC(C(=O)[O-])C2)C=N1	REAL300002694241	0	37	-2.0	-95.07	321.61	2.96	-92.11
O=C([O-])C1CCCN(C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=NC=C3)C=C2)C1	REAL300002694302	1	44	-2.0	-91.51	375.89	5.10	-86.41
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCCC(C(=O)[O-])C3)=N2)=C1	REAL300002694317	0	47	-2.0	-119.47	377.49	8.62	-110.85
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCCC(C(=O)[O-])C3)=N2)C=C1	REAL300002694318	0	47	-2.0	-118.43	377.24	8.60	-109.83
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCCC(C(=O)[O-])C2)=N1	REAL300002694387	0	41	-2.0	-114.01	349.70	7.17	-106.84
O=C([O-])C1CCCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1	REAL300002694391	0	38	-2.0	-117.31	323.64	6.78	-110.53
O=C([O-])C1CCCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300002694412	1	36	-2.0	-121.11	297.21	7.84	-113.27
O=C([O-])C1CCCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)C1	REAL300002694430	0	38	-2.0	-89.82	340.94	4.26	-85.56
O=C([O-])C1CCCN(C(=O)C2=CN=C(I)C([O-])=C2)C1	REAL300002694468	0	30	-2.0	-91.82	280.46	3.93	-87.89
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCCC(C(=O)[O-])C3)=N2)=C1	REAL300002694517	0	41	-2.0	-123.01	341.80	7.33	-115.68
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCCC(C(=O)[O-])C2)=N1	REAL300002694518	0	44	-2.0	-118.22	362.88	7.91	-110.31
CC1=C(CC(=O)N2CCCC(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002694559	1	44	-2.0	-113.04	364.04	5.61	-107.43
O=C([O-])C1CCCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300002694591	0	31	-2.0	-96.43	282.56	5.51	-90.92
CCOC1=CC(C(=O)N2CCCC(C(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300002694675	1	38	-2.0	-94.40	326.83	6.45	-87.95
O=C([O-])C1CCCN(C(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])C1	REAL300002694679	0	41	-2.0	-120.84	352.34	7.55	-113.29
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCCC(C(=O)[O-])C3)=N2)C=C1	REAL300002694686	0	42	-2.0	-118.48	346.53	5.98	-112.50
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCCC(C(=O)[O-])C2)=CO1	REAL300002694703	1	35	-2.0	-96.98	308.89	0.77	-96.21
O=C([O-])C1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300002694823	0	34	-2.0	-85.00	292.64	4.32	-80.68
O=C([O-])C1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300002694823	1	34	-2.0	-84.93	292.71	4.32	-80.61
O=C([O-])C1CCCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300002695083	1	39	-2.0	-106.15	321.14	4.95	-101.20
O=C([O-])C1CCCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300002695286	0	31	-2.0	-98.00	291.75	6.33	-91.67
CC1=C(C(=O)N2CCCC(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300002695509	0	39	-2.0	-111.17	332.68	4.40	-106.77
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)O1	REAL300002696734	1	38	-2.0	-108.03	356.30	3.88	-104.15
CC(C)C(=O)[N-]C1=NC(CC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)=CS1	REAL300002697169	1	45	-2.0	-97.90	401.84	8.27	-89.63
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)C1=CC=C([O-])C(F)=C1	REAL300002698237	1	34	-2.0	-99.83	306.88	7.59	-92.24
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300002698248	1	37	-2.0	-115.93	346.85	8.99	-106.94
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)CCC1=N[N-]N=N1	REAL300002698282	0	34	-2.0	-94.24	310.90	6.15	-88.09
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)CCC1=NN=N[N-]1	REAL300002698282	1	34	-2.0	-94.20	310.95	6.16	-88.04
CS(=O)(=O)[N-]C1=CC=C(C(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C=N1	REAL300002698351	0	40	-2.0	-109.83	365.54	5.70	-104.13
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)C1=CN=CC([O-])=C1	REAL300002698411	1	33	-2.0	-95.78	297.24	5.69	-90.09
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300002698494	0	41	-2.0	-121.89	370.77	9.62	-112.27
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300002698525	1	39	-2.0	-122.53	341.76	11.00	-111.53
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)=N1	REAL300002698662	0	47	-2.0	-130.45	403.59	11.18	-119.27
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300002698772	0	34	-2.0	-92.98	322.96	8.14	-84.84
COC1=C(C(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)NC(=O)[N-]C1=O	REAL300002698784	1	37	-2.0	-98.83	340.52	2.25	-96.58
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)CCCC1=N[N-]N=N1	REAL300002698862	0	37	-2.0	-92.81	332.40	6.93	-85.88
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)CCCC1=NN=N[N-]1	REAL300002698862	1	37	-2.0	-92.84	332.45	6.94	-85.90
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300002698894	0	34	-2.0	-95.49	316.67	8.07	-87.42
CCOC1=CC(C(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)=CC(Cl)=C1[O-]	REAL300002698897	1	41	-2.0	-100.12	367.81	9.10	-91.02
COC1=CC=C(N2C=C([O-])C(C(=O)N(CC(=O)[O-])CC3=CC=C(F)C=C3)=N2)C=C1	REAL300002698903	0	45	-2.0	-126.53	393.86	8.87	-117.66
C[N-]S(=O)(=O)C1=CC(C(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)=CO1	REAL300002698919	1	38	-2.0	-103.82	351.12	3.46	-100.36
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300002699060	0	37	-2.0	-93.59	338.41	7.48	-86.11
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300002699060	1	37	-2.0	-93.61	338.48	7.48	-86.13
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)C1=C[N-]N=CC1=O	REAL300002699292	0	32	-2.0	-96.14	285.07	5.37	-90.77
COCC1=NC=C(C(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C(=O)[N-]1	REAL300002699315	1	39	-2.0	-118.32	354.49	4.77	-113.55
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300002699599	0	34	-2.0	-97.92	330.76	9.88	-88.04
CCN(CC(=O)[O-])C(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O	REAL300002700231	1	47	-2.0	-104.18	379.83	6.87	-97.31
CCN(CC(=O)[O-])C(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C)=CC=C1C	REAL300002700275	1	47	-2.0	-114.95	401.22	8.07	-106.88
CCN(CC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C)=C2)C=C1	REAL300002700306	1	47	-2.0	-113.91	395.63	7.68	-106.23
CCN(CC(=O)[O-])C(=O)C1=CC(C)=CC=C1[N-]S(C)(=O)=O	REAL300002700503	0	37	-2.0	-103.81	318.48	4.10	-99.71
CCN(CC(=O)[O-])C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1	REAL300002700719	1	41	-2.0	-111.90	364.45	6.56	-105.34
CCN(CC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(F)=C2)=C1	REAL300002700747	1	44	-2.0	-111.49	384.76	7.21	-104.28
CCN(CC(=O)[O-])C(=O)C1=CC=CC=C1[N-]S(=O)(=O)CC	REAL300002700766	0	37	-2.0	-108.78	326.27	4.52	-104.26
CCN(CC(=O)[O-])C(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1	REAL300002700802	1	39	-2.0	-111.21	344.07	9.78	-101.43
CCN(CC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300002700848	1	41	-2.0	-104.87	363.61	6.55	-98.32
CCN(CC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C)C=C1	REAL300002700850	1	44	-2.0	-97.82	377.28	7.24	-90.58
CCN(CC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C)C=C1	REAL300002700854	1	47	-2.0	-99.28	394.28	7.78	-91.50
CCN(CC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300002700961	1	41	-2.0	-112.57	357.21	6.48	-106.09
CCN(CC(=O)[O-])C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300002700962	1	44	-2.0	-110.90	392.38	7.64	-103.26
CCN(CC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300002700963	1	41	-2.0	-114.55	358.02	6.50	-108.05
CCN(CC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C(F)(F)F)C(C)=C1	REAL300002700978	0	37	-2.0	-89.54	339.28	4.69	-84.85
CCN(CC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2)C=C1	REAL300002701086	1	44	-2.0	-98.69	378.77	7.15	-91.54
CCN(CC(=O)[O-])C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2)=C1	REAL300002701162	1	41	-2.0	-112.56	371.63	6.91	-105.65
CCN(CC(=O)[O-])C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC)=C1	REAL300002701163	0	45	-2.0	-122.69	387.26	5.85	-116.84
CCN(CC(=O)[O-])C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC)C=C2)=C1	REAL300002701164	1	45	-2.0	-117.00	387.55	5.79	-111.21
CCN(CC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300002701169	0	38	-2.0	-101.87	349.15	5.48	-96.39
CCN(CC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300002701182	1	40	-2.0	-111.17	344.20	3.33	-107.84
CCN(CC(=O)[O-])C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2)=C1	REAL300002701260	1	44	-2.0	-119.22	379.43	7.18	-112.04
CCN(CC(=O)[O-])C(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C)C=C2)=C1	REAL300002701267	1	47	-2.0	-119.76	394.87	7.96	-111.80
CCN(CC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C)=C2)C=C1	REAL300002701273	1	44	-2.0	-105.42	383.92	7.18	-98.24
CCN(CC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2C)C=C1	REAL300002701274	1	44	-2.0	-96.59	379.10	7.32	-89.27
CCN(CC(=O)[O-])C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C)=C1	REAL300002701277	0	44	-2.0	-109.26	389.78	7.48	-101.78
CCN(CC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC)C=C1	REAL300002701304	0	45	-2.0	-102.27	386.61	5.81	-96.46
CCN(CC(=O)[O-])C(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=CC=C1C	REAL300002701306	1	44	-2.0	-108.25	387.74	7.37	-100.88
CCN(CC(=O)[O-])C(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C)=C2)=C1	REAL300002701307	1	47	-2.0	-120.21	394.86	7.95	-112.26
CCN(CC(=O)[O-])C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2)=C1	REAL300002701308	1	44	-2.0	-119.72	379.43	7.18	-112.54
CCN(CC(=O)[O-])C(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2)=CC=C1C	REAL300002701309	1	47	-2.0	-115.52	402.96	7.90	-107.62
CCN(CC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC=C2C)=C1	REAL300002701314	1	47	-2.0	-114.49	394.93	7.95	-106.54
CCN(CC(=O)[O-])C(=O)C1=CC(NC(C)=O)=CC=C1[N-]S(C)(=O)=O	REAL300002701377	0	41	-2.0	-124.04	355.80	2.33	-121.71
CCN(CC(=O)[O-])C(=O)C1=CC=CC=C1[N-]S(C)(=O)=O	REAL300002701420	0	34	-2.0	-107.36	304.82	3.62	-103.74
CCN(CC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300002701430	0	38	-2.0	-112.11	346.84	5.40	-106.71
CCN(CC(=O)[O-])C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300002701431	0	41	-2.0	-116.58	377.90	6.58	-110.00
CCN(CC(=O)[O-])C(=O)CC1=CSC([N-]C(=O)C(C)C)=N1	REAL300002701702	1	38	-2.0	-113.79	334.76	5.12	-108.67
CCN(CC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2)C=C1	REAL300002701767	1	45	-2.0	-96.77	386.89	5.77	-91.00
CCN(CC(=O)[O-])C(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O	REAL300002701845	0	34	-2.0	-108.92	306.12	3.50	-105.42
CCN(CC(=O)[O-])C(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O	REAL300002701855	1	40	-2.0	-125.48	345.64	5.33	-120.15
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N(CC)CC(=O)[O-]	REAL300002701858	0	40	-2.0	-109.25	347.79	5.31	-103.94
CCN(CC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300002701995	1	41	-2.0	-97.91	357.37	6.47	-91.44
CCN(CC(=O)[O-])C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1C	REAL300002701997	0	47	-2.0	-115.07	399.96	8.23	-106.84
CCN(CC(=O)[O-])C(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O	REAL300002702312	0	40	-2.0	-105.87	341.70	5.62	-100.25
CCN(CC(=O)[O-])C(=O)C1=CC(Br)=C([O-])C(Br)=C1	REAL300002702381	0	27	-2.0	-94.17	274.55	5.71	-88.46
CCN(CC(=O)[O-])C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300002702477	0	33	-2.0	-101.07	298.24	2.56	-98.51
CCN(CC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300002702519	1	40	-2.0	-93.52	352.41	4.70	-88.82
CCN(CC(=O)[O-])C(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-]	REAL300002702532	0	43	-2.0	-133.09	358.46	8.47	-124.62
CCN(CC(=O)[O-])C(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-]	REAL300002702533	0	43	-2.0	-129.60	357.76	8.46	-121.14
CCN(CC(=O)[O-])C(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-]	REAL300002702568	0	37	-2.0	-124.06	323.76	7.17	-116.89
CCN(CC(=O)[O-])C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300002702571	0	34	-2.0	-123.62	304.69	6.62	-117.00
CCN(CC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300002702591	0	34	-2.0	-97.90	316.45	3.83	-94.07
CCN(CC(=O)[O-])C(=O)C1=CN=C(I)C([O-])=C1	REAL300002702612	0	26	-2.0	-100.78	255.99	3.51	-97.27
CCN(CC(=O)[O-])C(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-]	REAL300002702645	0	37	-2.0	-133.32	322.98	7.18	-126.14
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(CC)CC(=O)[O-])=N1	REAL300002702646	0	40	-2.0	-130.97	337.16	8.12	-122.85
CCN(CC(=O)[O-])C(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O	REAL300002702662	1	40	-2.0	-124.16	344.90	5.27	-118.89
CCOC1=CC(C(=O)N(CC)CC(=O)[O-])=CC(Cl)=C1[O-]	REAL300002702719	1	34	-2.0	-101.25	303.98	6.08	-95.17
CCN(CC(=O)[O-])C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300002702723	0	37	-2.0	-130.51	334.01	7.41	-123.10
CCN(CC(=O)[O-])C(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-]	REAL300002702732	0	38	-2.0	-128.30	327.76	5.84	-122.46
CCN(CC(=O)[O-])C(=O)C1=C(C)N=C(C2=CC=CO2)[N-]C1=O	REAL300002703195	0	35	-2.0	-109.58	309.32	3.62	-105.96
COC1=CC(C(=O)[O-])=CC=C1NC(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1	REAL300002704107	1	44	-2.0	-108.60	388.81	9.36	-99.24
COC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300002704458	1	45	-2.0	-89.05	391.72	2.69	-86.36
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2OC)O1	REAL300002704459	1	36	-2.0	-88.50	336.95	0.25	-88.25
COC1=CC(C(=O)[O-])=CC=C1NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1	REAL300002704934	1	43	-2.0	-104.27	378.72	4.66	-99.61
COC1=CC(C(=O)[O-])=CC=C1NC(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O	REAL300002705126	1	45	-2.0	-107.61	388.64	4.80	-102.81
COC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2OC)C([O-])=C1	REAL300002705587	1	36	-2.0	-111.19	312.20	5.21	-105.98
COC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C([O-])C(F)=C1	REAL300002706030	1	32	-2.0	-93.56	290.34	4.49	-89.07
COC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300002706039	1	35	-2.0	-102.39	321.48	6.90	-95.49
COC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300002706124	0	38	-2.0	-94.24	346.40	2.57	-91.67
COC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300002706149	1	37	-2.0	-93.16	323.79	4.05	-89.11
COC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-]	REAL300002706201	0	48	-2.0	-113.53	405.16	7.60	-105.93
COC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-]	REAL300002706202	0	48	-2.0	-112.38	405.09	7.60	-104.78
COC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-]	REAL300002706269	0	42	-2.0	-109.08	366.82	6.68	-102.40
COC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300002706274	0	39	-2.0	-110.81	351.31	5.75	-105.06
COC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300002706304	0	37	-2.0	-112.70	325.30	6.53	-106.17
COC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-]	REAL300002706441	0	42	-2.0	-117.02	370.49	6.32	-110.70
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(C(=O)[O-])C=C2OC)=N1	REAL300002706442	0	45	-2.0	-114.58	379.42	7.47	-107.11
COC1=CC(C(=O)[O-])=CC=C1NC(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O	REAL300002706501	1	45	-2.0	-106.23	388.83	4.79	-101.44
COC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300002706556	0	32	-2.0	-89.46	306.34	5.05	-84.41
COC1=CC(C(=O)[O-])=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL300002706644	0	35	-2.0	-99.67	309.29	3.33	-96.34
COC1=CC(C(=O)[O-])=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL300002706644	1	35	-2.0	-99.63	309.34	3.35	-96.28
COC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300002706674	0	32	-2.0	-90.14	300.14	4.97	-85.17
CCOC1=CC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OC)=CC(Cl)=C1[O-]	REAL300002706678	1	39	-2.0	-92.88	352.01	6.00	-86.88
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(C(=O)[O-])C=C3OC)=N2)C=C1	REAL300002706684	0	43	-2.0	-112.34	374.38	4.98	-107.36
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OC)=CO1	REAL300002706699	1	36	-2.0	-96.25	336.93	0.20	-96.05
COC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300002706838	0	35	-2.0	-84.88	320.78	3.12	-81.76
COC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300002706838	1	35	-2.0	-84.90	320.72	3.12	-81.78
COCC1=NC=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2OC)C(=O)[N-]1	REAL300002707097	1	37	-2.0	-92.69	325.90	1.69	-91.00
COC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300002707139	1	40	-2.0	-93.19	339.54	4.60	-88.59
COC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300002707382	0	32	-2.0	-98.52	315.56	6.94	-91.58
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC(C(=O)[O-])C2CCOCC2)=C1	REAL300002708493	0	48	-2.0	-104.86	395.12	3.48	-101.38
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(C(=O)[O-])C1CCOCC1	REAL300002708775	0	48	-2.0	-105.82	388.16	3.80	-102.02
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(C(=O)[O-])C2CCOCC2)O1	REAL300002709207	1	42	-2.0	-97.93	359.14	-0.42	-98.35
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(C(=O)[O-])C1CCOCC1	REAL300002709457	0	45	-2.0	-104.26	366.70	2.90	-101.36
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC(C(=O)[O-])C2CCOCC2)=CS1	REAL300002709791	1	49	-2.0	-101.12	402.70	3.99	-97.13
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCC(C(=O)[O-])C1CCOCC1	REAL300002710015	0	45	-2.0	-98.83	373.10	2.96	-95.87
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(C(=O)[O-])C1CCOCC1	REAL300002710019	0	51	-2.0	-106.04	416.69	4.48	-101.56
CC1=C(C(=O)NCC(C(=O)[O-])C2CCOCC2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300002710101	1	51	-2.0	-114.28	397.82	4.29	-109.99
O=C([O-])C(CNC(=O)C1=CC=C([O-])C(F)=C1)C1CCOCC1	REAL300002711134	1	38	-2.0	-95.00	314.32	3.81	-91.19
O=C([O-])C(CNC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1CCOCC1	REAL300002711146	1	41	-2.0	-103.86	349.88	6.27	-97.59
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC(C(=O)[O-])C2CCOCC2)C=N1	REAL300002711259	0	44	-2.0	-100.79	369.56	1.90	-98.89
O=C([O-])C(CNC(=O)C1=CN=C(C2CC2)[N-]C1=O)C1CCOCC1	REAL300002711293	1	43	-2.0	-110.92	344.36	3.32	-107.60
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC(C(=O)[O-])C2CCOCC2)=N1	REAL300002711446	0	48	-2.0	-116.71	401.87	5.99	-110.72
O=C([O-])C(CNC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1CCOCC1	REAL300002711451	0	45	-2.0	-115.89	375.31	5.10	-110.79
O=C([O-])C(CNC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1CCOCC1	REAL300002711492	1	43	-2.0	-122.49	346.65	6.00	-116.49
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC(C(=O)[O-])C3CCOCC3)=N2)=C1	REAL300002711657	0	48	-2.0	-123.65	393.64	5.69	-117.96
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC(C(=O)[O-])C2CCOCC2)=N1	REAL300002711658	0	51	-2.0	-123.18	415.37	6.68	-116.50
O=C([O-])C(CNC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1CCOCC1	REAL300002711795	0	38	-2.0	-90.74	330.33	4.39	-86.35
COC1=C(C(=O)NCC(C(=O)[O-])C2CCOCC2)NC(=O)[N-]C1=O	REAL300002711812	1	41	-2.0	-94.00	336.47	-0.54	-94.54
O=C(CCCC1=N[N-]N=N1)NCC(C(=O)[O-])C1CCOCC1	REAL300002711911	0	41	-2.0	-93.49	330.28	2.66	-90.83
O=C(CCCC1=NN=N[N-]1)NCC(C(=O)[O-])C1CCOCC1	REAL300002711911	1	41	-2.0	-93.50	330.34	2.68	-90.82
O=C([O-])C(CNC(=O)C1=CC=C([O-])C(Cl)=C1)C1CCOCC1	REAL300002711949	0	38	-2.0	-91.97	324.12	4.30	-87.67
CCOC1=CC(C(=O)NCC(C(=O)[O-])C2CCOCC2)=CC(Cl)=C1[O-]	REAL300002711953	1	45	-2.0	-98.27	380.40	5.26	-93.01
COC1=CC=C(N2C=C([O-])C(C(=O)NCC(C(=O)[O-])C3CCOCC3)=N2)C=C1	REAL300002711963	0	49	-2.0	-119.54	398.38	4.34	-115.20
C[N-]S(=O)(=O)C1=CC(C(=O)NCC(C(=O)[O-])C2CCOCC2)=CO1	REAL300002711986	1	42	-2.0	-93.11	358.28	-0.42	-93.53
O=C([O-])C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCOCC1	REAL300002712149	0	41	-2.0	-88.47	342.05	2.47	-86.00
O=C([O-])C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCOCC1	REAL300002712149	1	41	-2.0	-88.50	342.11	2.47	-86.03
COCC1=NC=C(C(=O)NCC(C(=O)[O-])C2CCOCC2)C(=O)[N-]1	REAL300002712479	1	43	-2.0	-110.28	347.28	1.00	-109.28
O=C([O-])C(CNC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1CCOCC1	REAL300002712528	1	46	-2.0	-111.14	360.12	3.87	-107.27
O=C([O-])C(CNC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CCOCC1	REAL300002712847	0	38	-2.0	-101.55	343.94	6.30	-95.25
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300002714271	1	46	-2.0	-139.28	393.11	12.26	-127.02
CN(C(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(C(=O)[O-])C1=CC=CC=C1	REAL300002714624	1	47	-2.0	-99.14	395.23	5.84	-93.30
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)O1	REAL300002714625	1	38	-2.0	-99.06	340.39	2.87	-96.19
CC(C)C(=O)[N-]C1=NC(CC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)=CS1	REAL300002715109	1	45	-2.0	-110.88	381.89	7.04	-103.84
CC1=C(CC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002715303	1	47	-2.0	-129.44	396.10	7.28	-122.16
CN(C(=O)C1=CC=C([O-])C(F)=C1)C(C(=O)[O-])C1=CC=CC=C1	REAL300002716199	1	34	-2.0	-101.14	294.10	6.80	-94.34
CN(C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(C(=O)[O-])C1=CC=CC=C1	REAL300002716208	1	37	-2.0	-126.49	328.60	8.10	-118.39
CN(C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(C(=O)[O-])C1=CC=CC=C1	REAL300002716293	0	40	-2.0	-107.41	347.21	4.66	-102.75
CN(C(=O)C1=CN=C(C2CC2)[N-]C1=O)C(C(=O)[O-])C1=CC=CC=C1	REAL300002716318	1	39	-2.0	-119.89	334.19	6.05	-113.84
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N(C)C(C(=O)[O-])C3=CC=CC=C3)=N2)=C1	REAL300002716368	0	50	-2.0	-131.52	406.15	10.32	-121.20
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N(C)C(C(=O)[O-])C3=CC=CC=C3)=N2)C=C1	REAL300002716369	0	50	-2.0	-129.78	406.07	10.33	-119.45
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300002716434	0	44	-2.0	-126.75	372.94	9.45	-117.30
CN(C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(C(=O)[O-])C1=CC=CC=C1	REAL300002716439	0	41	-2.0	-126.87	352.30	8.46	-118.41
CN(C(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(C(=O)[O-])C1=CC=CC=C1	REAL300002716466	1	39	-2.0	-133.27	325.01	9.60	-123.67
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N(C)C(C(=O)[O-])C3=CC=CC=C3)=N2)=C1	REAL300002716602	0	44	-2.0	-134.75	370.11	8.97	-125.78
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300002716603	0	47	-2.0	-133.52	385.53	9.96	-123.56
CC1=C(CC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002716660	1	47	-2.0	-121.89	396.11	7.38	-114.51
CN(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(C(=O)[O-])C1=CC=CC=C1	REAL300002716713	0	34	-2.0	-96.75	307.89	7.68	-89.07
COC1=C(C(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)NC(=O)[N-]C1=O	REAL300002716723	1	37	-2.0	-106.50	325.49	1.06	-105.44
CN(C(=O)CCCC1=N[N-]N=N1)C(C(=O)[O-])C1=CC=CC=C1	REAL300002716797	0	37	-2.0	-104.91	315.42	6.35	-98.56
CN(C(=O)CCCC1=NN=N[N-]1)C(C(=O)[O-])C1=CC=CC=C1	REAL300002716797	1	37	-2.0	-104.87	315.48	6.37	-98.50
CN(C(=O)C1=CC=C([O-])C(Cl)=C1)C(C(=O)[O-])C1=CC=CC=C1	REAL300002716826	0	34	-2.0	-98.91	303.89	7.28	-91.63
CCOC1=CC(C(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)=CC(Cl)=C1[O-]	REAL300002716829	1	41	-2.0	-102.45	352.72	8.02	-94.43
COC1=CC=C(N2C=C([O-])C(C(=O)N(C)C(C(=O)[O-])C3=CC=CC=C3)=N2)C=C1	REAL300002716835	0	45	-2.0	-129.40	375.35	7.70	-121.70
C[N-]S(=O)(=O)C1=CC(C(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)=CO1	REAL300002716850	1	38	-2.0	-105.89	338.86	2.37	-103.52
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C(=O)[O-])C1=CC=CC=C1	REAL300002716986	0	37	-2.0	-92.37	324.04	6.76	-85.61
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C(=O)[O-])C1=CC=CC=C1	REAL300002716986	1	37	-2.0	-92.38	324.11	6.77	-85.61
COCC1=NC=C(C(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)C(=O)[N-]1	REAL300002717241	1	39	-2.0	-108.19	333.53	4.54	-103.65
CN(C(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(C(=O)[O-])C1=CC=CC=C1	REAL300002717283	1	42	-2.0	-120.10	349.94	6.60	-113.50
CN(C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(C(=O)[O-])C1=CC=CC=C1	REAL300002717524	0	34	-2.0	-112.32	318.91	9.04	-103.28
CC1=C(CCC(=O)NC2(C(=O)[O-])CCOCC2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300002718282	1	52	-2.0	-118.82	404.23	5.31	-113.51
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2(C(=O)[O-])CCOCC2)C=C1	REAL300002718833	1	44	-2.0	-116.85	368.76	8.29	-108.56
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(C(=O)[O-])CCOCC2)O1	REAL300002719195	1	45	-2.0	-97.43	371.03	1.73	-95.70
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(C(=O)[O-])CCOCC2)O1	REAL300002719196	1	36	-2.0	-96.29	317.42	-0.81	-97.10
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2(C(=O)[O-])CCOCC2)=CS1	REAL300002719694	1	43	-2.0	-121.97	359.18	3.54	-118.43
CC1=C(CC(=O)NC2(C(=O)[O-])CCOCC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002719886	1	45	-2.0	-132.92	369.12	3.72	-129.20
O=C([O-])C1(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CCOCC1	REAL300002720675	1	35	-2.0	-123.87	301.12	5.48	-118.39
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2(C(=O)[O-])CCOCC2)C=N1	REAL300002720752	0	38	-2.0	-105.53	326.02	1.51	-104.02
O=C([O-])C1(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)CCOCC1	REAL300002720770	1	37	-2.0	-109.52	303.90	2.85	-106.67
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CCOCC3)=N2)=C1	REAL300002720818	0	48	-2.0	-137.25	385.56	6.59	-130.66
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CCOCC3)=N2)C=C1	REAL300002720819	0	48	-2.0	-135.93	385.55	6.58	-129.35
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2(C(=O)[O-])CCOCC2)=N1	REAL300002720872	0	42	-2.0	-132.49	353.09	5.68	-126.81
O=C([O-])C1(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CCOCC1	REAL300002720877	0	39	-2.0	-133.81	331.77	4.74	-129.07
O=C([O-])C1(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)CCOCC1	REAL300002720897	1	37	-2.0	-137.66	304.93	5.12	-132.54
O=C([O-])C1(NC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)CCOCC1	REAL300002720915	0	39	-2.0	-100.99	347.25	2.80	-98.19
O=C([O-])C1(NC(=O)C2=CN=C(I)C([O-])=C2)CCOCC1	REAL300002720955	0	31	-2.0	-104.13	286.49	2.52	-101.61
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CCOCC3)=N2)=C1	REAL300002721005	0	42	-2.0	-141.02	350.11	5.31	-135.71
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2(C(=O)[O-])CCOCC2)=N1	REAL300002721006	0	45	-2.0	-139.48	366.64	6.39	-133.09
CC1=C(CC(=O)NC2(C(=O)[O-])CCOCC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002721048	1	45	-2.0	-131.58	369.30	3.70	-127.88
O=C([O-])C1(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)CCOCC1	REAL300002721085	0	32	-2.0	-100.55	286.79	3.98	-96.57
COC1=C(C(=O)NC2(C(=O)[O-])CCOCC2)NC(=O)[N-]C1=O	REAL300002721091	1	35	-2.0	-100.16	292.75	-1.42	-101.58
CCOC1=CC(C(=O)NC2(C(=O)[O-])CCOCC2)=CC(Cl)=C1[O-]	REAL300002721168	1	39	-2.0	-104.88	331.63	4.94	-99.94
O=C([O-])C1(NC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])CCOCC1	REAL300002721171	0	42	-2.0	-140.27	355.26	6.09	-134.18
COC1=CC=C(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CCOCC3)=N2)C=C1	REAL300002721176	0	43	-2.0	-135.57	354.84	3.96	-131.61
C[N-]S(=O)(=O)C1=CC(C(=O)NC2(C(=O)[O-])CCOCC2)=CO1	REAL300002721187	1	36	-2.0	-107.35	316.56	-0.82	-108.17
O=C([O-])C1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCOCC1	REAL300002721292	0	35	-2.0	-92.29	300.33	2.07	-90.22
O=C([O-])C1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCOCC1	REAL300002721292	1	35	-2.0	-92.23	300.40	2.07	-90.16
COCC1=NC=C(C(=O)NC2(C(=O)[O-])CCOCC2)C(=O)[N-]1	REAL300002721508	1	37	-2.0	-110.05	305.85	0.49	-109.56
O=C([O-])C1(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)CCOCC1	REAL300002721544	1	40	-2.0	-109.66	319.64	3.39	-106.27
O=C([O-])C1(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCOCC1	REAL300002721739	0	32	-2.0	-119.07	295.19	5.53	-113.54
CC1=C(CCC(=O)N2CCCC2CC(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300002722363	1	51	-2.0	-105.80	401.73	7.25	-98.55
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCCC2CC(=O)[O-])=C1	REAL300002722711	0	41	-2.0	-136.99	336.41	5.80	-131.19
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC1CC(=O)[O-]	REAL300002723021	0	41	-2.0	-138.24	336.49	6.03	-132.21
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCCC2CC(=O)[O-])C=C1	REAL300002723067	1	43	-2.0	-121.57	366.60	10.14	-111.43
O=C([O-])CC1CCCN1C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300002723249	1	45	-2.0	-121.95	375.03	8.09	-113.86
O=C([O-])CC1CCCN1C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300002723250	1	45	-2.0	-133.62	375.13	8.07	-125.55
CC1=CC(C(=O)N2CCCC2CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300002723263	0	41	-2.0	-105.86	356.44	6.24	-99.62
O=C([O-])CC1CCCN1C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300002723495	0	42	-2.0	-128.10	366.95	7.08	-121.02
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC2CC(=O)[O-])O1	REAL300002723513	1	44	-2.0	-90.76	367.59	3.50	-87.26
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC2CC(=O)[O-])O1	REAL300002723514	1	35	-2.0	-89.91	312.82	1.05	-88.86
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCCC2CC(=O)[O-])=C1	REAL300002723754	0	45	-2.0	-135.79	375.02	2.85	-132.94
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC1CC(=O)[O-]	REAL300002723800	0	38	-2.0	-136.01	315.03	5.13	-130.88
O=C([O-])CC1CCCN1C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300002723808	0	42	-2.0	-131.72	367.07	7.06	-124.66
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCCC2CC(=O)[O-])=CS1	REAL300002724160	1	42	-2.0	-113.26	356.68	5.50	-107.76
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCCC1CC(=O)[O-]	REAL300002724368	0	38	-2.0	-126.84	321.43	5.20	-121.64
CC1=C(CC(=O)N2CCCC2CC(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002724375	1	44	-2.0	-120.28	367.10	5.61	-114.67
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC1CC(=O)[O-]	REAL300002724380	0	44	-2.0	-139.23	357.99	6.82	-132.41
CC1=C(C(=O)N2CCCC2CC(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300002724442	1	44	-2.0	-132.37	351.67	6.33	-126.04
O=C([O-])CC1CCCN1C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300002724541	1	45	-2.0	-115.50	375.14	8.08	-107.42
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)N1CCCC1CC(=O)[O-]	REAL300002725090	0	44	-2.0	-142.10	361.31	7.41	-134.69
O=C([O-])CC1CCCN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300002725259	1	34	-2.0	-142.04	291.85	7.99	-134.05
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCCC2CC(=O)[O-])C=N1	REAL300002725346	0	37	-2.0	-117.94	315.39	4.17	-113.77
O=C([O-])CC1CCCN1C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300002725407	1	44	-2.0	-111.47	370.20	6.31	-105.16
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCCC3CC(=O)[O-])=N2)=C1	REAL300002725422	0	47	-2.0	-125.59	380.94	8.60	-116.99
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCCC3CC(=O)[O-])=N2)C=C1	REAL300002725423	0	47	-2.0	-124.75	380.93	8.60	-116.15
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCCC2CC(=O)[O-])=N1	REAL300002725492	0	41	-2.0	-121.63	346.61	7.75	-113.88
O=C([O-])CC1CCCN1C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300002725496	0	38	-2.0	-122.89	327.14	6.75	-116.14
O=C([O-])CC1CCCN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300002725517	1	36	-2.0	-126.16	299.85	7.85	-118.31
O=C([O-])CC1CCCN1C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300002725535	0	38	-2.0	-116.57	336.68	5.50	-111.07
O=C([O-])CC1CCCN1C(=O)C1=CN=C(I)C([O-])=C1	REAL300002725573	0	30	-2.0	-120.34	275.84	5.17	-115.17
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCCC3CC(=O)[O-])=N2)=C1	REAL300002725622	0	41	-2.0	-129.72	345.48	7.33	-122.39
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCCC2CC(=O)[O-])=N1	REAL300002725623	0	44	-2.0	-127.39	358.98	8.33	-119.06
CC1=C(CC(=O)N2CCCC2CC(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002725664	1	44	-2.0	-118.94	367.29	5.60	-113.34
O=C([O-])CC1CCCN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300002725696	0	31	-2.0	-112.66	276.28	6.68	-105.98
CCOC1=CC(C(=O)N2CCCC2CC(=O)[O-])=CC(Cl)=C1[O-]	REAL300002725780	1	38	-2.0	-118.45	321.09	7.65	-110.80
O=C([O-])CC1CCCN1C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300002725784	0	41	-2.0	-157.21	348.23	8.65	-148.56
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCCC3CC(=O)[O-])=N2)C=C1	REAL300002725791	0	42	-2.0	-124.65	350.20	5.98	-118.67
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCCC2CC(=O)[O-])=CO1	REAL300002725808	1	35	-2.0	-121.99	304.56	1.93	-120.06
O=C([O-])CC1CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300002725928	0	34	-2.0	-87.29	295.34	4.36	-82.93
O=C([O-])CC1CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300002725928	1	34	-2.0	-87.31	295.41	4.38	-82.93
O=C([O-])CC1CCCN1C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300002726188	1	39	-2.0	-100.59	314.08	4.79	-95.80
O=C([O-])CC1CCCN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300002726391	0	31	-2.0	-135.88	286.25	7.94	-127.94
CC1=C(C(=O)N2CCCC2CC(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300002726614	0	39	-2.0	-134.62	331.96	5.41	-129.21
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)O1	REAL300002727678	1	42	-2.0	-84.61	386.12	0.29	-84.32
COC1=CC=C(C(=O)NC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)C([O-])=C1	REAL300002728654	1	42	-2.0	-106.27	361.01	5.21	-101.06
CC(NC(=O)C1=CC=C(NC(=O)C2=CC=C([O-])C(F)=C2)C=C1)C(=O)[O-]	REAL300002729139	1	38	-2.0	-88.45	339.68	4.49	-83.96
CC(NC(=O)C1=CC=C(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C=C1)C(=O)[O-]	REAL300002729154	1	41	-2.0	-99.55	370.63	6.90	-92.65
CC(NC(=O)C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1)C(=O)[O-]	REAL300002729215	0	38	-2.0	-88.42	337.26	2.57	-85.85
CC(NC(=O)C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1)C(=O)[O-]	REAL300002729215	1	38	-2.0	-88.36	337.32	2.59	-85.77
CC(NC(=O)C1=CC=C(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)C=C1)C(=O)[O-]	REAL300002729307	1	43	-2.0	-84.53	373.40	4.05	-80.48
CC(NC(=O)C1=CC=C(NC(=O)C2=CN=CC([O-])=C2)C=C1)C(=O)[O-]	REAL300002729333	1	37	-2.0	-91.11	328.81	2.60	-88.51
CC(NC(=O)C1=CC=C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C=C1)C(=O)[O-]	REAL300002729469	0	43	-2.0	-103.52	374.10	6.56	-96.96
CC(NC(=O)C1=CC=C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C=C1)C(=O)[O-]	REAL300002729739	0	38	-2.0	-86.70	355.98	5.01	-81.69
CC(NC(=O)C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1)C(=O)[O-]	REAL300002729849	0	41	-2.0	-97.77	358.92	3.33	-94.44
CC(NC(=O)C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1)C(=O)[O-]	REAL300002729849	1	41	-2.0	-97.79	358.98	3.34	-94.45
CC(NC(=O)C1=CC=C(NC(=O)C2=CC=C([O-])C(Cl)=C2)C=C1)C(=O)[O-]	REAL300002729881	0	38	-2.0	-85.54	349.78	4.96	-80.58
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)=CO1	REAL300002729911	1	42	-2.0	-95.09	385.74	0.21	-94.88
CC(NC(=O)C1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1)C(=O)[O-]	REAL300002730047	0	41	-2.0	-82.34	369.41	3.16	-79.18
CC(NC(=O)C1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1)C(=O)[O-]	REAL300002730047	1	41	-2.0	-82.31	369.35	3.16	-79.15
CC(NC(=O)C1=CC=C(NC(=O)C2=C[N-]N=CC2=O)C=C1)C(=O)[O-]	REAL300002730279	0	36	-2.0	-78.31	321.04	3.03	-75.28
COCC1=NC=C(C(=O)NC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)C(=O)[N-]1	REAL300002730310	1	43	-2.0	-84.94	375.58	1.69	-83.25
CC(NC(=O)C1=CC=C(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C=C1)C(=O)[O-]	REAL300002730351	1	46	-2.0	-85.10	389.48	4.57	-80.53
CC(NC(=O)C1=CC=C(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C=C1)C(=O)[O-]	REAL300002730620	0	38	-2.0	-95.20	364.70	6.94	-88.26
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])O1	REAL300002732225	1	41	-2.0	-105.42	356.27	3.63	-101.79
CC(C)C(=O)[N-]C1=NC(CC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])=CS1	REAL300002732677	1	48	-2.0	-104.65	400.89	8.15	-96.50
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=CC=C([O-])C(F)=C1	REAL300002733759	1	37	-2.0	-111.80	307.81	7.31	-104.49
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300002733770	1	40	-2.0	-104.91	343.61	9.56	-95.35
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)CCC1=N[N-]N=N1	REAL300002733804	0	37	-2.0	-100.25	313.32	6.90	-93.35
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)CCC1=NN=N[N-]1	REAL300002733804	1	37	-2.0	-100.24	313.38	6.92	-93.32
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300002733875	0	43	-2.0	-105.02	363.72	5.36	-99.66
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300002733900	1	42	-2.0	-122.54	350.97	6.84	-115.70
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=CN=CC([O-])=C1	REAL300002733937	1	36	-2.0	-109.14	298.52	5.54	-103.60
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])=N1	REAL300002734018	0	47	-2.0	-129.64	391.31	10.58	-119.06
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300002734023	0	44	-2.0	-126.94	371.69	9.70	-117.24
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300002734054	1	42	-2.0	-126.78	344.81	11.14	-115.64
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N(CC3=CC=CC=C3)C(C)C(=O)[O-])=N2)=C1	REAL300002734192	0	47	-2.0	-131.56	389.02	10.05	-121.51
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])=N1	REAL300002734193	0	50	-2.0	-133.02	407.98	10.45	-122.57
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300002734304	0	37	-2.0	-102.99	323.52	8.79	-94.20
COC1=C(C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])NC(=O)[N-]C1=O	REAL300002734315	1	40	-2.0	-101.73	339.91	2.03	-99.70
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL300002734395	0	40	-2.0	-94.62	331.08	6.76	-87.86
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL300002734395	1	40	-2.0	-94.62	331.14	6.78	-87.84
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300002734427	0	37	-2.0	-110.36	316.23	7.73	-102.63
CCOC1=CC(C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300002734431	1	44	-2.0	-109.72	370.51	8.86	-100.86
COC1=CC=C(N2C=C([O-])C(C(=O)N(CC3=CC=CC=C3)C(C)C(=O)[O-])=N2)C=C1	REAL300002734437	0	48	-2.0	-127.06	392.73	8.64	-118.42
C[N-]S(=O)(=O)C1=CC(C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])=CO1	REAL300002734453	1	41	-2.0	-101.50	350.66	3.35	-98.15
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300002734593	0	40	-2.0	-98.52	338.45	7.46	-91.06
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300002734593	1	40	-2.0	-98.52	338.52	7.50	-91.02
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=C[N-]N=CC1=O	REAL300002734831	0	35	-2.0	-108.36	299.54	6.04	-102.32
COCC1=NC=C(C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])C(=O)[N-]1	REAL300002734855	1	42	-2.0	-116.01	352.47	4.64	-111.37
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300002734898	1	45	-2.0	-122.96	366.73	7.38	-115.58
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300002735145	0	37	-2.0	-109.74	329.56	9.65	-100.09
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])O1	REAL300002736742	1	41	-2.0	-112.15	371.74	4.61	-107.54
CC(C)C(=O)[N-]C1=NC(CC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=CS1	REAL300002737194	1	48	-2.0	-102.29	417.82	8.97	-93.32
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)C1=CC=C([O-])C(F)=C1	REAL300002738276	1	37	-2.0	-103.53	323.07	8.29	-95.24
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300002738287	1	40	-2.0	-105.63	354.30	10.51	-95.12
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)CCC1=N[N-]N=N1	REAL300002738321	0	37	-2.0	-97.69	326.89	6.86	-90.83
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)CCC1=NN=N[N-]1	REAL300002738321	1	37	-2.0	-97.66	326.94	6.87	-90.79
CS(=O)(=O)[N-]C1=CC=C(C(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C=N1	REAL300002738392	0	43	-2.0	-114.01	381.04	6.40	-107.61
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300002738417	1	42	-2.0	-125.59	368.13	7.81	-117.78
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)C1=CN=CC([O-])=C1	REAL300002738454	1	36	-2.0	-99.47	312.64	6.38	-93.09
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=N1	REAL300002738535	0	47	-2.0	-127.27	405.22	10.94	-116.33
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300002738540	0	44	-2.0	-125.13	384.50	10.35	-114.78
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300002738571	1	42	-2.0	-129.88	358.70	11.68	-118.20
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N(CCC3=CC=CC=C3)CC(=O)[O-])=N2)=C1	REAL300002738709	0	47	-2.0	-136.32	404.70	10.92	-125.40
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=N1	REAL300002738710	0	50	-2.0	-134.25	418.68	11.90	-122.35
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300002738821	0	37	-2.0	-98.73	339.08	8.84	-89.89
COC1=C(C(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])NC(=O)[N-]C1=O	REAL300002738832	1	40	-2.0	-101.99	357.24	2.93	-99.06
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL300002738912	0	40	-2.0	-96.78	348.39	7.64	-89.14
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL300002738912	1	40	-2.0	-96.78	348.44	7.65	-89.13
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300002738944	0	37	-2.0	-99.31	332.87	8.77	-90.54
CCOC1=CC(C(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=CC(Cl)=C1[O-]	REAL300002738948	1	44	-2.0	-105.19	386.76	9.92	-95.27
COC1=CC=C(N2C=C([O-])C(C(=O)N(CCC3=CC=CC=C3)CC(=O)[O-])=N2)C=C1	REAL300002738954	0	48	-2.0	-130.53	407.58	9.58	-120.95
C[N-]S(=O)(=O)C1=CC(C(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=CO1	REAL300002738970	1	41	-2.0	-107.95	369.50	4.22	-103.73
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300002739110	0	40	-2.0	-96.48	354.12	8.16	-88.32
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300002739110	1	40	-2.0	-96.51	354.18	8.17	-88.34
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)C1=C[N-]N=CC1=O	REAL300002739348	0	35	-2.0	-110.53	315.96	6.89	-103.64
COCC1=NC=C(C(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C(=O)[N-]1	REAL300002739372	1	42	-2.0	-123.19	369.97	5.46	-117.73
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300002739415	1	45	-2.0	-126.04	383.88	8.36	-117.68
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300002739662	0	37	-2.0	-103.54	347.02	10.62	-92.92
CC1=C(CCC(=O)NCCC(C)(C)C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300002740404	1	53	-2.0	-97.95	417.57	5.90	-92.05
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300002740750	0	43	-2.0	-97.39	359.73	3.71	-93.68
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCC(C)(C)C(=O)[O-]	REAL300002741060	0	43	-2.0	-98.50	359.22	3.93	-94.57
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300002741106	1	45	-2.0	-103.09	381.21	8.84	-94.25
CC(C)(CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300002741288	1	47	-2.0	-97.28	398.31	5.90	-91.38
CC(C)(CCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300002741289	1	47	-2.0	-99.44	398.48	5.90	-93.54
CC1=CC(C(=O)NCCC(C)(C)C(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300002741302	0	43	-2.0	-82.40	380.32	4.10	-78.30
CC(C)(CCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300002741533	0	44	-2.0	-96.00	390.82	4.92	-91.08
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCCC(C)(C)C(=O)[O-])O1	REAL300002741552	1	46	-2.0	-91.66	386.23	2.15	-89.51
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCCC(C)(C)C(=O)[O-])O1	REAL300002741553	1	37	-2.0	-90.98	330.20	-0.27	-91.25
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300002741790	0	47	-2.0	-104.08	393.86	1.93	-102.15
CC(C)(CCNC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300002741834	0	40	-2.0	-97.10	337.75	3.02	-94.08
CC(C)(CCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C(=O)[O-]	REAL300002741841	0	44	-2.0	-97.78	390.42	4.91	-92.87
CC(C)C(=O)[N-]C1=NC(CC(=O)NCCC(C)(C)C(=O)[O-])=CS1	REAL300002742190	1	44	-2.0	-97.26	372.54	4.14	-93.12
CC(C)(CCNC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300002742405	0	40	-2.0	-91.75	344.75	3.11	-88.64
CC1=C(CC(=O)NCCC(C)(C)C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002742412	1	46	-2.0	-103.10	383.38	4.34	-98.76
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCC(C)(C)C(=O)[O-]	REAL300002742417	0	46	-2.0	-99.00	380.72	4.71	-94.29
CC1=C(C(=O)NCCC(C)(C)C(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300002742480	1	46	-2.0	-97.20	361.84	4.52	-92.68
CC(C)(CCNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300002742578	1	47	-2.0	-93.19	398.47	5.91	-87.28
CC(C)(CCNC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300002743130	0	46	-2.0	-101.73	384.22	5.29	-96.44
CC(C)(CCNC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300002743299	1	36	-2.0	-97.14	314.49	6.52	-90.62
CC(C)(CCNC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300002743388	0	39	-2.0	-94.61	339.39	2.07	-92.54
CC(C)(CCNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300002743450	1	46	-2.0	-89.61	393.51	4.12	-85.49
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCCC(C)(C)C(=O)[O-])=N2)=C1	REAL300002743465	0	49	-2.0	-110.69	398.99	7.11	-103.58
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCCC(C)(C)C(=O)[O-])=N2)C=C1	REAL300002743466	0	49	-2.0	-109.25	398.33	7.09	-102.16
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCCC(C)(C)C(=O)[O-])=N1	REAL300002743534	0	43	-2.0	-106.04	366.45	6.21	-99.83
CC(C)(CCNC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300002743538	0	40	-2.0	-106.79	345.13	5.26	-101.53
CC(C)(CCNC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(=O)[O-]	REAL300002743560	1	38	-2.0	-108.74	317.71	6.13	-102.61
CC(C)(CCNC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300002743578	0	40	-2.0	-84.12	360.61	3.36	-80.76
CC(C)(CCNC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300002743618	0	32	-2.0	-87.49	299.85	3.08	-84.41
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCCC(C)(C)C(=O)[O-])=N2)=C1	REAL300002743668	0	43	-2.0	-113.20	363.47	5.84	-107.36
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCCC(C)(C)C(=O)[O-])=N1	REAL300002743669	0	46	-2.0	-111.54	379.40	6.92	-104.62
CC1=C(CC(=O)NCCC(C)(C)C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002743714	1	46	-2.0	-101.62	382.65	4.29	-97.33
CC(C)(CCNC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300002743748	0	33	-2.0	-88.00	299.57	4.51	-83.49
CCOC1=CC(C(=O)NCCC(C)(C)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300002743834	1	40	-2.0	-92.30	345.00	5.49	-86.81
CC(C)(CCNC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300002743838	0	43	-2.0	-114.43	368.04	6.62	-107.81
COC1=CC=C(N2C=C([O-])C(C(=O)NCCC(C)(C)C(=O)[O-])=N2)C=C1	REAL300002743845	0	44	-2.0	-109.35	367.62	4.48	-104.87
C[N-]S(=O)(=O)C1=CC(C(=O)NCCC(C)(C)C(=O)[O-])=CO1	REAL300002743862	1	37	-2.0	-92.36	329.34	-0.31	-92.67
CC(C)(CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300002743983	0	36	-2.0	-84.72	313.11	2.59	-82.13
CC(C)(CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300002743983	1	36	-2.0	-84.74	313.17	2.61	-82.13
CC(C)(CCNC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(=O)[O-]	REAL300002744248	1	41	-2.0	-95.81	332.37	4.01	-91.80
CC(C)(CCNC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300002744464	0	33	-2.0	-93.88	307.96	6.54	-87.34
CC1=C(C(=O)NCCC(C)(C)C(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300002744696	0	41	-2.0	-100.29	342.07	3.61	-96.68
CC([N-]C(=O)C(F)(F)C1=CC=CC=C1)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300002745271	1	36	-2.0	-121.89	346.04	9.15	-112.74
CC(NC(=O)C1=CC=C([O-])C(F)=C1)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300002746000	1	34	-2.0	-99.25	325.72	7.52	-91.73
CC(NC(=O)CCC1=N[N-]N=N1)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300002746042	0	34	-2.0	-96.21	323.18	5.57	-90.64
CC(NC(=O)CCC1=NN=N[N-]1)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300002746042	1	34	-2.0	-96.17	323.24	5.57	-90.60
CC(NC(=O)C1=CN=CC([O-])=C1)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300002746109	1	33	-2.0	-105.07	314.56	5.64	-99.43
CC(NC(=O)CCCC1=N[N-]N=N1)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300002746376	0	37	-2.0	-105.93	344.68	6.34	-99.59
CC(NC(=O)CCCC1=NN=N[N-]1)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300002746376	1	37	-2.0	-105.92	344.74	6.36	-99.56
CC(NC(=O)C1=CC=C([O-])C(Cl)=C1)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300002746394	0	34	-2.0	-97.17	335.51	8.02	-89.15
CC(NC(=O)C1=C[N-]N=CC1=O)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300002746594	0	32	-2.0	-98.09	306.78	6.07	-92.02
CC([N-]C(=O)C(F)(F)C1=CC=CN=C1)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300002746656	1	35	-2.0	-119.65	341.03	7.35	-112.30
CN1C=C(C(F)(F)C(=O)[N-]C(C)(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)C=N1	REAL300002746952	1	36	-2.0	-118.22	350.50	6.95	-111.27
O=C([O-])C1=CC=CC=C1CC1CCN(C(=O)C2=CC=C([O-])C(F)=C2)CC1	REAL300002748928	1	44	-2.0	-97.69	355.59	8.91	-88.78
O=C([O-])C1=CC=CC=C1CC1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300002748999	0	44	-2.0	-91.55	354.29	7.36	-84.19
O=C([O-])C1=CC=CC=C1CC1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300002748999	1	44	-2.0	-91.52	354.35	7.37	-84.15
O=C([O-])C1=CC=CC=C1CC1CCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)CC1	REAL300002749075	1	49	-2.0	-102.07	396.33	8.42	-93.65
O=C([O-])C1=CC=CC=C1CC1CCN(C(=O)C2=CN=CC([O-])=C2)CC1	REAL300002749092	1	43	-2.0	-95.70	344.66	6.93	-88.77
O=C([O-])C1=CC=CC=C1CC1CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)CC1	REAL300002749202	1	49	-2.0	-115.99	389.63	11.45	-104.54
O=C([O-])C1=CC=CC=C1CC1CCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)CC1	REAL300002749443	0	44	-2.0	-93.54	371.70	9.47	-84.07
COC1=C(C(=O)N2CCC(CC3=CC=CC=C3C(=O)[O-])CC2)NC(=O)[N-]C1=O	REAL300002749462	1	47	-2.0	-93.89	384.82	3.44	-90.45
O=C([O-])C1=CC=CC=C1CC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300002749542	0	47	-2.0	-99.73	375.91	8.16	-91.57
O=C([O-])C1=CC=CC=C1CC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300002749542	1	47	-2.0	-99.77	375.97	8.17	-91.60
O=C([O-])C1=CC=CC=C1CC1CCN(C(=O)C2=CC=C([O-])C(Cl)=C2)CC1	REAL300002749571	0	44	-2.0	-94.26	365.41	9.41	-84.85
O=C([O-])C1=CC=CC=C1CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300002749705	0	47	-2.0	-88.17	383.90	8.40	-79.77
O=C([O-])C1=CC=CC=C1CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300002749705	1	47	-2.0	-88.14	383.97	8.40	-79.74
O=C([O-])C1=CC=CC=C1CC1CCN(C(=O)C2=C[N-]N=CC2=O)CC1	REAL300002749893	0	42	-2.0	-91.57	344.33	7.42	-84.15
COCC1=NC=C(C(=O)N2CCC(CC3=CC=CC=C3C(=O)[O-])CC2)C(=O)[N-]1	REAL300002749917	1	49	-2.0	-100.12	390.58	5.88	-94.24
O=C([O-])C1=CC=CC=C1CC1CCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)CC1	REAL300002749953	1	52	-2.0	-102.74	406.78	8.88	-93.86
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=C(OC)C=C2)O1	REAL300002751691	1	39	-2.0	-99.06	361.91	0.68	-98.38
COC1=CC=C(C(NC(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)C(=O)[O-])C=C1	REAL300002752136	1	46	-2.0	-118.66	403.89	5.02	-113.64
COC1=CC=C(C(NC(=O)C2=CC=C([O-])C(F)=C2)C(=O)[O-])C=C1	REAL300002753219	1	35	-2.0	-102.70	314.87	4.92	-97.78
COC1=CC=C(C(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C(=O)[O-])C=C1	REAL300002753230	1	38	-2.0	-121.59	345.62	7.46	-114.13
COC1=CC=C(C(NC(=O)CCC2=N[N-]N=N2)C(=O)[O-])C=C1	REAL300002753264	0	35	-2.0	-99.26	312.92	2.93	-96.33
COC1=CC=C(C(NC(=O)CCC2=NN=N[N-]2)C(=O)[O-])C=C1	REAL300002753264	1	35	-2.0	-99.23	312.98	2.94	-96.29
COC1=CC=C(C(NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C(=O)[O-])C=C1	REAL300002753334	0	41	-2.0	-106.71	370.11	3.02	-103.69
COC1=CC=C(C(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)C(=O)[O-])C=C1	REAL300002753359	1	40	-2.0	-115.33	348.26	4.43	-110.90
COC1=CC=C(C(NC(=O)C2=CN=CC([O-])=C2)C(=O)[O-])C=C1	REAL300002753396	1	34	-2.0	-106.64	304.31	2.94	-103.70
COC1=CC=C(C(NC(=O)C2=NN(C3=CC=C(F)C=C3C)C=C2[O-])C(=O)[O-])C=C1	REAL300002753477	0	45	-2.0	-131.62	397.80	7.09	-124.53
COC1=CC=C(C(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C(=O)[O-])C=C1	REAL300002753482	0	42	-2.0	-132.75	375.86	6.19	-126.56
COC1=CC=C(C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C(=O)[O-])C=C1	REAL300002753513	1	40	-2.0	-138.22	349.42	7.08	-131.14
COC1=CC=C(C(NC(=O)C2=NN(C3=CC(C)=CC=C3F)C=C2[O-])C(=O)[O-])C=C1	REAL300002753652	0	45	-2.0	-139.99	394.80	6.71	-133.28
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(C(=O)[O-])C2=CC=C(OC)C=C2)=N1	REAL300002753653	0	48	-2.0	-138.82	411.30	7.81	-131.01
COC1=CC=C(C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C(=O)[O-])C=C1	REAL300002753764	0	35	-2.0	-99.98	331.26	5.49	-94.49
COC1=CC=C(C(NC(=O)C2=C(OC)C(=O)[N-]C(=O)N2)C(=O)[O-])C=C1	REAL300002753776	1	38	-2.0	-101.35	337.43	0.55	-100.80
COC1=CC=C(C(NC(=O)CCCC2=N[N-]N=N2)C(=O)[O-])C=C1	REAL300002753854	0	38	-2.0	-107.21	333.82	3.75	-103.46
COC1=CC=C(C(NC(=O)CCCC2=NN=N[N-]2)C(=O)[O-])C=C1	REAL300002753854	1	38	-2.0	-107.23	333.88	3.77	-103.46
COC1=CC=C(C(NC(=O)C2=CC=C([O-])C(Cl)=C2)C(=O)[O-])C=C1	REAL300002753886	0	35	-2.0	-100.74	325.27	5.36	-95.38
CCOC1=CC(C(=O)NC(C(=O)[O-])C2=CC=C(OC)C=C2)=CC(Cl)=C1[O-]	REAL300002753890	1	42	-2.0	-105.08	375.72	6.44	-98.64
COC1=CC=C(C(NC(=O)C2=NN(C3=CC=C(OC)C=C3)C=C2[O-])C(=O)[O-])C=C1	REAL300002753896	0	46	-2.0	-135.07	399.53	5.37	-129.70
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C(=O)[O-])C2=CC=C(OC)C=C2)=CO1	REAL300002753912	1	39	-2.0	-105.06	361.24	0.60	-104.46
COC1=CC=C(C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(=O)[O-])C=C1	REAL300002754053	0	38	-2.0	-93.69	345.06	3.48	-90.21
COC1=CC=C(C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(=O)[O-])C=C1	REAL300002754053	1	38	-2.0	-93.71	345.13	3.49	-90.22
COC1=CC=C(C(NC(=O)C2=C[N-]N=CC2=O)C(=O)[O-])C=C1	REAL300002754291	0	33	-2.0	-104.70	295.94	3.45	-101.25
COCC1=NC=C(C(=O)NC(C(=O)[O-])C2=CC=C(OC)C=C2)C(=O)[N-]1	REAL300002754315	1	40	-2.0	-114.30	350.11	2.09	-112.21
COC1=CC=C(C(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C(=O)[O-])C=C1	REAL300002754358	1	43	-2.0	-115.75	364.26	4.93	-110.82
COC1=CC=C(C(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C(=O)[O-])C=C1	REAL300002754605	0	35	-2.0	-117.64	339.26	7.47	-110.17
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300002755687	0	41	-2.0	-113.02	359.65	4.51	-108.51
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300002755942	0	41	-2.0	-113.67	359.86	4.76	-108.91
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)O1	REAL300002756338	1	35	-2.0	-90.81	328.53	1.07	-89.74
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300002756568	0	38	-2.0	-108.74	338.62	3.84	-104.90
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)=CS1	REAL300002756887	1	42	-2.0	-100.36	375.27	5.47	-94.89
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300002757092	0	38	-2.0	-91.18	345.06	3.88	-87.30
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300002758222	1	31	-2.0	-94.57	279.58	4.75	-89.82
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300002758235	1	34	-2.0	-114.70	314.50	7.14	-107.56
O=C([O-])C1(C(F)(F)F)CCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300002758276	0	31	-2.0	-85.14	282.45	3.31	-81.83
O=C([O-])C1(C(F)(F)F)CCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300002758276	1	31	-2.0	-85.10	282.51	3.32	-81.78
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C=N1	REAL300002758363	0	37	-2.0	-91.69	337.72	2.92	-88.77
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2=CN=CC([O-])=C2)C1	REAL300002758440	1	30	-2.0	-92.26	268.25	2.87	-89.39
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1	REAL300002758554	0	38	-2.0	-109.65	344.06	6.74	-102.91
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300002758600	1	36	-2.0	-118.99	316.06	7.81	-111.18
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)=N1	REAL300002758767	0	44	-2.0	-115.64	378.26	8.36	-107.28
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300002758902	0	31	-2.0	-85.17	298.56	5.37	-79.80
COC1=C(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)NC(=O)[N-]C1=O	REAL300002758920	1	34	-2.0	-92.48	302.41	0.98	-91.50
O=C([O-])C1(C(F)(F)F)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300002759020	0	34	-2.0	-93.18	304.99	4.11	-89.07
O=C([O-])C1(C(F)(F)F)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300002759020	1	34	-2.0	-93.19	305.05	4.12	-89.07
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2=CC=C([O-])C(Cl)=C2)C1	REAL300002759060	0	31	-2.0	-91.70	289.38	5.22	-86.48
CCOC1=CC(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)=CC(Cl)=C1[O-]	REAL300002759063	1	38	-2.0	-88.53	343.41	6.35	-82.18
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC(C(=O)[O-])(C(F)(F)F)C3)=N2)C=C1	REAL300002759072	0	42	-2.0	-112.15	367.13	5.98	-106.17
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)=CO1	REAL300002759096	1	35	-2.0	-99.06	325.94	0.74	-98.32
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300002759264	0	34	-2.0	-82.09	311.69	4.35	-77.74
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300002759264	1	34	-2.0	-82.05	311.76	4.35	-77.70
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300002759557	0	29	-2.0	-89.87	272.62	3.42	-86.45
COCC1=NC=C(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C(=O)[N-]1	REAL300002759592	1	36	-2.0	-113.07	326.63	2.04	-111.03
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300002759962	0	31	-2.0	-109.82	308.57	7.17	-102.65
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C(=O)NC(C2=CC=CO2)=N1	REAL300002760264	0	39	-2.0	-110.76	351.82	4.39	-106.37
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300002760264	1	39	-2.0	-110.76	351.82	4.39	-106.37
C=CCOCC(NC(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O)C(=O)[O-]	REAL300002760833	1	52	-2.0	-108.82	429.88	5.18	-103.64
C=CCOCC(NC(=O)C1=CC(C)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300002761188	0	42	-2.0	-118.06	372.04	3.02	-115.04
C=CCOCC(NC(=O)C1=CC=CC=C1[N-]S(=O)(=O)CC)C(=O)[O-]	REAL300002761498	0	42	-2.0	-119.56	372.12	3.25	-116.31
C=CCOCC(NC(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1)C(=O)[O-]	REAL300002761548	1	44	-2.0	-129.55	394.10	8.15	-121.40
C=CCOCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300002762000	1	45	-2.0	-101.27	398.06	1.46	-99.81
C=CCOCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C)O1)C(=O)[O-]	REAL300002762001	1	36	-2.0	-100.36	343.09	-0.97	-101.33
C=CCOCC(NC(=O)C1=CC(NC(C)=O)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300002762232	0	46	-2.0	-122.86	406.74	1.23	-121.63
C=CCOCC(NC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300002762278	0	39	-2.0	-117.82	350.65	2.35	-115.47
C=CCOCC(NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1)C(=O)[O-]	REAL300002762650	1	43	-2.0	-112.23	384.35	3.45	-108.78
C=CCOCC(NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300002762887	0	39	-2.0	-110.14	357.06	2.41	-107.73
C=CCOCC(NC(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O)C(=O)[O-]	REAL300002762890	1	45	-2.0	-117.52	395.70	3.63	-113.89
C=CCOCC(NC(=O)C1=CC=CC=C1[N-]S(=O)(=O)CCC)C(=O)[O-]	REAL300002762893	0	45	-2.0	-120.29	393.48	4.08	-116.21
C=CCOCC(NC(=O)C1=C(C)N=C(C(C)(C)C)[N-]C1=O)C(=O)[O-]	REAL300002762964	1	45	-2.0	-115.70	374.67	3.87	-111.83
C=CCOCC(NC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300002763728	0	45	-2.0	-122.90	396.40	4.64	-118.26
C=CCOCC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300002763922	1	35	-2.0	-119.38	326.80	5.81	-113.57
C=CCOCC(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300002764023	0	38	-2.0	-106.86	351.21	1.39	-105.47
C=CCOCC(NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C(=O)[O-]	REAL300002764053	1	37	-2.0	-114.48	329.11	2.78	-111.70
C=CCOCC(NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-])C(=O)[O-]	REAL300002764107	0	48	-2.0	-135.81	411.30	6.41	-129.40
C=CCOCC(NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])C(=O)[O-]	REAL300002764108	0	48	-2.0	-134.09	411.23	6.41	-127.68
C=CCOCC(NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-])C(=O)[O-]	REAL300002764186	0	42	-2.0	-130.58	378.77	5.51	-125.07
C=CCOCC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300002764191	0	39	-2.0	-131.61	357.31	4.60	-127.01
C=CCOCC(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(=O)[O-]	REAL300002764217	1	37	-2.0	-135.82	330.12	5.44	-130.38
C=CCOCC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300002764237	0	39	-2.0	-98.85	372.92	2.65	-96.20
C=CCOCC(NC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300002764286	0	31	-2.0	-102.22	312.16	2.38	-99.84
C=CCOCC(NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-])C(=O)[O-]	REAL300002764351	0	42	-2.0	-138.66	375.79	5.14	-133.52
C=CCOCC(NC(=O)C1=NN(C2=CC=CC=C2CC)C=C1[O-])C(=O)[O-]	REAL300002764352	0	45	-2.0	-137.58	392.17	6.26	-131.32
C=CCOCC(NC(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O)C(=O)[O-]	REAL300002764412	1	45	-2.0	-115.36	394.97	3.58	-111.78
C=CCOCC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300002764457	0	32	-2.0	-99.38	312.47	3.83	-95.55
C=CCOCC(NC(=O)C1=C(OC)C(=O)[N-]C(=O)N1)C(=O)[O-]	REAL300002764465	1	35	-2.0	-100.38	318.13	-1.09	-101.47
C=CCOCC(NC(=O)C1=CC(Cl)=C([O-])C(OCC)=C1)C(=O)[O-]	REAL300002764571	1	39	-2.0	-104.70	357.31	4.81	-99.89
C=CCOCC(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300002764575	0	42	-2.0	-140.12	380.80	5.97	-134.15
C=CCOCC(NC(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-])C(=O)[O-]	REAL300002764583	0	43	-2.0	-134.06	380.38	3.83	-130.23
C=CCOCC(NC(=O)C1=COC(S(=O)(=O)[N-]C)=C1)C(=O)[O-]	REAL300002764603	1	36	-2.0	-104.43	342.23	-0.99	-105.42
C=CCOCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300002764734	0	35	-2.0	-93.77	326.00	1.90	-91.87
C=CCOCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300002764734	1	35	-2.0	-93.78	326.07	1.91	-91.87
C=CCOCC(NC(=O)C1=CN=C(COC)[N-]C1=O)C(=O)[O-]	REAL300002765011	1	37	-2.0	-112.81	330.79	0.42	-112.39
C=CCOCC(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(=O)[O-]	REAL300002765052	1	40	-2.0	-114.56	344.86	3.33	-111.23
C=CCOCC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300002765312	0	32	-2.0	-116.45	320.72	5.89	-110.56
C=CCOCC(NC(=O)C1=C(C)N=C(C2=CC=CO2)[N-]C1=O)C(=O)[O-]	REAL300002765572	0	40	-2.0	-118.33	355.04	2.89	-115.44
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC(CC(F)F)C(=O)[O-])=C1	REAL300002766413	0	37	-2.0	-110.41	336.04	3.74	-106.67
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CC(F)F)C(=O)[O-]	REAL300002766725	0	37	-2.0	-111.23	335.28	4.01	-107.22
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC(CC(F)F)C(=O)[O-])C=C1	REAL300002766774	1	39	-2.0	-123.35	359.00	8.68	-114.67
O=C([O-])C(CC(F)F)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300002766955	1	41	-2.0	-103.80	375.21	5.95	-97.85
O=C([O-])C(CC(F)F)NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300002766956	1	41	-2.0	-107.40	374.55	5.99	-101.41
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC(F)F)C(=O)[O-])O1	REAL300002767225	1	40	-2.0	-92.63	361.60	2.11	-90.52
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC(F)F)C(=O)[O-])O1	REAL300002767226	1	31	-2.0	-94.33	307.10	-0.24	-94.57
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC(CC(F)F)C(=O)[O-])=C1	REAL300002767460	0	41	-2.0	-117.61	371.62	1.78	-115.83
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CC(F)F)C(=O)[O-]	REAL300002767504	0	34	-2.0	-111.42	315.55	2.87	-108.55
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(CC(F)F)C(=O)[O-])=CS1	REAL300002767876	1	38	-2.0	-108.02	349.74	3.98	-104.04
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC(CC(F)F)C(=O)[O-]	REAL300002768109	0	34	-2.0	-102.77	320.23	3.17	-99.60
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CC(F)F)C(=O)[O-]	REAL300002768121	0	40	-2.0	-111.86	356.78	4.80	-107.06
O=C([O-])C(CC(F)F)NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300002768287	1	41	-2.0	-96.29	374.54	5.98	-90.31
O=C([O-])C(CC(F)F)[N-]C(=O)C(F)(F)C1=CC=C(Br)C=C1	REAL300002768524	1	29	-2.0	-115.89	299.96	5.53	-110.36
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NC(CC(F)F)C(=O)[O-]	REAL300002768894	0	40	-2.0	-116.49	362.27	5.09	-111.40
O=C([O-])C(CC(F)F)NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300002769081	1	30	-2.0	-111.33	289.97	6.57	-104.76
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(CC(F)F)C(=O)[O-])C=N1	REAL300002769181	0	33	-2.0	-100.41	315.45	2.15	-98.26
O=C([O-])C(CC(F)F)NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300002769250	1	40	-2.0	-93.83	371.31	3.98	-89.85
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC(CC(F)F)C(=O)[O-])=N2)=C1	REAL300002769266	0	43	-2.0	-126.44	376.20	6.94	-119.50
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(CC(F)F)C(=O)[O-])=N2)C=C1	REAL300002769267	0	43	-2.0	-125.57	374.40	7.17	-118.40
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(CC(F)F)C(=O)[O-])=N1	REAL300002769340	0	37	-2.0	-121.77	344.50	5.99	-115.78
O=C([O-])C(CC(F)F)NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300002769344	0	34	-2.0	-122.73	320.62	5.32	-117.41
O=C([O-])C(CC(F)F)NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300002769367	1	32	-2.0	-127.06	295.50	5.96	-121.10
O=C([O-])C(CC(F)F)NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300002769386	0	34	-2.0	-93.16	338.66	3.14	-90.02
O=C([O-])C(CC(F)F)NC(=O)C1=CN=C(I)C([O-])=C1	REAL300002769434	0	26	-2.0	-96.09	277.89	2.86	-93.23
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(CC(F)F)C(=O)[O-])=N2)=C1	REAL300002769494	0	37	-2.0	-129.89	339.79	5.86	-124.03
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CC(F)F)C(=O)[O-])=N1	REAL300002769495	0	40	-2.0	-128.51	356.30	6.94	-121.57
O=C([O-])C(CC(F)F)NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300002769588	0	27	-2.0	-93.84	278.20	4.33	-89.51
COC1=C(C(=O)NC(CC(F)F)C(=O)[O-])NC(=O)[N-]C1=O	REAL300002769595	1	30	-2.0	-95.19	284.35	-0.62	-95.81
CCOC1=CC(C(=O)NC(CC(F)F)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300002769695	1	34	-2.0	-98.19	322.21	5.35	-92.84
O=C([O-])C(CC(F)F)NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300002769699	0	37	-2.0	-129.76	346.67	6.41	-123.35
COC1=CC=C(N2C=C([O-])C(C(=O)NC(CC(F)F)C(=O)[O-])=N2)C=C1	REAL300002769707	0	38	-2.0	-125.24	343.68	4.55	-120.69
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CC(F)F)C(=O)[O-])=CO1	REAL300002769728	1	31	-2.0	-100.48	307.97	-0.50	-100.98
O=C([O-])C(CC(F)F)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300002769853	0	30	-2.0	-87.84	290.00	2.64	-85.20
O=C([O-])C(CC(F)F)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300002769853	1	30	-2.0	-87.78	290.07	2.64	-85.14
O=C([O-])C(CC(F)F)[N-]C(=O)C(F)(F)C1=CC=CC(Br)=C1	REAL300002769992	1	29	-2.0	-121.56	299.06	5.86	-115.70
COCC1=NC=C(C(=O)NC(CC(F)F)C(=O)[O-])C(=O)[N-]1	REAL300002770114	1	32	-2.0	-104.92	294.45	1.18	-103.74
O=C([O-])C(CC(F)F)NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300002770401	0	27	-2.0	-107.71	284.86	6.55	-101.16
CC1=CC(F)=CC=C1C(F)(F)C(=O)[N-]C(CC(F)F)C(=O)[O-]	REAL300002770478	1	32	-2.0	-119.40	298.10	5.70	-113.70
CC1=C(C(=O)NC(CC(F)F)C(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300002770651	1	35	-2.0	-106.84	320.78	3.39	-103.45
CC1=CC=C(F)C=C1C(F)(F)C(=O)NC(CC(F)F)C(=O)[O-]	REAL300002770787	0	32	-2.0	-116.19	292.59	6.12	-110.07
CC1=CC=C(F)C=C1C(F)(F)C(=O)[N-]C(CC(F)F)C(=O)[O-]	REAL300002770787	1	32	-2.0	-116.19	292.59	6.12	-110.07
COC1=CC=C(C(NC(=O)C2=CC=C([O-])C(F)=C2)C(=O)[O-])C=C1Br	REAL300002771337	1	35	-2.0	-101.18	335.92	5.54	-95.64
COC1=CC=C(C(NC(=O)CCC2=N[N-]N=N2)C(=O)[O-])C=C1Br	REAL300002771373	0	35	-2.0	-98.05	333.37	3.57	-94.48
COC1=CC=C(C(NC(=O)CCC2=NN=N[N-]2)C(=O)[O-])C=C1Br	REAL300002771373	1	35	-2.0	-98.00	333.42	3.59	-94.41
COC1=CC=C(C(NC(=O)C2=CN=CC([O-])=C2)C(=O)[O-])C=C1Br	REAL300002771403	1	34	-2.0	-105.52	324.51	3.71	-101.81
COC1=CC=C(C(NC(=O)CCCC2=N[N-]N=N2)C(=O)[O-])C=C1Br	REAL300002771516	0	38	-2.0	-105.20	354.24	4.42	-100.78
COC1=CC=C(C(NC(=O)CCCC2=NN=N[N-]2)C(=O)[O-])C=C1Br	REAL300002771516	1	38	-2.0	-105.23	354.30	4.44	-100.79
COC1=CC=C(C(NC(=O)C2=C[N-]N=CC2=O)C(=O)[O-])C=C1Br	REAL300002771608	0	33	-2.0	-102.06	316.72	4.13	-97.93
CC1=C(CCC(=O)N2CCC(C)CC2C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300002772014	1	54	-2.0	-120.93	415.29	8.92	-112.01
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCC(C)CC2C(=O)[O-])C=C1	REAL300002772564	1	46	-2.0	-135.42	380.08	11.64	-123.78
CC1CCN(C(=O)C2=CC=C(S(=O)(=O)[N-]C(C)(C)C)O2)C(C(=O)[O-])C1	REAL300002772925	1	47	-2.0	-102.66	371.90	5.02	-97.64
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(C)CC2C(=O)[O-])O1	REAL300002772926	1	38	-2.0	-101.48	318.29	2.49	-98.99
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC(C)CC2C(=O)[O-])=CS1	REAL300002773425	1	45	-2.0	-133.49	370.23	7.15	-126.34
CC1=C(CC(=O)N2CCC(C)CC2C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002773617	1	47	-2.0	-138.77	380.11	7.40	-131.37
CC1CCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C(C(=O)[O-])C1	REAL300002774391	1	37	-2.0	-134.55	311.41	8.27	-126.28
CC1CCN(C(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C(C(=O)[O-])C1	REAL300002774467	0	40	-2.0	-114.83	335.08	4.81	-110.02
CC1CCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C(C(=O)[O-])C1	REAL300002774485	1	39	-2.0	-120.89	316.39	6.10	-114.79
CC(C)C1=CC(N2C=C([O-])C(C(=O)N3CCC(C)CC3C(=O)[O-])=N2)=CC=C1	REAL300002774533	0	50	-2.0	-150.19	392.99	10.13	-140.06
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC(C)CC3C(=O)[O-])=N2)C=C1	REAL300002774534	0	50	-2.0	-149.26	392.91	10.13	-139.13
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC(C)CC2C(=O)[O-])=N1	REAL300002774586	0	44	-2.0	-146.07	360.22	9.25	-136.82
CC1CCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C(C(=O)[O-])C1	REAL300002774591	0	41	-2.0	-147.81	339.13	8.28	-139.53
CC1CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C(C(=O)[O-])C1	REAL300002774609	1	39	-2.0	-152.71	305.36	8.59	-144.12
CC1CCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)C(C(=O)[O-])C1	REAL300002774627	0	41	-2.0	-98.49	357.85	5.87	-92.62
CC1CCN(C(=O)C2=CN=C(I)C([O-])=C2)C(C(=O)[O-])C1	REAL300002774667	0	33	-2.0	-111.55	295.86	5.70	-105.85
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC(C)CC3C(=O)[O-])=N2)=C1	REAL300002774715	0	44	-2.0	-154.74	357.48	8.87	-145.87
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC(C)CC2C(=O)[O-])=N1	REAL300002774716	0	47	-2.0	-152.48	372.66	9.88	-142.60
CC1=C(CC(=O)N2CCC(C)CC2C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002774758	1	47	-2.0	-137.01	380.30	7.40	-129.61
CC1CCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C(C(=O)[O-])C1	REAL300002774793	0	34	-2.0	-107.64	296.25	7.23	-100.41
COC1=C(C(=O)N2CCC(C)CC2C(=O)[O-])NC(=O)[N-]C1=O	REAL300002774799	1	37	-2.0	-105.73	308.92	0.98	-104.75
CCOC1=CC(C(=O)N2CCC(C)CC2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300002774877	1	41	-2.0	-112.74	341.85	8.28	-104.46
CC1CCN(C(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])C(C(=O)[O-])C1	REAL300002774880	0	44	-2.0	-152.65	351.30	9.05	-143.60
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC(C)CC3C(=O)[O-])=N2)C=C1	REAL300002774885	0	45	-2.0	-148.87	362.20	7.51	-141.36
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(C)CC2C(=O)[O-])=CO1	REAL300002774896	1	38	-2.0	-116.03	318.42	2.40	-113.63
CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C(=O)[O-])C1	REAL300002775002	0	37	-2.0	-98.54	308.64	5.86	-92.68
CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C(=O)[O-])C1	REAL300002775002	1	37	-2.0	-98.51	308.71	5.86	-92.65
COCC1=NC=C(C(=O)N2CCC(C)CC2C(=O)[O-])C(=O)[N-]1	REAL300002775213	1	39	-2.0	-119.28	313.70	3.69	-115.59
CC1CCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C(C(=O)[O-])C1	REAL300002775247	1	42	-2.0	-121.13	332.14	6.64	-114.49
CC1CCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C(C(=O)[O-])C1	REAL300002775442	0	34	-2.0	-129.76	305.46	8.29	-121.47
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N(C)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300002776432	1	45	-2.0	-102.45	379.14	5.94	-96.51
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N(C)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002776696	1	45	-2.0	-103.51	379.22	6.17	-97.34
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)C2=CC=C(OCC(=O)[O-])C=C2)O1	REAL300002777107	1	39	-2.0	-87.20	350.21	2.57	-84.63
CN(C(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002777342	0	42	-2.0	-102.09	357.75	5.27	-96.82
CC(C)C(=O)[N-]C1=NC(CC(=O)N(C)C2=CC=C(OCC(=O)[O-])C=C2)=CS1	REAL300002777671	1	46	-2.0	-103.37	404.18	7.25	-96.12
CN(C(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002777885	0	42	-2.0	-95.50	363.15	5.42	-90.08
CC1=C(C(=O)N(C)C2=CC=C(OCC(=O)[O-])C=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300002777974	1	48	-2.0	-102.50	392.80	6.62	-95.88
COC1=CC=C(C(=O)N(C)C2=CC=C(OCC(=O)[O-])C=C2)C([O-])=C1	REAL300002778466	1	39	-2.0	-113.25	325.02	6.85	-106.40
CN(C(=O)C1=CC=C([O-])C(F)=C1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002779028	1	35	-2.0	-92.46	302.17	6.34	-86.12
CN(C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1=CC=C(OCC(=O)[O-])C=C1	REAL300002779041	1	38	-2.0	-103.74	333.87	8.43	-95.31
CN(C(=O)CCC1=N[N-]N=N1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002779082	0	35	-2.0	-89.25	313.23	5.14	-84.11
CN(C(=O)CCC1=NN=N[N-]1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002779082	1	35	-2.0	-89.21	313.28	5.16	-84.05
CN(C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002779170	0	41	-2.0	-93.31	359.26	4.35	-88.96
CN(C(=O)C1=CN=C(C2CC2)[N-]C1=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002779206	1	40	-2.0	-99.08	346.35	5.75	-93.33
CN(C(=O)C1=CN=CC([O-])=C1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002779250	1	34	-2.0	-96.02	291.51	4.32	-91.70
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(C)C2=CC=C(OCC(=O)[O-])C=C2)=N1	REAL300002779362	0	45	-2.0	-109.04	382.88	9.12	-99.92
CN(C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1=CC=C(OCC(=O)[O-])C=C1	REAL300002779367	0	42	-2.0	-110.94	364.47	8.23	-102.71
CN(C(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002779413	0	40	-2.0	-111.16	336.88	9.34	-101.82
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N(C)C3=CC=C(OCC(=O)[O-])C=C3)=N2)=C1	REAL300002779582	0	45	-2.0	-116.63	382.81	8.79	-107.84
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(C)C2=CC=C(OCC(=O)[O-])C=C2)=N1	REAL300002779583	0	48	-2.0	-114.07	398.37	9.82	-104.25
CN(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002779719	0	35	-2.0	-90.65	318.51	6.90	-83.75
CN(C(=O)CCCC1=N[N-]N=N1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002779837	0	38	-2.0	-99.25	334.66	5.93	-93.32
CN(C(=O)CCCC1=NN=N[N-]1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002779837	1	38	-2.0	-99.26	334.72	5.95	-93.31
CN(C(=O)C1=CC=C([O-])C(Cl)=C1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002779877	0	35	-2.0	-89.45	311.97	6.83	-82.62
CCOC1=CC(C(=O)N(C)C2=CC=C(OCC(=O)[O-])C=C2)=CC(Cl)=C1[O-]	REAL300002779881	1	42	-2.0	-93.63	363.39	7.87	-85.76
COC1=CC=C(N2C=C([O-])C(C(=O)N(C)C3=CC=C(OCC(=O)[O-])C=C3)=N2)C=C1	REAL300002779890	0	46	-2.0	-111.51	387.54	7.45	-104.06
C[N-]S(=O)(=O)C1=CC(C(=O)N(C)C2=CC=C(OCC(=O)[O-])C=C2)=CO1	REAL300002779914	1	39	-2.0	-98.66	346.50	2.17	-96.49
CN(C(=O)C1=C(C(=O)C2=CC=CC=C2)[N-]C=N1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002780007	0	43	-2.0	-95.80	361.35	11.73	-84.07
CN(C(=O)C1=C(C(=O)C2=CC=CC=C2)N=C[N-]1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002780007	1	43	-2.0	-95.79	361.34	11.72	-84.07
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002780082	0	38	-2.0	-84.64	332.32	5.95	-78.69
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002780082	1	38	-2.0	-84.58	332.38	5.96	-78.62
CN(C(=O)C1=C[N-]N=CC1=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002780381	0	33	-2.0	-88.73	294.02	4.85	-83.88
COCC1=NC=C(C(=O)N(C)C2=CC=C(OCC(=O)[O-])C=C2)C(=O)[N-]1	REAL300002780417	1	40	-2.0	-89.96	341.41	3.32	-86.64
CN(C(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002780467	1	43	-2.0	-99.05	362.10	6.30	-92.75
CN(C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=CC=C(OCC(=O)[O-])C=C1	REAL300002780793	0	35	-2.0	-99.80	328.44	8.55	-91.25
CC1=C(C(=O)N(C)C2=CC=C(OCC(=O)[O-])C=C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300002781101	0	43	-2.0	-105.01	372.84	5.68	-99.33
O=C([O-])C[C@@H](NC(=O)C1=CC=C([O-])C(F)=C1)C1=CC=CC2=CC=CC=C21	REAL300002783099	1	40	-2.0	-105.98	349.66	8.93	-97.05
O=C([O-])C[C@@H](NC(=O)CCC1=N[N-]N=N1)C1=CC=CC2=CC=CC=C21	REAL300002783152	0	40	-2.0	-100.93	347.09	6.97	-93.96
O=C([O-])C[C@@H](NC(=O)CCC1=NN=N[N-]1)C1=CC=CC2=CC=CC=C21	REAL300002783152	1	40	-2.0	-100.89	347.15	6.99	-93.90
O=C([O-])C[C@@H](NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C1=CC=CC2=CC=CC=C21	REAL300002783215	1	45	-2.0	-120.15	380.55	8.62	-111.53
O=C([O-])C[C@@H](NC(=O)C1=CN=CC([O-])=C1)C1=CC=CC2=CC=CC=C21	REAL300002783233	1	39	-2.0	-107.94	338.20	7.14	-100.80
O=C([O-])C[C@@H](NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=CC=CC2=CC=CC=C21	REAL300002783315	1	45	-2.0	-137.30	383.78	11.08	-126.22
O=C([O-])C[C@@H](NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=CC=CC2=CC=CC=C21	REAL300002783525	0	40	-2.0	-101.85	365.36	9.59	-92.26
COC1=C(C(=O)N[C@H](CC(=O)[O-])C2=CC=CC3=CC=CC=C32)NC(=O)[N-]C1=O	REAL300002783538	1	43	-2.0	-103.27	370.80	4.70	-98.57
O=C([O-])C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC2=CC=CC=C21	REAL300002783602	0	43	-2.0	-106.62	368.29	7.87	-98.75
O=C([O-])C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC2=CC=CC=C21	REAL300002783602	1	43	-2.0	-106.65	368.35	7.88	-98.77
O=C([O-])C[C@@H](NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=CC=CC2=CC=CC=C21	REAL300002783629	0	40	-2.0	-103.44	359.46	9.41	-94.03
O=C([O-])C[C@@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC2=CC=CC=C21	REAL300002783746	0	43	-2.0	-96.69	379.18	7.54	-89.15
O=C([O-])C[C@@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC2=CC=CC=C21	REAL300002783746	1	43	-2.0	-96.70	379.25	7.57	-89.13
O=C([O-])C[C@@H](NC(=O)C1=C[N-]N=CC1=O)C1=CC=CC2=CC=CC=C21	REAL300002783908	0	38	-2.0	-108.74	330.41	7.58	-101.16
COCC1=NC=C(C(=O)N[C@H](CC(=O)[O-])C2=CC=CC3=CC=CC=C32)C(=O)[N-]1	REAL300002783926	1	45	-2.0	-118.46	382.65	6.21	-112.25
O=C([O-])C[C@@H](NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1=CC=CC2=CC=CC=C21	REAL300002783961	1	48	-2.0	-119.95	396.38	9.18	-110.77
O=C([O-])C[C@H](NC(=O)C1=CC=C([O-])C(F)=C1)C1=CC2=CC=CC=C2C=C1	REAL300002786232	1	40	-2.0	-103.77	353.38	8.99	-94.78
O=C([O-])C[C@H](NC(=O)CCC1=N[N-]N=N1)C1=CC2=CC=CC=C2C=C1	REAL300002786285	0	40	-2.0	-98.99	343.89	6.23	-92.76
O=C([O-])C[C@H](NC(=O)CCC1=NN=N[N-]1)C1=CC2=CC=CC=C2C=C1	REAL300002786285	1	40	-2.0	-99.04	343.95	6.25	-92.79
O=C([O-])C[C@H](NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C1=CC2=CC=CC=C2C=C1	REAL300002786348	1	45	-2.0	-119.26	377.06	8.77	-110.49
O=C([O-])C[C@H](NC(=O)C1=CN=CC([O-])=C1)C1=CC2=CC=CC=C2C=C1	REAL300002786366	1	39	-2.0	-104.68	342.42	6.97	-97.71
O=C([O-])C[C@H](NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=CC2=CC=CC=C2C=C1	REAL300002786448	1	45	-2.0	-132.38	380.58	10.33	-122.05
O=C([O-])C[C@H](NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=CC2=CC=CC=C2C=C1	REAL300002786658	0	40	-2.0	-100.12	369.60	9.45	-90.67
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CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)=N1	REAL300002804394	0	50	-2.0	-143.67	424.63	9.83	-133.84
CC1=CC(C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C(=O)[O-])=CC(C)=C1	REAL300002804505	0	37	-2.0	-102.62	344.81	7.44	-95.18
COC1=C(C(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)NC(=O)[N-]C1=O	REAL300002804516	1	40	-2.0	-103.17	350.95	2.50	-100.67
CC1=CC(C(NC(=O)CCCC2=N[N-]N=N2)C(=O)[O-])=CC(C)=C1	REAL300002804596	0	40	-2.0	-109.96	347.80	5.72	-104.24
CC1=CC(C(NC(=O)CCCC2=NN=N[N-]2)C(=O)[O-])=CC(C)=C1	REAL300002804596	1	40	-2.0	-109.94	347.86	5.74	-104.20
CC1=CC(C)=CC(C(NC(=O)C2=CC=C([O-])C(Cl)=C2)C(=O)[O-])=C1	REAL300002804628	0	37	-2.0	-103.71	338.39	7.46	-96.25
CCOC1=CC(C(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)=CC(Cl)=C1[O-]	REAL300002804632	1	44	-2.0	-108.22	389.69	8.43	-99.79
COC1=CC=C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3=CC(C)=CC(C)=C3)=N2)C=C1	REAL300002804638	0	48	-2.0	-139.59	412.66	7.47	-132.12
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)=CO1	REAL300002804654	1	41	-2.0	-107.07	374.61	2.63	-104.44
CC1=CC(C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(=O)[O-])=CC(C)=C1	REAL300002804794	0	40	-2.0	-96.34	358.15	5.58	-90.76
CC1=CC(C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(=O)[O-])=CC(C)=C1	REAL300002804794	1	40	-2.0	-96.29	358.21	5.59	-90.70
CC1=CC(C(NC(=O)C2=C[N-]N=CC2=O)C(=O)[O-])=CC(C)=C1	REAL300002805032	0	35	-2.0	-109.94	309.90	5.41	-104.53
COCC1=NC=C(C(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)C(=O)[N-]1	REAL300002805056	1	42	-2.0	-119.70	363.67	4.05	-115.65
CC1=CC(C(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C(=O)[O-])=CC(C)=C1	REAL300002805099	1	45	-2.0	-120.94	377.34	7.01	-113.93
CC1=CC(C(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C(=O)[O-])=CC(C)=C1	REAL300002805346	0	37	-2.0	-121.54	353.01	9.52	-112.02
COC1=CC=C(C(NC(=O)C2=CC=C([O-])C(F)=C2)C(=O)[O-])C=C1Cl	REAL300002807547	1	35	-2.0	-101.04	331.53	5.42	-95.62
COC1=CC=C(C(NC(=O)CCC2=N[N-]N=N2)C(=O)[O-])C=C1Cl	REAL300002807600	0	35	-2.0	-97.86	328.98	3.46	-94.40
COC1=CC=C(C(NC(=O)CCC2=NN=N[N-]2)C(=O)[O-])C=C1Cl	REAL300002807600	1	35	-2.0	-97.91	329.03	3.47	-94.44
COC1=CC=C(C(NC(=O)C2=CN=CC([O-])=C2)C(=O)[O-])C=C1Cl	REAL300002807681	1	34	-2.0	-105.42	320.13	3.59	-101.83
COC1=CC=C(C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C(=O)[O-])C=C1Cl	REAL300002807763	1	40	-2.0	-135.85	365.45	7.64	-128.21
COC1=CC=C(C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C(=O)[O-])C=C1Cl	REAL300002807973	0	35	-2.0	-97.97	347.53	5.97	-92.00
COC1=CC=C(C(NC(=O)C2=C(OC)C(=O)[N-]C(=O)N2)C(=O)[O-])C=C1Cl	REAL300002807986	1	38	-2.0	-100.06	353.66	1.05	-99.01
COC1=CC=C(C(NC(=O)CCCC2=N[N-]N=N2)C(=O)[O-])C=C1Cl	REAL300002808050	0	38	-2.0	-105.12	349.85	4.31	-100.81
COC1=CC=C(C(NC(=O)CCCC2=NN=N[N-]2)C(=O)[O-])C=C1Cl	REAL300002808050	1	38	-2.0	-105.14	349.91	4.33	-100.81
COC1=CC=C(C(NC(=O)C2=CC=C([O-])C(Cl)=C2)C(=O)[O-])C=C1Cl	REAL300002808077	0	35	-2.0	-98.94	341.33	5.92	-93.02
COC1=CC=C(C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(=O)[O-])C=C1Cl	REAL300002808194	0	38	-2.0	-93.50	360.85	4.13	-89.37
COC1=CC=C(C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(=O)[O-])C=C1Cl	REAL300002808194	1	38	-2.0	-93.45	360.92	4.13	-89.32
COC1=CC=C(C(NC(=O)C2=C[N-]N=CC2=O)C(=O)[O-])C=C1Cl	REAL300002808356	0	33	-2.0	-101.87	312.34	4.02	-97.85
COCC1=NC=C(C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(Cl)=C2)C(=O)[N-]1	REAL300002808374	1	40	-2.0	-110.84	366.11	2.63	-108.21
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)O1	REAL300002810069	1	41	-2.0	-101.75	362.10	2.40	-99.35
CC1=CC=CC(C(NC(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)C(=O)[O-])=C1C	REAL300002810521	1	48	-2.0	-116.78	404.37	6.74	-110.04
CC1=CC=CC(C(NC(=O)C2=CC=C([O-])C(F)=C2)C(=O)[O-])=C1C	REAL300002811603	1	37	-2.0	-104.74	315.05	6.61	-98.13
CC1=CC=CC(C(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C(=O)[O-])=C1C	REAL300002811614	1	40	-2.0	-124.36	347.07	9.21	-115.15
CC1=CC=CC(C(NC(=O)CCC2=N[N-]N=N2)C(=O)[O-])=C1C	REAL300002811648	0	37	-2.0	-101.28	313.44	4.63	-96.65
CC1=CC=CC(C(NC(=O)CCC2=NN=N[N-]2)C(=O)[O-])=C1C	REAL300002811648	1	37	-2.0	-101.25	313.49	4.65	-96.60
CC1=CC=CC(C(NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C(=O)[O-])=C1C	REAL300002811719	0	43	-2.0	-109.51	371.22	4.68	-104.83
CC1=CC=CC(C(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)C(=O)[O-])=C1C	REAL300002811744	1	42	-2.0	-119.87	351.43	6.19	-113.68
CC1=CC=CC(C(NC(=O)C2=CN=CC([O-])=C2)C(=O)[O-])=C1C	REAL300002811781	1	36	-2.0	-109.00	304.85	4.71	-104.29
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)=N1	REAL300002811862	0	47	-2.0	-135.07	398.33	8.81	-126.26
CC1=CC=CC(C(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C(=O)[O-])=C1C	REAL300002811867	0	44	-2.0	-136.06	377.01	7.85	-128.21
CC1=CC=CC(C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C(=O)[O-])=C1C	REAL300002811898	1	42	-2.0	-142.16	350.87	8.82	-133.34
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3=CC=CC(C)=C3C)=N2)=C1	REAL300002812036	0	47	-2.0	-143.69	395.35	8.44	-135.25
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)=N1	REAL300002812037	0	50	-2.0	-142.19	404.87	9.58	-132.61
CC1=CC=CC(C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C(=O)[O-])=C1C	REAL300002812148	0	37	-2.0	-101.40	331.46	7.18	-94.22
COC1=C(C(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)NC(=O)[N-]C1=O	REAL300002812159	1	40	-2.0	-102.65	339.12	2.26	-100.39
CC1=CC=CC(C(NC(=O)CCCC2=N[N-]N=N2)C(=O)[O-])=C1C	REAL300002812239	0	40	-2.0	-108.74	334.38	5.46	-103.28
CC1=CC=CC(C(NC(=O)CCCC2=NN=N[N-]2)C(=O)[O-])=C1C	REAL300002812239	1	40	-2.0	-108.77	334.44	5.47	-103.30
CC1=CC=CC(C(NC(=O)C2=CC=C([O-])C(Cl)=C2)C(=O)[O-])=C1C	REAL300002812271	0	37	-2.0	-102.79	324.85	7.10	-95.69
CCOC1=CC(C(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)=CC(Cl)=C1[O-]	REAL300002812275	1	44	-2.0	-107.25	376.31	8.16	-99.09
COC1=CC=C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3=CC=CC(C)=C3C)=N2)C=C1	REAL300002812281	0	48	-2.0	-138.72	400.07	7.08	-131.64
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)=CO1	REAL300002812297	1	41	-2.0	-106.54	364.63	2.42	-104.12
CC1=CC=CC(C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(=O)[O-])=C1C	REAL300002812437	0	40	-2.0	-95.28	345.01	5.27	-90.01
CC1=CC=CC(C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(=O)[O-])=C1C	REAL300002812437	1	40	-2.0	-95.29	345.07	5.27	-90.02
CC1=CC=CC(C(NC(=O)C2=C[N-]N=CC2=O)C(=O)[O-])=C1C	REAL300002812675	0	35	-2.0	-108.80	297.79	5.23	-103.57
COCC1=NC=C(C(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)C(=O)[N-]1	REAL300002812699	1	42	-2.0	-117.99	350.30	3.78	-114.21
CC1=CC=CC(C(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C(=O)[O-])=C1C	REAL300002812742	1	45	-2.0	-120.15	367.18	6.73	-113.42
CC1=CC=CC(C(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C(=O)[O-])=C1C	REAL300002812989	0	37	-2.0	-120.83	343.26	9.23	-111.60
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)O1	REAL300002814355	1	39	-2.0	-96.82	368.35	0.70	-96.12
COC1=CC=C(C(NC(=O)C2=CC=C([O-])C(F)=C2)C(=O)[O-])C=C1F	REAL300002815670	1	35	-2.0	-101.10	321.48	5.01	-96.09
COC1=CC=C(C(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C(=O)[O-])C=C1F	REAL300002815682	1	38	-2.0	-118.77	352.04	7.46	-111.31
COC1=CC=C(C(NC(=O)CCC2=N[N-]N=N2)C(=O)[O-])C=C1F	REAL300002815721	0	35	-2.0	-97.98	318.93	3.05	-94.93
COC1=CC=C(C(NC(=O)CCC2=NN=N[N-]2)C(=O)[O-])C=C1F	REAL300002815721	1	35	-2.0	-97.96	318.99	3.06	-94.90
COC1=CC=C(C(NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C(=O)[O-])C=C1F	REAL300002815777	0	41	-2.0	-107.64	376.98	3.03	-104.61
COC1=CC=C(C(NC(=O)C2=CN=CC([O-])=C2)C(=O)[O-])C=C1F	REAL300002815824	1	34	-2.0	-105.45	310.32	3.11	-102.34
COC1=CC=C(C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C(=O)[O-])C=C1F	REAL300002815928	1	40	-2.0	-135.76	355.64	7.16	-128.60
COC1=CC=C(C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C(=O)[O-])C=C1F	REAL300002816158	0	35	-2.0	-97.92	337.73	5.49	-92.43
COC1=CC=C(C(NC(=O)C2=C(OC)C(=O)[N-]C(=O)N2)C(=O)[O-])C=C1F	REAL300002816171	1	38	-2.0	-100.43	343.86	0.56	-99.87
COC1=CC=C(C(NC(=O)CCCC2=N[N-]N=N2)C(=O)[O-])C=C1F	REAL300002816242	0	38	-2.0	-105.61	340.65	3.77	-101.84
COC1=CC=C(C(NC(=O)CCCC2=NN=N[N-]2)C(=O)[O-])C=C1F	REAL300002816242	1	38	-2.0	-105.63	340.71	3.78	-101.85
COC1=CC=C(C(NC(=O)C2=CC=C([O-])C(Cl)=C2)C(=O)[O-])C=C1F	REAL300002816271	0	35	-2.0	-98.84	331.52	5.42	-93.42
CCOC1=CC(C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)=CC(Cl)=C1[O-]	REAL300002816274	1	42	-2.0	-103.33	382.33	6.54	-96.79
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)=CO1	REAL300002816295	1	39	-2.0	-104.62	367.25	0.73	-103.89
COC1=CC=C(C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(=O)[O-])C=C1F	REAL300002816420	0	38	-2.0	-94.23	351.29	3.58	-90.65
COC1=CC=C(C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(=O)[O-])C=C1F	REAL300002816420	1	38	-2.0	-94.22	351.35	3.57	-90.65
COC1=CC=C(C(NC(=O)C2=C[N-]N=CC2=O)C(=O)[O-])C=C1F	REAL300002816623	0	33	-2.0	-101.36	302.77	3.46	-97.90
COCC1=NC=C(C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)C(=O)[N-]1	REAL300002816645	1	40	-2.0	-110.08	356.31	2.15	-107.93
COC1=CC=C(C(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C(=O)[O-])C=C1F	REAL300002816899	0	35	-2.0	-115.99	346.12	7.50	-108.49
COC1=CC=C(C([N-]C(=O)C(F)(F)C2=CC=C(F)C=C2C)C(=O)[O-])C=C1F	REAL300002816981	1	40	-2.0	-125.17	354.89	7.14	-118.03
COC1=CC=C(C([N-]C(=O)C(F)(F)C2=CC(F)=CC=C2C)C(=O)[O-])C=C1F	REAL300002817285	1	40	-2.0	-133.92	360.47	6.73	-127.19
O=C([O-])CN(CC1=CC=C(C(F)(F)F)C=C1)C(=O)C1=CC=C([O-])C(F)=C1	REAL300002818540	1	37	-2.0	-99.37	339.22	8.52	-90.85
O=C([O-])CN(CC1=CC=C(C(F)(F)F)C=C1)C(=O)CCC1=N[N-]N=N1	REAL300002818583	0	37	-2.0	-93.89	343.22	7.08	-86.81
O=C([O-])CN(CC1=CC=C(C(F)(F)F)C=C1)C(=O)CCC1=NN=N[N-]1	REAL300002818583	1	37	-2.0	-93.86	343.28	7.10	-86.76
O=C([O-])CN(CC1=CC=C(C(F)(F)F)C=C1)C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300002818638	1	42	-2.0	-107.53	371.38	6.96	-100.57
O=C([O-])CN(CC1=CC=C(C(F)(F)F)C=C1)C(=O)C1=CN=CC([O-])=C1	REAL300002818650	1	36	-2.0	-108.31	330.11	6.73	-101.58
O=C([O-])CN(CC1=CC=C(C(F)(F)F)C=C1)C(=O)CCCC1=N[N-]N=N1	REAL300002818925	0	40	-2.0	-92.37	364.72	7.86	-84.51
O=C([O-])CN(CC1=CC=C(C(F)(F)F)C=C1)C(=O)CCCC1=NN=N[N-]1	REAL300002818925	1	40	-2.0	-92.34	364.78	7.88	-84.46
O=C([O-])CN(CC1=CC=C(C(F)(F)F)C=C1)C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300002818944	0	37	-2.0	-94.95	349.00	9.01	-85.94
O=C([O-])CN(CC1=CC=C(C(F)(F)F)C=C1)C(=O)C1=C[N-]N=CC1=O	REAL300002819146	0	35	-2.0	-95.45	317.41	6.31	-89.14
COCC1=NC=C(C(=O)N(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C(=O)[N-]1	REAL300002819159	1	42	-2.0	-105.36	373.48	4.55	-100.81
CC1=C(CCC(=O)N2CCC(C(=O)[O-])C2C)C(=O)[N-]C(N2CCOCC2)=N1	REAL300002819818	1	51	-2.0	-101.04	396.20	7.04	-94.00
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC(C(=O)[O-])C2C)=C1	REAL300002820166	0	41	-2.0	-106.91	342.51	4.42	-102.49
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])C1C	REAL300002820476	0	41	-2.0	-104.11	339.17	4.65	-99.46
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCC(C(=O)[O-])C2C)C=C1	REAL300002820522	1	43	-2.0	-111.37	368.77	10.17	-101.20
CC1C(C(=O)[O-])CCN1C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300002820704	1	45	-2.0	-98.75	381.32	6.74	-92.01
CC1C(C(=O)[O-])CCN1C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300002820705	1	45	-2.0	-101.54	375.96	6.69	-94.85
CC1=CC(C(=O)N2CCC(C(=O)[O-])C2C)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300002820718	0	41	-2.0	-83.68	361.41	4.93	-78.75
CC1C(C(=O)[O-])CCN1C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300002820950	0	42	-2.0	-101.28	373.24	5.74	-95.54
CC1C(C(=O)[O-])CCN1C(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300002820968	1	44	-2.0	-87.86	363.96	3.36	-84.50
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(C(=O)[O-])C2C)O1	REAL300002820969	1	35	-2.0	-87.16	308.51	0.96	-86.20
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC(C(=O)[O-])C2C)=C1	REAL300002821209	0	45	-2.0	-113.59	377.56	2.65	-110.94
CC1C(C(=O)[O-])CCN1C(=O)C1=CC=CC=C1[N-]S(C)(=O)=O	REAL300002821255	0	38	-2.0	-102.71	317.72	3.75	-98.96
CC1C(C(=O)[O-])CCN1C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300002821263	0	42	-2.0	-94.01	367.89	5.69	-88.32
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC(C(=O)[O-])C2C)=CS1	REAL300002821615	1	42	-2.0	-113.15	359.12	5.50	-107.65
CC1C(C(=O)[O-])CCN1C(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O	REAL300002821823	0	38	-2.0	-99.04	327.53	3.83	-95.21
CC1=C(CC(=O)N2CCC(C(=O)[O-])C2C)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002821830	1	44	-2.0	-113.09	367.79	5.52	-107.57
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])C1C	REAL300002821835	0	44	-2.0	-104.76	360.67	5.44	-99.32
CC1=C(C(=O)N2CCC(C(=O)[O-])C2C)C(=O)[N-]C(C(C)(C)C)=N1	REAL300002821897	1	44	-2.0	-100.45	350.20	5.39	-95.06
CC1C(C(=O)[O-])CCN1C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300002821996	1	45	-2.0	-95.27	381.49	6.74	-88.53
CC1C(C(=O)[O-])CCN1C(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O	REAL300002822545	0	44	-2.0	-101.23	359.71	5.80	-95.43
CC1C(C(=O)[O-])CCN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300002822714	1	34	-2.0	-103.87	293.84	6.95	-96.92
CC1C(C(=O)[O-])CCN1C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300002822801	0	37	-2.0	-93.38	315.39	2.76	-90.62
CC1C(C(=O)[O-])CCN1C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300002822862	1	44	-2.0	-91.72	376.54	4.97	-86.75
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC(C(=O)[O-])C3C)=N2)=C1	REAL300002822877	0	47	-2.0	-117.55	381.01	8.54	-109.01
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC(C(=O)[O-])C3C)=N2)C=C1	REAL300002822878	0	47	-2.0	-116.38	380.93	8.53	-107.85
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC(C(=O)[O-])C2C)=N1	REAL300002822947	0	41	-2.0	-110.58	344.13	7.59	-102.99
CC1C(C(=O)[O-])CCN1C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300002822951	0	38	-2.0	-114.62	327.16	6.68	-107.94
CC1C(C(=O)[O-])CCN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300002822972	1	36	-2.0	-114.17	295.61	7.75	-106.42
CC1C(C(=O)[O-])CCN1C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300002822990	0	38	-2.0	-86.54	337.50	4.12	-82.42
CC1C(C(=O)[O-])CCN1C(=O)C1=CN=C(I)C([O-])=C1	REAL300002823028	0	30	-2.0	-89.47	274.22	3.49	-85.98
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC(C(=O)[O-])C3C)=N2)=C1	REAL300002823077	0	41	-2.0	-115.77	343.29	7.07	-108.70
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC(C(=O)[O-])C2C)=N1	REAL300002823078	0	44	-2.0	-117.06	355.93	8.23	-108.83
CC1=C(CC(=O)N2CCC(C(=O)[O-])C2C)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002823119	1	44	-2.0	-111.79	367.97	5.52	-106.27
CC1C(C(=O)[O-])CCN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300002823151	0	31	-2.0	-87.43	275.25	5.22	-82.21
CCOC1=CC(C(=O)N2CCC(C(=O)[O-])C2C)=CC(Cl)=C1[O-]	REAL300002823235	1	38	-2.0	-94.19	326.06	6.31	-87.88
CC1C(C(=O)[O-])CCN1C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300002823239	0	41	-2.0	-118.40	347.88	7.84	-110.56
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC(C(=O)[O-])C3C)=N2)C=C1	REAL300002823246	0	42	-2.0	-116.42	350.22	5.92	-110.50
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(C(=O)[O-])C2C)=CO1	REAL300002823263	1	35	-2.0	-93.29	305.40	0.62	-92.67
CC1C(C(=O)[O-])CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300002823383	0	34	-2.0	-84.76	295.36	4.30	-80.46
CC1C(C(=O)[O-])CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300002823383	1	34	-2.0	-84.71	295.42	4.32	-80.39
CC1C(C(=O)[O-])CCN1C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300002823643	1	39	-2.0	-103.82	320.21	4.84	-98.98
CC1C(C(=O)[O-])CCN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300002823846	0	31	-2.0	-99.67	287.89	7.00	-92.67
CC1=C(C(=O)N2CCC(C(=O)[O-])C2C)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300002824069	0	39	-2.0	-103.05	330.29	4.48	-98.57
CCCN(CC(=O)[O-])C(=O)CCC1=C(C)N=C(N2CCOCC2)NC1=O	REAL300002824420	0	50	-2.0	-117.26	402.95	7.68	-109.58
CCCN(CC(=O)[O-])C(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O	REAL300002824420	1	50	-2.0	-117.26	402.95	7.68	-109.58
CCCN(CC(=O)[O-])C(=O)C1=CC=CC(S(=O)(=O)NC2=CC=C(F)C=C2)=C1	REAL300002824838	0	44	-2.0	-91.18	384.54	7.27	-83.91
CCCN(CC(=O)[O-])C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1	REAL300002824838	1	44	-2.0	-91.18	384.54	7.27	-83.91
CCCN(CC(=O)[O-])C(=O)CN1C(=S)NN=C1C1=CC=C(C)C=C1	REAL300002824896	0	42	-2.0	-122.11	367.18	10.60	-111.51
CCCN(CC(=O)[O-])C(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1	REAL300002824896	1	42	-2.0	-122.11	367.18	10.60	-111.51
CCCN(CC(=O)[O-])C(=O)C1=CC=C(NS(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300002824941	0	44	-2.0	-105.26	385.05	7.35	-97.91
CCCN(CC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300002824941	1	44	-2.0	-105.26	385.05	7.35	-97.91
CCCN(CC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)NC2=CC=CC=C2C)C=C1	REAL300002824943	0	47	-2.0	-98.19	398.71	8.04	-90.15
CCCN(CC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C)C=C1	REAL300002824943	1	47	-2.0	-98.19	398.71	8.04	-90.15
CCCN(CC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300002825032	1	44	-2.0	-112.85	378.65	7.28	-105.57
CCCN(CC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300002825033	1	44	-2.0	-104.26	378.09	7.22	-97.04
CCCN(CC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C(F)(F)F)C(C)=C1	REAL300002825043	0	40	-2.0	-87.37	362.17	5.50	-81.87
CCCN(CC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2)C=C1	REAL300002825143	1	47	-2.0	-98.98	400.21	7.95	-91.03
CCCN(CC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300002825210	0	41	-2.0	-102.15	370.59	6.28	-95.87
CCCN(CC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300002825227	1	43	-2.0	-111.71	366.78	4.01	-107.70
CCCN(CC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C)O1	REAL300002825228	1	34	-2.0	-109.38	312.01	1.57	-107.81
CCCN(CC(=O)[O-])C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2)=C1	REAL300002825322	1	47	-2.0	-97.93	399.51	7.89	-90.04
CCCN(CC(=O)[O-])C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2)=C1	REAL300002825349	1	47	-2.0	-98.13	402.32	7.99	-90.14
CCCN(CC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300002825437	0	41	-2.0	-102.29	370.03	6.22	-96.07
CCCN(CC(=O)[O-])C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300002825438	0	44	-2.0	-103.64	401.03	7.40	-96.24
CCCN(CC(=O)[O-])C(=O)CC1=CSC([N-]C(=O)C(C)C)=N1	REAL300002825660	1	41	-2.0	-99.58	357.90	5.94	-93.64
CCCN(CC(=O)[O-])C(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O	REAL300002825806	1	43	-2.0	-107.53	368.77	6.13	-101.40
CCCN(CC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300002825935	1	44	-2.0	-98.15	378.81	7.28	-90.87
CCCN(CC(=O)[O-])C(=O)C1=CC(Br)=C([O-])C(Br)=C1	REAL300002826320	0	30	-2.0	-92.08	297.77	6.53	-85.55
CCCN(CC(=O)[O-])C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300002826357	1	33	-2.0	-102.30	294.39	7.49	-94.81
CCCN(CC(=O)[O-])C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300002826413	0	36	-2.0	-111.70	321.13	3.38	-108.32
CCCN(CC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300002826454	1	43	-2.0	-93.79	373.85	5.50	-88.29
CCCN(CC(=O)[O-])C(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-]	REAL300002826468	0	46	-2.0	-133.18	380.30	9.16	-124.02
CCCN(CC(=O)[O-])C(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-]	REAL300002826469	0	46	-2.0	-129.60	380.24	9.16	-120.44
CCCN(CC(=O)[O-])C(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-]	REAL300002826505	0	40	-2.0	-124.60	345.32	7.92	-116.68
CCCN(CC(=O)[O-])C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300002826508	0	37	-2.0	-123.97	326.45	7.31	-116.66
CCCN(CC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300002826529	0	37	-2.0	-86.66	339.63	4.65	-82.01
CCCN(CC(=O)[O-])C(=O)C1=CN=C(I)C([O-])=C1	REAL300002826555	0	29	-2.0	-94.07	281.58	4.39	-89.68
CCCN(CC(=O)[O-])C(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-]	REAL300002826579	0	40	-2.0	-132.23	343.31	7.90	-124.33
CCCN(CC(=O)[O-])C(=O)C1=NN(C2=CC=CC=C2CC)C=C1[O-]	REAL300002826580	0	43	-2.0	-131.60	358.76	8.88	-122.72
CCCN(CC(=O)[O-])C(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O	REAL300002826594	1	43	-2.0	-105.62	368.03	6.08	-99.54
CCCN(CC(=O)[O-])C(=O)C1=CC(Cl)=C([O-])C(OCC)=C1	REAL300002826647	1	37	-2.0	-103.21	326.86	6.89	-96.32
CCCN(CC(=O)[O-])C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300002826650	0	40	-2.0	-139.97	355.38	8.14	-131.83
CCCN(CC(=O)[O-])C(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-]	REAL300002826653	0	41	-2.0	-128.88	349.52	6.54	-122.34
CCCN(CC(=O)[O-])C(=O)C1=COC(S(=O)(=O)[N-]C)=C1	REAL300002826662	1	34	-2.0	-107.73	303.95	0.98	-106.75
CCCN(CC(=O)[O-])C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300002827011	0	30	-2.0	-100.41	287.12	7.59	-92.82
O=C([O-])CN(CC1=CC=CC(Br)=C1)C(=O)C1=CC=C([O-])C(F)=C1	REAL300002828091	1	34	-2.0	-96.93	317.39	7.88	-89.05
O=C([O-])CN(CC1=CC=CC(Br)=C1)C(=O)CCC1=N[N-]N=N1	REAL300002828131	0	34	-2.0	-95.09	325.78	6.69	-88.40
O=C([O-])CN(CC1=CC=CC(Br)=C1)C(=O)CCC1=NN=N[N-]1	REAL300002828131	1	34	-2.0	-95.11	325.85	6.71	-88.40
O=C([O-])CN(CC1=CC=CC(Br)=C1)C(=O)C1=CN=CC([O-])=C1	REAL300002828182	1	33	-2.0	-96.77	314.01	6.27	-90.50
O=C([O-])CN(CC1=CC=CC(Br)=C1)C(=O)CCCC1=N[N-]N=N1	REAL300002828385	0	37	-2.0	-92.99	347.28	7.48	-85.51
O=C([O-])CN(CC1=CC=CC(Br)=C1)C(=O)CCCC1=NN=N[N-]1	REAL300002828385	1	37	-2.0	-93.05	347.34	7.49	-85.56
O=C([O-])CN(CC1=CC=CC(Br)=C1)C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300002828399	0	34	-2.0	-95.09	327.18	8.37	-86.72
O=C([O-])CN(CC1=CC=CC(Br)=C1)C(=O)C1=C[N-]N=CC1=O	REAL300002828562	0	32	-2.0	-97.00	308.21	6.45	-90.55
O=C([O-])CCN(CC1=CC=CC(Br)=C1)C(=O)C1=CC=C([O-])C(F)=C1	REAL300002829394	1	37	-2.0	-105.47	336.09	8.21	-97.26
O=C([O-])CCN(CC1=CC=CC(Br)=C1)C(=O)CCC1=N[N-]N=N1	REAL300002829430	0	37	-2.0	-93.44	345.18	7.00	-86.44
O=C([O-])CCN(CC1=CC=CC(Br)=C1)C(=O)CCC1=NN=N[N-]1	REAL300002829430	1	37	-2.0	-93.47	345.24	7.01	-86.46
O=C([O-])CCN(CC1=CC=CC(Br)=C1)C(=O)C1=CN=CC([O-])=C1	REAL300002829462	1	36	-2.0	-110.18	333.32	6.65	-103.53
O=C([O-])CCN(CC1=CC=CC(Br)=C1)C(=O)CCCC1=N[N-]N=N1	REAL300002829588	0	40	-2.0	-89.45	366.68	7.78	-81.67
O=C([O-])CCN(CC1=CC=CC(Br)=C1)C(=O)CCCC1=NN=N[N-]1	REAL300002829588	1	40	-2.0	-89.44	366.74	7.79	-81.65
O=C([O-])CCN(CC1=CC=CC(Br)=C1)C(=O)C1=C[N-]N=CC1=O	REAL300002829687	0	35	-2.0	-99.53	329.21	6.83	-92.70
O=C([O-])C1=CSC(C2=CC(CNC(=O)C3=CC=C([O-])C(F)=C3)=CC=C2)=N1	REAL300002831165	1	37	-2.0	-99.15	354.29	6.01	-93.14
O=C([O-])C1=CSC(C2=CC(CNC(=O)CCC3=NN=N[N-]3)=CC=C2)=N1	REAL300002831224	0	37	-2.0	-95.19	351.80	4.09	-91.10
O=C([O-])C1=CSC(C2=CC(CNC(=O)CCC3=N[N-]N=N3)=CC=C2)=N1	REAL300002831224	1	37	-2.0	-95.17	351.74	4.07	-91.10
O=C([O-])C1=CSC(C2=CC=CC(CNC(=O)C3=CN=C(C4CC4)[N-]C3=O)=C2)=N1	REAL300002831287	1	42	-2.0	-95.50	387.34	5.51	-89.99
O=C([O-])C1=CSC(C2=CC(CNC(=O)C3=CN=CC([O-])=C3)=CC=C2)=N1	REAL300002831301	1	36	-2.0	-99.33	343.13	4.13	-95.20
O=C([O-])C1=CSC(C2=CC(CNC(=O)CCCC3=NN=N[N-]3)=CC=C2)=N1	REAL300002831630	0	40	-2.0	-100.62	373.30	4.87	-95.75
O=C([O-])C1=CSC(C2=CC(CNC(=O)CCCC3=N[N-]N=N3)=CC=C2)=N1	REAL300002831630	1	40	-2.0	-100.61	373.24	4.85	-95.76
O=C([O-])C1=CSC(C2=CC(CNC(=O)C3=CC=C([O-])C(Cl)=C3)=CC=C2)=N1	REAL300002831651	0	37	-2.0	-95.38	364.09	6.50	-88.88
O=C([O-])C1=CSC(C2=CC=CC(CNC(=O)C3=C[N-]N=CC3=O)=C2)=N1	REAL300002831885	0	35	-2.0	-87.64	335.34	4.54	-83.10
CCCC(CNC(=O)CCC1=C(C)N=C(N2CCOCC2)NC1=O)C(=O)[O-]	REAL300002832640	0	53	-2.0	-101.28	424.78	6.44	-94.84
CCCC(CNC(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O)C(=O)[O-]	REAL300002832640	1	53	-2.0	-101.28	424.78	6.44	-94.84
CCCC(CNC(=O)C1=CC(C)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300002832986	0	43	-2.0	-105.01	366.95	4.26	-100.75
CCCC(CNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)CC)C(=O)[O-]	REAL300002833296	0	43	-2.0	-104.43	362.00	4.58	-99.85
CCCC(CNC(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1)C(=O)[O-]	REAL300002833342	1	45	-2.0	-103.52	389.01	9.40	-94.12
CCCC(CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300002833524	1	47	-2.0	-105.81	406.11	6.47	-99.34
CCCC(CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300002833525	1	47	-2.0	-102.61	401.28	6.66	-95.95
CCCC(CNC(=O)C1=CC=C([N-]S(=O)(=O)C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300002833538	0	43	-2.0	-89.19	387.53	4.65	-84.54
CCCC(CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300002833769	0	44	-2.0	-100.96	398.03	5.47	-95.49
CCCC(CNC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300002833788	1	46	-2.0	-97.62	386.60	2.92	-94.70
CCCC(CNC(=O)C1=CC=C(S(=O)(=O)[N-]C)O1)C(=O)[O-]	REAL300002833789	1	37	-2.0	-96.65	332.98	0.39	-96.26
CCCC(CNC(=O)C1=CC(NC(C)=O)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300002834026	0	47	-2.0	-113.96	401.95	2.48	-111.48
CCCC(CNC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300002834070	0	40	-2.0	-104.25	345.55	3.59	-100.66
CCCC(CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C(=O)[O-]	REAL300002834077	0	44	-2.0	-100.78	393.21	5.69	-95.09
CCCC(CNC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1)C(=O)[O-]	REAL300002834426	1	44	-2.0	-97.71	374.68	4.89	-92.82
CCCC(CNC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300002834641	0	40	-2.0	-97.54	346.96	3.86	-93.68
CCCC(CNC(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O)C(=O)[O-]	REAL300002834648	1	46	-2.0	-114.30	390.59	4.89	-109.41
CCCC(CNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)CCC)C(=O)[O-]	REAL300002834653	0	46	-2.0	-106.21	388.51	5.27	-100.94
CCCC(CNC(=O)C1=C(C)N=C(C(C)(C)C)[N-]C1=O)C(=O)[O-]	REAL300002834716	1	46	-2.0	-111.27	364.62	5.18	-106.09
CCCC(CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300002834814	1	47	-2.0	-96.15	406.26	6.47	-89.68
CCCC(CNC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300002835366	0	46	-2.0	-107.06	386.43	6.04	-101.02
CCCC(CNC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300002835535	1	36	-2.0	-103.24	316.69	7.16	-96.08
CCCC(CNC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300002835624	0	39	-2.0	-100.49	341.58	2.70	-97.79
CCCC(CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300002835686	1	46	-2.0	-92.20	401.30	4.69	-87.51
CCCC(CNC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-])C(=O)[O-]	REAL300002835701	0	49	-2.0	-123.38	406.20	7.66	-115.72
CCCC(CNC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])C(=O)[O-]	REAL300002835702	0	49	-2.0	-120.93	406.13	7.67	-113.26
CCCC(CNC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-])C(=O)[O-]	REAL300002835770	0	43	-2.0	-115.20	367.36	6.95	-108.25
CCCC(CNC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300002835774	0	40	-2.0	-116.93	352.34	5.81	-111.12
CCCC(CNC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(=O)[O-]	REAL300002835796	1	38	-2.0	-120.54	320.49	6.79	-113.75
CCCC(CNC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300002835814	0	40	-2.0	-85.97	362.82	4.12	-81.85
CCCC(CNC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300002835854	0	32	-2.0	-92.27	307.06	3.64	-88.63
CCCC(CNC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-])C(=O)[O-]	REAL300002835904	0	43	-2.0	-124.73	370.69	6.39	-118.34
CCCC(CNC(=O)C1=NN(C2=CC=CC=C2CC)C=C1[O-])C(=O)[O-]	REAL300002835905	0	46	-2.0	-122.60	382.33	7.64	-114.96
CCCC(CNC(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O)C(=O)[O-]	REAL300002835950	1	46	-2.0	-112.94	389.87	4.84	-108.10
CCCC(CNC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300002835984	0	33	-2.0	-90.67	302.35	5.19	-85.48
CCCC(CNC(=O)C1=CC(Cl)=C([O-])C(OCC)=C1)C(=O)[O-]	REAL300002836070	1	40	-2.0	-96.47	347.19	6.14	-90.33
CCCC(CNC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300002836074	0	43	-2.0	-126.88	370.83	7.39	-119.49
CCCC(CNC(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-])C(=O)[O-]	REAL300002836081	0	44	-2.0	-120.75	375.41	5.04	-115.71
CCCC(CNC(=O)C1=COC(S(=O)(=O)[N-]C)=C1)C(=O)[O-]	REAL300002836098	1	37	-2.0	-93.99	337.13	0.26	-93.73
CCCC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300002836219	0	36	-2.0	-87.72	315.90	3.36	-84.36
CCCC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300002836219	1	36	-2.0	-87.68	315.97	3.37	-84.31
CCCC(CNC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(=O)[O-]	REAL300002836484	1	41	-2.0	-111.74	340.17	4.57	-107.17
CCCC(CNC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300002836700	0	33	-2.0	-100.63	310.75	7.20	-93.43
CCCC(CNC(=O)C1=C(C)N=C(C2=CC=CO2)[N-]C1=O)C(=O)[O-]	REAL300002836932	0	41	-2.0	-113.95	344.85	4.26	-109.69
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCCN2C=C(C(=O)[O-])N=N2)=C1	REAL300002837749	0	40	-2.0	-108.21	363.63	1.51	-106.70
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCN1C=C(C(=O)[O-])N=N1	REAL300002838062	0	40	-2.0	-109.28	363.70	1.73	-107.55
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCCN2C=C(C(=O)[O-])N=N2)C=C1	REAL300002838111	1	42	-2.0	-115.88	385.69	6.65	-109.23
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCCN2C=C(C(=O)[O-])N=N2)O1	REAL300002838555	1	43	-2.0	-93.06	388.30	0.07	-92.99
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCCN2C=C(C(=O)[O-])N=N2)O1	REAL300002838556	1	34	-2.0	-93.14	334.68	-2.46	-95.60
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCN1C=C(C(=O)[O-])N=N1	REAL300002838831	0	37	-2.0	-107.94	342.24	0.83	-107.11
CC(C)C(=O)[N-]C1=NC(CC(=O)NCCN2C=C(C(=O)[O-])N=N2)=CS1	REAL300002839196	1	41	-2.0	-110.24	376.44	1.94	-108.30
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCCN1C=C(C(=O)[O-])N=N1	REAL300002839435	0	37	-2.0	-101.36	348.65	0.90	-100.46
CC1=C(CC(=O)NCCN2C=C(C(=O)[O-])N=N2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002839438	1	43	-2.0	-113.20	386.36	2.09	-111.11
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCN1C=C(C(=O)[O-])N=N1	REAL300002839441	0	43	-2.0	-109.75	385.20	2.52	-107.23
CC1=C(C(=O)NCCN2C=C(C(=O)[O-])N=N2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300002839522	1	43	-2.0	-92.93	366.59	2.32	-90.61
O=C([O-])C1=CN(CCNC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])N=N1	REAL300002840567	1	33	-2.0	-109.22	318.37	4.31	-104.91
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCCN2C=C(C(=O)[O-])N=N2)C=N1	REAL300002840675	0	36	-2.0	-99.38	343.29	-0.14	-99.52
O=C([O-])C1=CN(CCNC(=O)C2=CN=C(C3CC3)[N-]C2=O)N=N1	REAL300002840708	1	35	-2.0	-92.44	321.10	1.27	-91.17
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCCN3C=C(C(=O)[O-])N=N3)=N2)=C1	REAL300002840767	0	46	-2.0	-117.09	402.88	4.91	-112.18
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCCN3C=C(C(=O)[O-])N=N3)=N2)C=C1	REAL300002840768	0	46	-2.0	-116.38	402.82	4.91	-111.47
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCCN2C=C(C(=O)[O-])N=N2)=N1	REAL300002840858	0	40	-2.0	-113.88	370.34	4.02	-109.86
O=C([O-])C1=CN(CCNC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])N=N1	REAL300002840863	0	37	-2.0	-115.63	349.03	3.06	-112.57
O=C([O-])C1=CN(CCNC(=O)C2=C([O-])C3=CC=CC=C3C=N2)N=N1	REAL300002840894	1	35	-2.0	-115.31	322.19	3.94	-111.37
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCCN3C=C(C(=O)[O-])N=N3)=N2)=C1	REAL300002841049	0	40	-2.0	-121.20	367.37	3.64	-117.56
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCCN2C=C(C(=O)[O-])N=N2)=N1	REAL300002841050	0	43	-2.0	-118.50	376.89	4.78	-113.72
CC1=C(CC(=O)NCCN2C=C(C(=O)[O-])N=N2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002841121	1	43	-2.0	-111.95	386.55	2.08	-109.87
O=C([O-])C1=CN(CCNC(=O)C2=CC(F)=C([O-])C(Cl)=C2)N=N1	REAL300002841172	0	30	-2.0	-96.15	304.05	2.31	-93.84
COC1=C(C(=O)NCCN2C=C(C(=O)[O-])N=N2)NC(=O)[N-]C1=O	REAL300002841184	1	33	-2.0	-98.57	310.20	-2.60	-101.17
O=C([O-])C1=CN(CCNC(=O)C2=CC=C([O-])C(Cl)=C2)N=N1	REAL300002841312	0	30	-2.0	-95.35	297.85	2.25	-93.10
CCOC1=CC(C(=O)NCCN2C=C(C(=O)[O-])N=N2)=CC(Cl)=C1[O-]	REAL300002841315	1	37	-2.0	-99.54	348.90	3.29	-96.25
COC1=CC=C(N2C=C([O-])C(C(=O)NCCN3C=C(C(=O)[O-])N=N3)=N2)C=C1	REAL300002841327	0	41	-2.0	-116.44	372.10	2.29	-114.15
C[N-]S(=O)(=O)C1=CC(C(=O)NCCN2C=C(C(=O)[O-])N=N2)=CO1	REAL300002841350	1	34	-2.0	-105.10	333.82	-2.49	-107.59
O=C([O-])C1=CN(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N=N1	REAL300002841506	0	33	-2.0	-90.40	317.66	0.42	-89.98
O=C([O-])C1=CN(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N=N1	REAL300002841506	1	33	-2.0	-90.41	317.59	0.41	-90.00
COCC1=NC=C(C(=O)NCCN2C=C(C(=O)[O-])N=N2)C(=O)[N-]1	REAL300002841827	1	35	-2.0	-92.26	322.94	-1.08	-93.34
O=C([O-])C1=CN(CCNC(=O)C2=CN=C(C3CCC3)[N-]C2=O)N=N1	REAL300002841871	1	38	-2.0	-92.39	336.85	1.81	-90.58
O=C([O-])C1=CN(CCNC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])N=N1	REAL300002842172	0	30	-2.0	-104.48	312.45	4.35	-100.13
CC1=C(C(=O)NCCN2C=C(C(=O)[O-])N=N2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300002842475	0	38	-2.0	-96.27	347.26	1.42	-94.85
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C)C(CC2=CC=CC=C2)C(=O)[O-])O1	REAL300002843875	1	44	-2.0	-97.21	380.48	3.02	-94.19
CC(NC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002844068	0	47	-2.0	-112.87	393.92	6.64	-106.23
CC1=C(C(=O)NC(C)C(CC2=CC=CC=C2)C(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300002844616	1	53	-2.0	-117.01	417.95	8.14	-108.87
CC(NC(=O)C1=CC=C([O-])C(F)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845629	1	40	-2.0	-94.60	340.59	7.26	-87.34
CC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845642	1	43	-2.0	-115.91	376.82	9.99	-105.92
CC(NC(=O)CCC1=N[N-]N=N1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845698	0	40	-2.0	-94.88	333.99	5.75	-89.13
CC(NC(=O)CCC1=NN=N[N-]1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845698	1	40	-2.0	-94.88	334.05	5.77	-89.11
CC(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845779	0	46	-2.0	-110.22	401.72	5.56	-104.66
CC(NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845810	1	45	-2.0	-115.08	372.77	7.07	-108.01
CC(NC(=O)C1=CN=CC([O-])=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845849	1	39	-2.0	-105.84	335.32	5.58	-100.26
CC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845961	0	47	-2.0	-115.17	401.58	8.54	-106.63
CC(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846008	1	45	-2.0	-117.44	367.98	9.40	-108.04
CC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846298	0	40	-2.0	-92.68	356.60	7.81	-84.87
COC1=C(C(=O)NC(C)C(CC2=CC=CC=C2)C(=O)[O-])NC(=O)[N-]C1=O	REAL300002846317	1	43	-2.0	-101.24	361.89	3.19	-98.05
CC(NC(=O)CCCC1=N[N-]N=N1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846414	0	43	-2.0	-92.81	359.88	6.08	-86.73
CC(NC(=O)CCCC1=NN=N[N-]1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846414	1	43	-2.0	-92.81	359.94	6.10	-86.71
CC(NC(=O)C1=CC=C([O-])C(Cl)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846450	0	40	-2.0	-92.28	350.39	7.75	-84.53
CCOC1=CC(C(=O)NC(C)C(CC2=CC=CC=C2)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300002846454	1	47	-2.0	-94.94	394.68	8.79	-86.15
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C)C(CC2=CC=CC=C2)C(=O)[O-])=CO1	REAL300002846487	1	44	-2.0	-88.61	379.60	2.99	-85.62
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846649	0	43	-2.0	-86.78	363.38	5.88	-80.90
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846649	1	43	-2.0	-86.75	363.45	5.90	-80.85
CC(NC(=O)C1=C[N-]N=CC1=O)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846929	0	38	-2.0	-106.71	327.54	6.01	-100.70
COCC1=NC=C(C(=O)NC(C)C(CC2=CC=CC=C2)C(=O)[O-])C(=O)[N-]1	REAL300002846962	1	45	-2.0	-117.75	381.30	4.62	-113.13
CC(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002847010	1	48	-2.0	-115.33	388.52	7.62	-107.71
CC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002847315	0	40	-2.0	-113.00	370.88	10.03	-102.97
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])O1	REAL300002848996	1	41	-2.0	-105.42	356.27	3.63	-101.79
CC(C)C(=O)[N-]C1=NC(CC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])=CS1	REAL300002849448	1	48	-2.0	-104.65	400.89	8.15	-96.50
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=CC=C([O-])C(F)=C1	REAL300002850530	1	37	-2.0	-111.80	307.81	7.31	-104.49
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300002850541	1	40	-2.0	-104.91	343.61	9.56	-95.35
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)CCC1=N[N-]N=N1	REAL300002850575	0	37	-2.0	-100.25	313.32	6.90	-93.35
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)CCC1=NN=N[N-]1	REAL300002850575	1	37	-2.0	-100.24	313.38	6.92	-93.32
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300002850646	0	43	-2.0	-105.02	363.72	5.36	-99.66
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300002850671	1	42	-2.0	-122.54	350.97	6.84	-115.70
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=CN=CC([O-])=C1	REAL300002850708	1	36	-2.0	-109.14	298.52	5.54	-103.60
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])=N1	REAL300002850789	0	47	-2.0	-129.64	391.31	10.58	-119.06
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300002850794	0	44	-2.0	-126.94	371.69	9.70	-117.24
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300002850825	1	42	-2.0	-126.78	344.81	11.14	-115.64
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N(CC3=CC=CC=C3)C(C)C(=O)[O-])=N2)=C1	REAL300002850963	0	47	-2.0	-131.56	389.02	10.05	-121.51
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])=N1	REAL300002850964	0	50	-2.0	-133.02	407.98	10.45	-122.57
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300002851075	0	37	-2.0	-102.99	323.52	8.79	-94.20
COC1=C(C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])NC(=O)[N-]C1=O	REAL300002851086	1	40	-2.0	-101.73	339.91	2.03	-99.70
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL300002851166	0	40	-2.0	-94.62	331.08	6.76	-87.86
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL300002851166	1	40	-2.0	-94.62	331.14	6.78	-87.84
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300002851198	0	37	-2.0	-110.36	316.23	7.73	-102.63
CCOC1=CC(C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300002851202	1	44	-2.0	-109.72	370.51	8.86	-100.86
COC1=CC=C(N2C=C([O-])C(C(=O)N(CC3=CC=CC=C3)C(C)C(=O)[O-])=N2)C=C1	REAL300002851208	0	48	-2.0	-127.06	392.73	8.64	-118.42
C[N-]S(=O)(=O)C1=CC(C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])=CO1	REAL300002851224	1	41	-2.0	-101.50	350.66	3.35	-98.15
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300002851364	0	40	-2.0	-98.52	338.45	7.46	-91.06
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300002851364	1	40	-2.0	-98.52	338.52	7.50	-91.02
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=C[N-]N=CC1=O	REAL300002851602	0	35	-2.0	-108.36	299.54	6.04	-102.32
COCC1=NC=C(C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])C(=O)[N-]1	REAL300002851626	1	42	-2.0	-116.01	352.47	4.64	-111.37
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300002851669	1	45	-2.0	-122.96	366.73	7.38	-115.58
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300002851916	0	37	-2.0	-109.74	329.56	9.65	-100.09
CCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C)O1)(C(=O)[O-])C1=CC=CC=C1	REAL300002853782	1	41	-2.0	-102.14	357.41	3.25	-98.89
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CCC(NC(=O)C1=CC=C([O-])C(F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002855316	1	37	-2.0	-107.32	310.71	7.43	-99.89
CCC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])(C(=O)[O-])C1=CC=CC=C1	REAL300002855327	1	40	-2.0	-129.73	341.05	9.48	-120.25
CCC(NC(=O)CCC1=N[N-]N=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300002855361	0	37	-2.0	-103.65	308.24	5.50	-98.15
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CCC(NC(=O)C1=CN=C(C2CC2)[N-]C1=O)(C(=O)[O-])C1=CC=CC=C1	REAL300002855457	1	42	-2.0	-120.61	343.54	7.08	-113.53
CCC(NC(=O)C1=CN=CC([O-])=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002855494	1	36	-2.0	-113.34	299.62	5.57	-107.77
CCC(NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-])(C(=O)[O-])C1=CC=CC=C1	REAL300002855575	0	47	-2.0	-140.18	393.08	9.73	-130.45
CCC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])(C(=O)[O-])C1=CC=CC=C1	REAL300002855580	0	44	-2.0	-141.28	371.76	8.78	-132.50
CCC(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300002855611	1	42	-2.0	-146.03	344.92	9.17	-136.86
CCC(NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-])(C(=O)[O-])C1=CC=CC=C1	REAL300002855749	0	47	-2.0	-148.96	390.10	9.36	-139.60
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CC)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300002855750	0	50	-2.0	-147.55	406.61	10.45	-137.10
CCC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002855861	0	37	-2.0	-105.02	326.82	8.03	-96.99
CCC(NC(=O)C1=C(OC)C(=O)[N-]C(=O)N1)(C(=O)[O-])C1=CC=CC=C1	REAL300002855872	1	40	-2.0	-104.65	332.86	2.59	-102.06
CCC(NC(=O)CCCC1=N[N-]N=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300002855952	0	40	-2.0	-112.86	329.74	6.28	-106.58
CCC(NC(=O)CCCC1=NN=N[N-]1)(C(=O)[O-])C1=CC=CC=C1	REAL300002855952	1	40	-2.0	-112.83	329.79	6.30	-106.53
CCC(NC(=O)C1=CC=C([O-])C(Cl)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002855984	0	37	-2.0	-105.43	320.51	7.91	-97.52
CCOC1=CC(C(=O)NC(CC)(C(=O)[O-])C2=CC=CC=C2)=CC(Cl)=C1[O-]	REAL300002855988	1	44	-2.0	-109.98	371.62	9.00	-100.98
CCC(NC(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-])(C(=O)[O-])C1=CC=CC=C1	REAL300002855994	0	48	-2.0	-143.34	394.83	8.01	-135.33
CCC(NC(=O)C1=COC(S(=O)(=O)[N-]C)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002856010	1	41	-2.0	-110.55	356.56	3.25	-107.30
CCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300002856150	0	40	-2.0	-96.90	340.32	6.11	-90.79
CCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300002856150	1	40	-2.0	-96.86	340.39	6.12	-90.74
CCC(NC(=O)C1=C[N-]N=CC1=O)(C(=O)[O-])C1=CC=CC=C1	REAL300002856388	0	35	-2.0	-109.51	291.84	6.02	-103.49
CCC(NC(=O)C1=CN=C(COC)[N-]C1=O)(C(=O)[O-])C1=CC=CC=C1	REAL300002856412	1	42	-2.0	-119.20	345.64	4.67	-114.53
CCC(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)(C(=O)[O-])C1=CC=CC=C1	REAL300002856455	1	45	-2.0	-120.36	359.48	7.50	-112.86
CCC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])(C(=O)[O-])C1=CC=CC=C1	REAL300002856702	0	37	-2.0	-125.15	335.18	9.58	-115.57
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C)(CC(=O)[O-])C2=CC=CC(OC)=C2)O1	REAL300002857970	1	45	-2.0	-102.71	387.07	1.91	-100.80
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C2=CC=C([O-])C(F)=C2)=C1	REAL300002859151	1	41	-2.0	-103.70	340.64	6.34	-97.36
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])=C1	REAL300002859164	1	44	-2.0	-116.24	370.98	8.72	-107.52
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)CCC2=N[N-]N=N2)=C1	REAL300002859208	0	41	-2.0	-98.77	338.13	4.40	-94.37
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)CCC2=NN=N[N-]2)=C1	REAL300002859208	1	41	-2.0	-98.80	338.19	4.42	-94.38
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C2=CN=C(C3CC3)[N-]C2=O)=C1	REAL300002859278	1	46	-2.0	-119.60	373.72	5.84	-113.76
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C2=CN=CC([O-])=C2)=C1	REAL300002859300	1	40	-2.0	-105.62	329.48	4.45	-101.17
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)=C1	REAL300002859396	1	46	-2.0	-134.04	374.78	8.33	-125.71
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)=C1	REAL300002859621	0	41	-2.0	-99.81	356.64	6.89	-92.92
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C2=C(OC)C(=O)[N-]C(=O)N2)=C1	REAL300002859634	1	44	-2.0	-101.93	362.79	1.80	-100.13
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300002859703	0	44	-2.0	-101.93	359.40	5.01	-96.92
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300002859703	1	44	-2.0	-101.92	359.46	5.03	-96.89
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C2=CC=C([O-])C(Cl)=C2)=C1	REAL300002859731	0	41	-2.0	-101.04	350.44	6.83	-94.21
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C)(CC(=O)[O-])C2=CC=CC(OC)=C2)=CO1	REAL300002859751	1	45	-2.0	-100.91	386.20	1.92	-98.99
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300002859863	0	44	-2.0	-94.90	370.18	4.97	-89.93
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300002859863	1	44	-2.0	-94.92	370.25	4.97	-89.95
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C2=C[N-]N=CC2=O)=C1	REAL300002860047	0	39	-2.0	-105.66	321.49	4.71	-100.95
COCC1=NC=C(C(=O)NC(C)(CC(=O)[O-])C2=CC=CC(OC)=C2)C(=O)[N-]1	REAL300002860068	1	46	-2.0	-116.72	375.36	3.32	-113.40
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)=C1	REAL300002860104	1	49	-2.0	-119.84	389.47	6.39	-113.45
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=C1	REAL300002860304	0	41	-2.0	-111.67	364.83	8.58	-103.09
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)O1	REAL300002861871	1	40	-2.0	-92.01	343.31	-0.32	-92.33
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)CC1	REAL300002862063	0	43	-2.0	-102.06	353.63	2.61	-99.45
CC1=C(C(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300002862615	1	49	-2.0	-121.51	393.11	3.81	-117.70
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2=CC=C([O-])C(F)=C2)CC1	REAL300002863616	1	36	-2.0	-89.52	298.89	3.67	-85.85
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CC1	REAL300002863629	1	39	-2.0	-119.58	338.57	4.80	-114.78
CS(=O)C1(C(=O)[O-])CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300002863683	0	36	-2.0	-85.22	297.24	2.10	-83.12
CS(=O)C1(C(=O)[O-])CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300002863683	1	36	-2.0	-85.26	297.29	2.12	-83.14
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)CC1	REAL300002863764	0	42	-2.0	-92.35	354.27	1.69	-90.66
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)CC1	REAL300002863795	1	41	-2.0	-105.23	344.95	3.02	-102.21
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2=CN=CC([O-])=C2)CC1	REAL300002863835	1	35	-2.0	-109.09	295.22	1.62	-107.47
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CC1	REAL300002863950	0	43	-2.0	-120.97	363.88	5.40	-115.57
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)CC1	REAL300002863996	1	41	-2.0	-116.11	333.65	6.05	-110.06
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)CC1	REAL300002864283	0	36	-2.0	-102.26	322.60	4.15	-98.11
COC1=C(C(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)NC(=O)[N-]C1=O	REAL300002864301	1	39	-2.0	-89.45	327.86	-1.82	-91.27
CS(=O)C1(C(=O)[O-])CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300002864399	0	39	-2.0	-89.64	318.73	2.88	-86.76
CS(=O)C1(C(=O)[O-])CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300002864399	1	39	-2.0	-89.70	318.79	2.90	-86.80
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2=CC=C([O-])C(Cl)=C2)CC1	REAL300002864435	0	36	-2.0	-86.80	308.67	4.16	-82.64
CCOC1=CC(C(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)=CC(Cl)=C1[O-]	REAL300002864439	1	43	-2.0	-105.91	367.43	5.13	-100.78
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)=CO1	REAL300002864472	1	40	-2.0	-101.29	349.85	-0.58	-101.87
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300002864635	0	39	-2.0	-82.63	326.41	3.13	-79.50
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300002864635	1	39	-2.0	-82.64	326.48	3.14	-79.50
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2=C[N-]N=CC2=O)CC1	REAL300002864917	0	34	-2.0	-88.30	287.29	2.20	-86.10
COCC1=NC=C(C(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)C(=O)[N-]1	REAL300002864951	1	41	-2.0	-105.08	339.63	0.51	-104.57
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)CC1	REAL300002864999	1	44	-2.0	-104.96	360.81	3.57	-101.39
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300002865304	0	36	-2.0	-98.81	327.38	5.04	-93.77
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(N3C=C(C(=O)[O-])C=N3)CC2)O1	REAL300002866989	1	42	-2.0	-97.06	371.50	1.70	-95.36
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(N2C=C(C(=O)[O-])C=N2)CC1	REAL300002867179	0	45	-2.0	-106.58	385.35	4.64	-101.94
CC1=C(C(=O)N2CCC(N3C=C(C(=O)[O-])C=N3)CC2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300002867711	1	51	-2.0	-110.15	414.86	5.95	-104.20
O=C([O-])C1=CN(C2CCN(C(=O)C3=CC=C([O-])C(F)=C3)CC2)N=C1	REAL300002868708	1	38	-2.0	-96.89	326.57	5.66	-91.23
O=C([O-])C1=CN(C2CCN(C(=O)C3=CC=C(C(F)(F)F)C=C3[O-])CC2)N=C1	REAL300002868721	1	41	-2.0	-107.64	360.38	6.92	-100.72
O=C([O-])C1=CN(C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)N=C1	REAL300002868777	0	38	-2.0	-93.88	325.40	4.13	-89.75
O=C([O-])C1=CN(C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)N=C1	REAL300002868777	1	38	-2.0	-93.94	325.35	4.12	-89.82
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC(N3C=C(C(=O)[O-])C=N3)CC2)C=N1	REAL300002868857	0	44	-2.0	-104.52	383.50	3.82	-100.70
O=C([O-])C1=CN(C2CCN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)CC2)N=C1	REAL300002868888	1	43	-2.0	-108.39	367.15	5.17	-103.22
O=C([O-])C1=CN(C2CCN(C(=O)C3=CN=CC([O-])=C3)CC2)N=C1	REAL300002868927	1	37	-2.0	-100.83	315.86	3.71	-97.12
O=C([O-])C1=CN(C2CCN(C(=O)C3=NN(C4=CC=CC(F)=C4)C=C3[O-])CC2)N=C1	REAL300002869039	0	45	-2.0	-111.25	385.78	7.54	-103.71
O=C([O-])C1=CN(C2CCN(C(=O)C3=C([O-])C4=CC=CC=C4C=N3)CC2)N=C1	REAL300002869085	1	43	-2.0	-111.18	359.08	8.62	-102.56
O=C([O-])C1=CN(C2CCN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)CC2)N=C1	REAL300002869373	0	38	-2.0	-94.99	342.61	6.22	-88.77
COC1=C(C(=O)N2CCC(N3C=C(C(=O)[O-])C=N3)CC2)NC(=O)[N-]C1=O	REAL300002869392	1	41	-2.0	-97.41	355.97	0.19	-97.22
O=C([O-])C1=CN(C2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)N=C1	REAL300002869488	0	41	-2.0	-100.77	346.93	4.91	-95.86
O=C([O-])C1=CN(C2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)N=C1	REAL300002869488	1	41	-2.0	-100.77	346.87	4.90	-95.87
O=C([O-])C1=CN(C2CCN(C(=O)C3=CC=C([O-])C(Cl)=C3)CC2)N=C1	REAL300002869523	0	38	-2.0	-93.64	336.38	6.14	-87.50
CCOC1=CC(C(=O)N2CCC(N3C=C(C(=O)[O-])C=N3)CC2)=CC(Cl)=C1[O-]	REAL300002869527	1	45	-2.0	-98.35	388.69	7.22	-91.13
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(N3C=C(C(=O)[O-])C=N3)CC2)=CO1	REAL300002869560	1	42	-2.0	-101.81	370.87	1.56	-100.25
O=C([O-])C1=CN(C2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)N=C1	REAL300002869720	0	41	-2.0	-88.76	354.67	5.14	-83.62
O=C([O-])C1=CN(C2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)N=C1	REAL300002869720	1	41	-2.0	-88.81	354.60	5.13	-83.68
O=C([O-])C1=CN(C2CCN(C(=O)C3=C[N-]N=CC3=O)CC2)N=C1	REAL300002869997	0	36	-2.0	-96.70	314.95	4.16	-92.54
COCC1=NC=C(C(=O)N2CCC(N3C=C(C(=O)[O-])C=N3)CC2)C(=O)[N-]1	REAL300002870030	1	43	-2.0	-106.53	368.98	2.72	-103.81
O=C([O-])C1=CN(C2CCN(C(=O)C3=CN=C(C4CCC4)[N-]C3=O)CC2)N=C1	REAL300002870078	1	46	-2.0	-93.11	377.70	5.63	-87.48
O=C([O-])C1=CN(C2CCN(C(=O)C3=CC(Cl)=CC(Cl)=C3[O-])CC2)N=C1	REAL300002870380	0	38	-2.0	-102.88	355.50	7.07	-95.81
CC1=C(CCC(=O)N2CCCC(C)(C(=O)[O-])C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300002871232	1	54	-2.0	-102.87	414.34	7.97	-94.90
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300002871585	0	44	-2.0	-105.91	358.69	5.25	-100.66
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300002871897	0	44	-2.0	-107.00	359.35	5.46	-101.54
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1	REAL300002871947	1	46	-2.0	-114.84	378.90	10.87	-103.97
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC(C)(C(=O)[O-])C2)O1	REAL300002872399	1	47	-2.0	-87.91	380.39	4.05	-83.86
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC(C)(C(=O)[O-])C2)O1	REAL300002872400	1	38	-2.0	-87.26	324.46	1.70	-85.56
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300002872631	0	48	-2.0	-110.51	394.50	3.52	-106.99
CC1(C(=O)[O-])CCCN(C(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)C1	REAL300002872677	0	41	-2.0	-105.54	337.89	4.56	-100.98
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCCC(C)(C(=O)[O-])C2)=CS1	REAL300002873051	1	45	-2.0	-108.88	369.74	6.15	-102.73
CC1(C(=O)[O-])CCCN(C(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)C1	REAL300002873286	0	41	-2.0	-97.62	344.76	4.70	-92.92
CC1=C(CC(=O)N2CCCC(C)(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002873291	1	47	-2.0	-112.84	379.21	6.38	-106.46
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300002873295	0	47	-2.0	-107.56	380.85	6.24	-101.32
CC1=C(C(=O)N2CCCC(C)(C(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300002873366	1	47	-2.0	-106.40	370.23	6.00	-100.40
CC1(C(=O)[O-])CCCN(C(=O)C2=CC3=CC=CC=C3C=C2[N-]S(C)(=O)=O)C1	REAL300002874116	0	47	-2.0	-110.27	383.46	6.81	-103.46
CC1(C(=O)[O-])CCCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300002874311	1	37	-2.0	-107.66	313.98	6.91	-100.75
CC1(C(=O)[O-])CCCN(C(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C1	REAL300002874410	0	40	-2.0	-99.05	336.53	3.82	-95.23
CC1(C(=O)[O-])CCCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300002874441	1	39	-2.0	-104.49	320.38	5.10	-99.39
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCCC(C)(C(=O)[O-])C3)=N2)=C1	REAL300002874495	0	50	-2.0	-118.49	392.66	9.38	-109.11
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCCC(C)(C(=O)[O-])C3)=N2)C=C1	REAL300002874496	0	50	-2.0	-117.82	392.75	9.38	-108.44
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCCC(C)(C(=O)[O-])C2)=N1	REAL300002874572	0	44	-2.0	-112.60	364.92	7.88	-104.72
CC1(C(=O)[O-])CCCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1	REAL300002874577	0	41	-2.0	-116.39	338.81	7.53	-108.86
CC1(C(=O)[O-])CCCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300002874601	1	39	-2.0	-119.45	315.34	8.04	-111.41
CC1(C(=O)[O-])CCCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)C1	REAL300002874621	0	41	-2.0	-83.58	357.23	5.05	-78.53
CC1(C(=O)[O-])CCCN(C(=O)C2=CN=C(I)C([O-])=C2)C1	REAL300002874670	0	33	-2.0	-91.21	296.93	4.73	-86.48
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCCC(C)(C(=O)[O-])C3)=N2)=C1	REAL300002874733	0	44	-2.0	-122.90	357.48	8.08	-114.82
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCCC(C)(C(=O)[O-])C2)=N1	REAL300002874734	0	47	-2.0	-117.70	378.34	8.60	-109.10
CC1=C(CC(=O)N2CCCC(C)(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002874794	1	47	-2.0	-111.36	379.41	6.37	-104.99
CC1(C(=O)[O-])CCCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300002874837	0	34	-2.0	-89.85	295.98	6.17	-83.68
COC1=C(C(=O)N2CCCC(C)(C(=O)[O-])C2)NC(=O)[N-]C1=O	REAL300002874845	1	37	-2.0	-90.07	308.97	0.19	-89.88
CCOC1=CC(C(=O)N2CCCC(C)(C(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300002874952	1	41	-2.0	-93.87	342.28	7.23	-86.64
CC1(C(=O)[O-])CCCN(C(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])C1	REAL300002874956	0	44	-2.0	-119.63	367.85	8.28	-111.35
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCCC(C)(C(=O)[O-])C3)=N2)C=C1	REAL300002874964	0	45	-2.0	-117.79	361.85	6.76	-111.03
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCCC(C)(C(=O)[O-])C2)=CO1	REAL300002874984	1	38	-2.0	-96.44	324.75	1.58	-94.86
CC1(C(=O)[O-])CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300002875115	0	37	-2.0	-85.09	307.53	5.12	-79.97
CC1(C(=O)[O-])CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300002875115	1	37	-2.0	-85.08	307.59	5.12	-79.96
COCC1=NC=C(C(=O)N2CCCC(C)(C(=O)[O-])C2)C(=O)[N-]1	REAL300002875387	1	39	-2.0	-102.76	322.48	2.68	-100.08
CC1(C(=O)[O-])CCCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300002875426	1	42	-2.0	-104.13	336.23	5.65	-98.48
CC1(C(=O)[O-])CCCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300002875687	0	34	-2.0	-103.30	307.46	7.00	-96.30
CC1=C(C(=O)N2CCCC(C)(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300002875948	0	42	-2.0	-108.74	350.53	5.07	-103.67
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2=CC=C(C(=O)[O-])S2)=C1	REAL300002877138	0	38	-2.0	-97.36	354.95	4.14	-93.22
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=CC=C(C(=O)[O-])S1	REAL300002877448	0	38	-2.0	-98.30	355.02	4.36	-93.94
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC2=CC=C(C(=O)[O-])S2)C=C1	REAL300002877496	1	40	-2.0	-102.03	377.38	9.29	-92.74
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=CC=C(C(=O)[O-])S2)O1	REAL300002877937	1	41	-2.0	-93.75	379.62	2.69	-91.06
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=CC=C(C(=O)[O-])S2)O1	REAL300002877938	1	32	-2.0	-93.49	326.00	0.15	-93.34
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=CC=C(C(=O)[O-])S1	REAL300002878210	0	35	-2.0	-97.06	333.56	3.46	-93.60
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC2=CC=C(C(=O)[O-])S2)=CS1	REAL300002878568	1	39	-2.0	-98.11	367.74	4.56	-93.55
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCC1=CC=C(C(=O)[O-])S1	REAL300002878808	0	35	-2.0	-92.36	339.97	3.53	-88.83
CC1=C(CC(=O)NCC2=CC=C(C(=O)[O-])S2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002878811	1	41	-2.0	-104.25	377.68	4.72	-99.53
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=CC=C(C(=O)[O-])S1	REAL300002878814	0	41	-2.0	-98.76	376.52	5.15	-93.61
CC1=C(C(=O)NCC2=CC=C(C(=O)[O-])S2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300002878895	1	41	-2.0	-95.70	357.91	4.94	-90.76
O=C([O-])C1=CC=C(CNC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])S1	REAL300002879936	1	31	-2.0	-96.36	309.69	6.94	-89.42
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC2=CC=C(C(=O)[O-])S2)C=N1	REAL300002880043	0	34	-2.0	-96.35	334.60	2.48	-93.87
O=C([O-])C1=CC=C(CNC(=O)C2=CN=C(C3CC3)[N-]C2=O)S1	REAL300002880076	1	33	-2.0	-94.90	312.17	3.96	-90.94
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCC3=CC=C(C(=O)[O-])S3)=N2)=C1	REAL300002880135	0	44	-2.0	-109.41	394.20	7.53	-101.88
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC3=CC=C(C(=O)[O-])S3)=N2)C=C1	REAL300002880136	0	44	-2.0	-107.95	394.13	7.53	-100.42
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC2=CC=C(C(=O)[O-])S2)=N1	REAL300002880226	0	38	-2.0	-105.12	361.66	6.64	-98.48
O=C([O-])C1=CC=C(CNC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])S1	REAL300002880231	0	35	-2.0	-105.65	340.35	5.67	-99.98
O=C([O-])C1=CC=C(CNC(=O)C2=C([O-])C3=CC=CC=C3C=N2)S1	REAL300002880262	1	33	-2.0	-106.50	313.51	6.56	-99.94
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC3=CC=C(C(=O)[O-])S3)=N2)=C1	REAL300002880417	0	38	-2.0	-111.84	358.69	6.26	-105.58
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC2=CC=C(C(=O)[O-])S2)=N1	REAL300002880418	0	41	-2.0	-108.83	368.20	7.40	-101.43
CC1=C(CC(=O)NCC2=CC=C(C(=O)[O-])S2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002880488	1	41	-2.0	-103.08	377.87	4.71	-98.37
O=C([O-])C1=CC=C(CNC(=O)C2=CC(F)=C([O-])C(Cl)=C2)S1	REAL300002880539	0	28	-2.0	-89.95	295.37	4.95	-85.00
COC1=C(C(=O)NCC2=CC=C(C(=O)[O-])S2)NC(=O)[N-]C1=O	REAL300002880551	1	31	-2.0	-93.62	301.52	0.03	-93.59
O=C([O-])C1=CC=C(CNC(=O)C2=CC=C([O-])C(Cl)=C2)S1	REAL300002880679	0	28	-2.0	-89.66	289.16	4.88	-84.78
CCOC1=CC(C(=O)NCC2=CC=C(C(=O)[O-])S2)=CC(Cl)=C1[O-]	REAL300002880682	1	35	-2.0	-94.08	340.21	5.92	-88.16
COC1=CC=C(N2C=C([O-])C(C(=O)NCC3=CC=C(C(=O)[O-])S3)=N2)C=C1	REAL300002880694	0	39	-2.0	-108.27	363.42	4.91	-103.36
C[N-]S(=O)(=O)C1=CC(C(=O)NCC2=CC=C(C(=O)[O-])S2)=CO1	REAL300002880717	1	32	-2.0	-94.15	325.14	0.14	-94.01
O=C([O-])C1=CC=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300002880873	0	31	-2.0	-87.20	308.91	3.03	-84.17
O=C([O-])C1=CC=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)S1	REAL300002880873	1	31	-2.0	-87.11	308.97	3.04	-84.07
COCC1=NC=C(C(=O)NCC2=CC=C(C(=O)[O-])S2)C(=O)[N-]1	REAL300002881194	1	33	-2.0	-93.71	314.26	1.55	-92.16
O=C([O-])C1=CC=C(CNC(=O)C2=CN=C(C3CCC3)[N-]C2=O)S1	REAL300002881238	1	36	-2.0	-94.46	328.17	4.44	-90.02
O=C([O-])C1=CC=C(CNC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])S1	REAL300002881537	0	28	-2.0	-93.29	303.77	6.98	-86.31
CC1=C(C(=O)NCC2=CC=C(C(=O)[O-])S2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300002881840	0	36	-2.0	-99.01	337.88	4.04	-94.97
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC=C(CC(=O)[O-])C(F)=C2)=C1	REAL300002883271	1	41	-2.0	-105.09	365.70	5.63	-99.46
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(CC(=O)[O-])C(F)=C1	REAL300002883570	1	41	-2.0	-106.20	365.77	5.86	-100.34
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(CC(=O)[O-])C(F)=C2)O1	REAL300002884028	1	44	-2.0	-90.75	390.31	4.18	-86.57
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(CC(=O)[O-])C(F)=C2)O1	REAL300002884029	1	35	-2.0	-90.71	336.69	1.65	-89.06
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(CC(=O)[O-])C(F)=C1	REAL300002884290	0	38	-2.0	-104.81	344.31	4.96	-99.85
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=CC=C(CC(=O)[O-])C(F)=C2)=CS1	REAL300002884630	1	42	-2.0	-105.76	378.77	6.06	-99.70
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1=CC=C(CC(=O)[O-])C(F)=C1	REAL300002884860	0	38	-2.0	-98.99	350.67	5.02	-93.97
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(CC(=O)[O-])C(F)=C1	REAL300002884865	1	44	-2.0	-106.67	387.27	6.64	-100.03
COC1=CC=C(C(=O)NC2=CC=C(CC(=O)[O-])C(F)=C2)C([O-])=C1	REAL300002885453	1	35	-2.0	-115.21	311.16	6.63	-108.58
O=C([O-])CC1=CC=C(NC(=O)C2=CC=C([O-])C(F)=C2)C=C1F	REAL300002886006	1	31	-2.0	-96.85	290.12	5.89	-90.96
O=C([O-])CC1=CC=C(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C=C1F	REAL300002886018	1	34	-2.0	-107.48	320.39	8.31	-99.17
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=C(CC(=O)[O-])C(F)=C2)C=N1	REAL300002886124	0	37	-2.0	-96.77	345.64	3.98	-92.79
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3=CC=C(CC(=O)[O-])C(F)=C3)=N2)=C1	REAL300002886217	0	47	-2.0	-116.76	404.90	9.02	-107.74
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(CC(=O)[O-])C(F)=C3)=N2)C=C1	REAL300002886218	0	47	-2.0	-115.89	404.83	9.02	-106.87
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(CC(=O)[O-])C(F)=C2)=N1	REAL300002886314	0	41	-2.0	-112.97	372.31	8.12	-104.85
O=C([O-])CC1=CC=C(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C=C1F	REAL300002886319	0	38	-2.0	-114.72	351.04	7.16	-107.56
O=C([O-])CC1=CC=C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C=C1F	REAL300002886361	0	36	-2.0	-114.77	324.25	7.95	-106.82
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC=C(CC(=O)[O-])C(F)=C3)=N2)=C1	REAL300002886526	0	41	-2.0	-124.49	369.44	7.76	-116.73
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(CC(=O)[O-])C(F)=C2)=N1	REAL300002886527	0	44	-2.0	-118.81	386.00	8.84	-109.97
O=C([O-])CC1=CC=C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C=C1F	REAL300002886666	0	31	-2.0	-92.35	306.40	6.42	-85.93
O=C([O-])CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1F	REAL300002886782	0	34	-2.0	-103.09	309.34	4.73	-98.36
O=C([O-])CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1F	REAL300002886782	1	34	-2.0	-103.11	309.40	4.74	-98.37
O=C([O-])CC1=CC=C(NC(=O)C2=CC=C([O-])C(Cl)=C2)C=C1F	REAL300002886819	0	31	-2.0	-94.05	299.92	6.39	-87.66
CCOC1=CC(C(=O)NC2=CC=C(CC(=O)[O-])C(F)=C2)=CC(Cl)=C1[O-]	REAL300002886823	1	38	-2.0	-96.45	350.96	7.41	-89.04
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(CC(=O)[O-])C(F)=C3)=N2)C=C1	REAL300002886833	0	42	-2.0	-115.95	374.11	6.40	-109.55
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=C(CC(=O)[O-])C(F)=C2)=CO1	REAL300002886857	1	35	-2.0	-101.81	336.15	1.62	-100.19
O=C([O-])CC1=CC=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)C=C1F	REAL300002886950	0	39	-2.0	-95.31	347.89	10.32	-84.99
O=C([O-])CC1=CC=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)C=C1F	REAL300002886950	1	39	-2.0	-95.24	347.84	10.31	-84.93
O=C([O-])CC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1F	REAL300002887023	0	34	-2.0	-86.83	319.65	4.52	-82.31
O=C([O-])CC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1F	REAL300002887023	1	34	-2.0	-86.81	319.72	4.53	-82.28
COCC1=NC=C(C(=O)NC2=CC=C(CC(=O)[O-])C(F)=C2)C(=O)[N-]1	REAL300002887358	1	36	-2.0	-91.67	325.23	3.03	-88.64
O=C([O-])CC1=CC=C(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C=C1F	REAL300002887728	0	31	-2.0	-102.07	314.80	8.36	-93.71
CC1=C(C(=O)NC2=CC=C(CC(=O)[O-])C(F)=C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300002888037	1	39	-2.0	-98.20	347.88	5.55	-92.65
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CCC(=O)[O-])CC2CCCCC2)O1	REAL300002889199	1	50	-2.0	-95.99	411.37	3.67	-92.32
O=C([O-])CCC(CC1CCCCC1)NC(=O)C1=CC=C([O-])C(F)=C1	REAL300002890514	1	46	-2.0	-100.89	364.78	7.90	-92.99
O=C([O-])CCC(CC1CCCCC1)NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300002890526	1	49	-2.0	-118.30	395.17	10.33	-107.97
O=C([O-])CCC(CC1CCCCC1)NC(=O)CCC1=N[N-]N=N1	REAL300002890565	0	46	-2.0	-98.26	362.29	5.96	-92.30
O=C([O-])CCC(CC1CCCCC1)NC(=O)CCC1=NN=N[N-]1	REAL300002890565	1	46	-2.0	-98.25	362.35	5.97	-92.28
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(CCC(=O)[O-])CC2CCCCC2)C=N1	REAL300002890621	0	52	-2.0	-102.94	420.07	6.00	-96.94
O=C([O-])CCC(CC1CCCCC1)NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300002890642	1	51	-2.0	-104.62	398.00	7.39	-97.23
O=C([O-])CCC(CC1CCCCC1)NC(=O)C1=CN=CC([O-])=C1	REAL300002890668	1	45	-2.0	-106.79	353.68	6.00	-100.79
O=C([O-])CCC(CC1CCCCC1)NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300002890772	1	51	-2.0	-129.83	398.92	9.93	-119.90
O=C([O-])CCC(CC1CCCCC1)NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300002891002	0	46	-2.0	-99.09	380.83	8.47	-90.62
COC1=C(C(=O)NC(CCC(=O)[O-])CC2CCCCC2)NC(=O)[N-]C1=O	REAL300002891015	1	49	-2.0	-101.77	386.71	3.40	-98.37
O=C([O-])CCC(CC1CCCCC1)NC(=O)CCCC1=N[N-]N=N1	REAL300002891086	0	49	-2.0	-107.65	383.74	6.73	-100.92
O=C([O-])CCC(CC1CCCCC1)NC(=O)CCCC1=NN=N[N-]1	REAL300002891086	1	49	-2.0	-107.62	383.80	6.74	-100.88
O=C([O-])CCC(CC1CCCCC1)NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300002891115	0	46	-2.0	-98.39	374.58	8.39	-90.00
CCOC1=CC(C(=O)NC(CCC(=O)[O-])CC2CCCCC2)=CC(Cl)=C1[O-]	REAL300002891118	1	53	-2.0	-102.76	425.63	9.43	-93.33
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CCC(=O)[O-])CC2CCCCC2)=CO1	REAL300002891139	1	50	-2.0	-106.13	410.55	3.63	-102.50
O=C([O-])CCC(CC1CCCCC1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300002891264	0	49	-2.0	-91.10	394.32	6.54	-84.56
O=C([O-])CCC(CC1CCCCC1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300002891264	1	49	-2.0	-91.09	394.39	6.54	-84.55
O=C([O-])CCC(CC1CCCCC1)NC(=O)C1=C[N-]N=CC1=O	REAL300002891467	0	44	-2.0	-95.79	345.89	6.44	-89.35
COCC1=NC=C(C(=O)NC(CCC(=O)[O-])CC2CCCCC2)C(=O)[N-]1	REAL300002891489	1	51	-2.0	-104.30	399.36	5.06	-99.24
O=C([O-])CCC(CC1CCCCC1)NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300002891527	1	54	-2.0	-104.77	413.75	7.94	-96.83
O=C([O-])CCC(CC1CCCCC1)NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300002891743	0	46	-2.0	-113.53	389.23	10.37	-103.16
CC1=C(CCC(=O)N(C)C(C)(C)C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300002892382	1	50	-2.0	-110.61	388.95	7.23	-103.38
CN(C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1)C(C)(C)C(=O)[O-]	REAL300002892790	1	44	-2.0	-121.35	375.15	6.92	-114.43
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N(C)C(C)(C)C(=O)[O-])C=C1	REAL300002892846	1	42	-2.0	-135.62	352.84	10.19	-125.43
CN(C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1)C(C)(C)C(=O)[O-]	REAL300002892888	1	44	-2.0	-106.11	371.53	6.81	-99.30
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)C(C)(C)C(=O)[O-])C=C1	REAL300002892890	1	47	-2.0	-107.46	385.19	7.50	-99.96
CN(C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(C)(C)C(=O)[O-]	REAL300002892977	1	44	-2.0	-111.12	364.79	6.87	-104.25
CN(C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(C)(C)C(=O)[O-]	REAL300002892978	1	44	-2.0	-122.39	368.74	6.85	-115.54
CC1=CC(C(=O)N(C)C(C)(C)C(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300002892987	0	40	-2.0	-94.12	348.95	5.09	-89.03
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)C(C)(C)C(=O)[O-])C=C2)C=C1	REAL300002893086	1	47	-2.0	-106.08	386.35	7.54	-98.54
CN(C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(C)(C)C(=O)[O-]	REAL300002893153	0	41	-2.0	-118.85	357.05	5.74	-113.11
CN(C(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(C)(C)C(=O)[O-]	REAL300002893169	1	43	-2.0	-99.53	354.51	3.69	-95.84
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)C(C)(C)C(=O)[O-])O1	REAL300002893170	1	34	-2.0	-97.68	299.78	1.20	-96.48
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)C(C)(C)C(=O)[O-])=C2)C=C1	REAL300002893261	1	47	-2.0	-129.19	390.13	7.53	-121.66
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)C(C)(C)C(=O)[O-])=C2)=C1	REAL300002893288	1	47	-2.0	-129.53	390.13	7.54	-121.99
CN(C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C(C)(C)C(=O)[O-]	REAL300002893375	0	41	-2.0	-120.45	360.67	5.86	-114.59
CN(C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(C)(C)C(=O)[O-]	REAL300002893376	0	44	-2.0	-125.54	387.05	6.95	-118.59
CC(C)C(=O)[N-]C1=NC(CC(=O)N(C)C(C)(C)C(=O)[O-])=CS1	REAL300002893593	1	41	-2.0	-123.38	343.93	5.47	-117.91
CC1=C(CC(=O)N(C)C(C)(C)C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002893734	1	43	-2.0	-134.90	354.77	5.68	-129.22
CN(C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(C)(C)C(=O)[O-]	REAL300002893855	1	44	-2.0	-105.32	364.95	6.87	-98.45
CN(C(=O)C1=CC(Br)=C([O-])C(Br)=C1)C(C)(C)C(=O)[O-]	REAL300002894230	0	30	-2.0	-98.07	286.18	5.63	-92.44
CN(C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(C)(C)C(=O)[O-]	REAL300002894267	1	33	-2.0	-112.84	275.11	6.14	-106.70
CN(C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(C)(C)C(=O)[O-]	REAL300002894322	0	36	-2.0	-115.80	308.89	3.02	-112.78
CN(C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(C)(C)C(=O)[O-]	REAL300002894363	1	43	-2.0	-101.38	359.98	5.09	-96.29
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N(C)C(C)(C)C(=O)[O-])=N2)C=C1	REAL300002894377	0	46	-2.0	-139.67	367.37	8.79	-130.88
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(C)C(C)(C)C(=O)[O-])=N1	REAL300002894413	0	40	-2.0	-135.18	335.26	7.89	-127.29
CN(C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(C)(C)C(=O)[O-]	REAL300002894435	0	37	-2.0	-93.45	330.27	4.28	-89.17
CN(C(=O)C1=CN=C(I)C([O-])=C1)C(C)(C)C(=O)[O-]	REAL300002894460	0	29	-2.0	-97.96	269.31	4.03	-93.93
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N(C)C(C)(C)C(=O)[O-])=N2)=C1	REAL300002894481	0	40	-2.0	-144.97	331.93	7.52	-137.45
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(C)C(C)(C)C(=O)[O-])=N1	REAL300002894482	0	43	-2.0	-141.45	346.80	8.46	-132.99
CC1=C(CC(=O)N(C)C(C)(C)C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002894496	1	43	-2.0	-133.61	354.05	5.63	-127.98
CCOC1=CC(C(=O)N(C)C(C)(C)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300002894546	1	37	-2.0	-107.10	314.69	6.45	-100.65
CN(C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(C)(C)C(=O)[O-]	REAL300002894549	0	40	-2.0	-136.93	341.31	7.70	-129.23
COC1=CC=C(N2C=C([O-])C(C(=O)N(C)C(C)(C)C(=O)[O-])=N2)C=C1	REAL300002894552	0	41	-2.0	-139.20	336.60	6.15	-133.05
C[N-]S(=O)(=O)C1=CC(C(=O)N(C)C(C)(C)C(=O)[O-])=CO1	REAL300002894561	1	34	-2.0	-98.89	295.40	0.82	-98.07
CN(C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(C)(C)C(=O)[O-]	REAL300002894893	0	30	-2.0	-107.46	278.72	6.56	-100.90
COC1=CC=C(C(=O)NC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)C([O-])=C1	REAL300002896570	1	47	-2.0	-143.57	378.55	8.39	-135.18
O=C([O-])C1=CC(NC(=O)C2=CC=C([O-])C(F)=C2)=CC=C1N1CCCCC1	REAL300002896988	1	43	-2.0	-111.55	357.49	7.63	-103.92
O=C([O-])C1=CC(NC(=O)CCC2=N[N-]N=N2)=CC=C1N1CCCCC1	REAL300002897058	0	43	-2.0	-110.45	354.94	5.70	-104.75
O=C([O-])C1=CC(NC(=O)CCC2=NN=N[N-]2)=CC=C1N1CCCCC1	REAL300002897058	1	43	-2.0	-110.42	355.00	5.72	-104.70
O=C([O-])C1=CC(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)=CC=C1N1CCCCC1	REAL300002897134	1	48	-2.0	-112.38	390.37	7.21	-105.17
O=C([O-])C1=CC(NC(=O)C2=CN=CC([O-])=C2)=CC=C1N1CCCCC1	REAL300002897152	1	42	-2.0	-119.35	346.33	5.75	-113.60
O=C([O-])C1=CC(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)=CC=C1N1CCCCC1	REAL300002897261	0	48	-2.0	-115.64	391.63	9.71	-105.93
O=C([O-])C1=CC(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)=CC=C1N1CCCCC1	REAL300002897499	0	43	-2.0	-110.35	373.50	8.19	-102.16
O=C([O-])C1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1N1CCCCC1	REAL300002897594	0	46	-2.0	-123.99	376.44	6.48	-117.51
O=C([O-])C1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1N1CCCCC1	REAL300002897594	1	46	-2.0	-123.96	376.49	6.50	-117.46
O=C([O-])C1=CC(NC(=O)C2=CC=C([O-])C(Cl)=C2)=CC=C1N1CCCCC1	REAL300002897623	0	43	-2.0	-109.22	367.29	8.12	-101.10
O=C([O-])C1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=C1N1CCCCC1	REAL300002897755	0	46	-2.0	-90.79	387.09	6.29	-84.50
O=C([O-])C1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC=C1N1CCCCC1	REAL300002897755	1	46	-2.0	-90.84	387.02	6.28	-84.56
O=C([O-])C1=CC(NC(=O)C2=C[N-]N=CC2=O)=CC=C1N1CCCCC1	REAL300002897939	0	41	-2.0	-104.10	338.55	6.18	-97.92
COCC1=NC=C(C(=O)NC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)C(=O)[N-]1	REAL300002897962	1	48	-2.0	-102.42	392.33	4.80	-97.62
O=C([O-])C1=CC(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)=CC=C1N1CCCCC1	REAL300002897998	1	51	-2.0	-103.54	406.24	7.68	-95.86
CCC(C)CC(NC(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O)C(=O)[O-]	REAL300002900720	1	56	-2.0	-106.87	440.09	7.40	-99.47
CCC(C)CC(NC(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1)C(=O)[O-]	REAL300002901271	1	48	-2.0	-129.34	403.73	10.27	-119.07
CCC(C)CC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300002901633	1	49	-2.0	-97.47	408.03	3.65	-93.82
CCC(C)CC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C)O1)C(=O)[O-]	REAL300002901634	1	40	-2.0	-96.38	352.56	1.24	-95.14
CCC(C)CC(NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1)C(=O)[O-]	REAL300002902132	1	47	-2.0	-111.71	394.39	5.68	-106.03
CCC(C)CC(NC(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O)C(=O)[O-]	REAL300002902324	1	49	-2.0	-116.86	405.24	5.87	-110.99
CCC(C)CC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300002903113	1	39	-2.0	-119.38	336.35	8.04	-111.34
CCC(C)CC(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300002903190	0	42	-2.0	-104.05	362.01	3.53	-100.52
CCC(C)CC(NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C(=O)[O-]	REAL300002903208	1	41	-2.0	-111.91	339.10	5.00	-106.91
CCC(C)CC(NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-])C(=O)[O-]	REAL300002903256	0	52	-2.0	-133.48	421.37	8.63	-124.85
CCC(C)CC(NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])C(=O)[O-]	REAL300002903257	0	52	-2.0	-132.71	421.55	8.60	-124.11
CCC(C)CC(NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-])C(=O)[O-]	REAL300002903310	0	46	-2.0	-128.39	389.08	7.66	-120.73
CCC(C)CC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300002903315	0	43	-2.0	-129.13	367.77	6.71	-122.42
CCC(C)CC(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(=O)[O-]	REAL300002903335	1	41	-2.0	-135.27	340.80	7.65	-127.62
CCC(C)CC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300002903353	0	43	-2.0	-96.54	383.24	4.81	-91.73
CCC(C)CC(NC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300002903393	0	35	-2.0	-99.85	321.64	4.58	-95.27
CCC(C)CC(NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-])C(=O)[O-]	REAL300002903443	0	46	-2.0	-136.47	385.86	7.36	-129.11
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CC(C)CC)C(=O)[O-])=N1	REAL300002903444	0	49	-2.0	-135.27	402.38	8.43	-126.84
CCC(C)CC(NC(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O)C(=O)[O-]	REAL300002903486	1	49	-2.0	-114.63	404.51	5.82	-108.81
CCC(C)CC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300002903523	0	36	-2.0	-96.81	321.95	6.04	-90.77
CCC(C)CC(NC(=O)C1=C(OC)C(=O)[N-]C(=O)N1)C(=O)[O-]	REAL300002903529	1	39	-2.0	-99.05	328.92	1.05	-98.00
CCOC1=CC(C(=O)NC(CC(C)CC)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300002903606	1	43	-2.0	-102.37	367.63	6.97	-95.40
CCC(C)CC(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300002903609	0	46	-2.0	-137.47	391.01	8.15	-129.32
CCC(C)CC(NC(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-])C(=O)[O-]	REAL300002903614	0	47	-2.0	-132.33	390.83	5.97	-126.36
CCC(C)CC(NC(=O)C1=COC(S(=O)(=O)[N-]C)=C1)C(=O)[O-]	REAL300002903625	1	40	-2.0	-102.84	351.72	1.22	-101.62
CCC(C)CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300002903730	0	39	-2.0	-91.10	336.20	4.14	-86.96
CCC(C)CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300002903730	1	39	-2.0	-91.16	336.27	4.14	-87.02
CCC(C)CC(NC(=O)C1=CN=C(COC)[N-]C1=O)C(=O)[O-]	REAL300002903946	1	41	-2.0	-110.31	340.34	2.63	-107.68
CCC(C)CC(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(=O)[O-]	REAL300002903982	1	44	-2.0	-112.48	355.62	5.50	-106.98
CCC(C)CC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300002904177	0	36	-2.0	-115.31	330.39	8.08	-107.23
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)O1	REAL300002907375	1	42	-2.0	-101.67	366.10	3.39	-98.28
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300002907567	0	45	-2.0	-121.08	376.52	6.28	-114.80
CC1=C(C(=O)N2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300002908119	1	51	-2.0	-111.36	408.22	7.59	-103.77
O=C([O-])C1(C2=CC=CC=C2)CCN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300002909120	1	38	-2.0	-94.75	321.31	7.87	-86.88
O=C([O-])C1(C2=CC=CC=C2)CCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300002909133	1	41	-2.0	-126.03	352.24	9.07	-116.96
O=C([O-])C1(C2=CC=CC=C2)CCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300002909187	0	38	-2.0	-105.11	320.05	5.79	-99.32
O=C([O-])C1(C2=CC=CC=C2)CCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300002909187	1	38	-2.0	-105.07	320.11	5.80	-99.27
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)C=N1	REAL300002909268	0	44	-2.0	-112.10	375.05	5.28	-106.82
O=C([O-])C1(C2=CC=CC=C2)CCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300002909299	1	43	-2.0	-111.97	361.35	6.78	-105.19
O=C([O-])C1(C2=CC=CC=C2)CCN(C(=O)C2=CN=CC([O-])=C2)C1	REAL300002909339	1	37	-2.0	-111.00	308.14	5.32	-105.68
O=C([O-])C1(C2=CC=CC=C2)CCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1	REAL300002909454	0	45	-2.0	-129.50	380.43	9.06	-120.44
O=C([O-])C1(C2=CC=CC=C2)CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300002909500	1	43	-2.0	-133.61	352.91	10.21	-123.40
O=C([O-])C1(C2=CC=CC=C2)CCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300002909787	0	38	-2.0	-100.49	332.44	7.67	-92.82
COC1=C(C(=O)N2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)NC(=O)[N-]C1=O	REAL300002909805	1	41	-2.0	-103.43	344.23	3.30	-100.13
O=C([O-])C1(C2=CC=CC=C2)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300002909903	0	41	-2.0	-114.36	341.55	6.57	-107.79
O=C([O-])C1(C2=CC=CC=C2)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300002909903	1	41	-2.0	-114.34	341.61	6.58	-107.76
O=C([O-])C1(C2=CC=CC=C2)CCN(C(=O)C2=CC=C([O-])C(Cl)=C2)C1	REAL300002909939	0	38	-2.0	-91.89	332.75	8.33	-83.56
CCOC1=CC(C(=O)N2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)=CC(Cl)=C1[O-]	REAL300002909943	1	45	-2.0	-106.50	377.27	8.65	-97.85
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)=CO1	REAL300002909976	1	42	-2.0	-93.38	364.21	3.66	-89.72
O=C([O-])C1(C2=CC=CC=C2)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300002910139	0	41	-2.0	-87.58	349.32	7.35	-80.23
O=C([O-])C1(C2=CC=CC=C2)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300002910139	1	41	-2.0	-87.56	349.39	7.36	-80.20
O=C([O-])C1(C2=CC=CC=C2)CCN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300002910421	0	36	-2.0	-105.09	300.07	5.91	-99.18
COCC1=NC=C(C(=O)N2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)C(=O)[N-]1	REAL300002910455	1	43	-2.0	-111.14	363.44	4.36	-106.78
O=C([O-])C1(C2=CC=CC=C2)CCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300002910503	1	46	-2.0	-111.82	377.20	7.33	-104.49
O=C([O-])C1(C2=CC=CC=C2)CCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300002910808	0	38	-2.0	-121.16	343.80	9.78	-111.38
CC1=C(C(=O)N2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300002911106	0	46	-2.0	-134.93	392.00	6.97	-127.96
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)O1	REAL300002912455	1	41	-2.0	-89.93	366.27	0.26	-89.67
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300002912642	0	44	-2.0	-103.77	379.15	3.18	-100.59
CC1=C(C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300002913169	1	50	-2.0	-104.24	409.45	4.63	-99.61
O=C([O-])C1=CN(C2CCCN(C(=O)C3=CC=C([O-])C(F)=C3)C2)N=N1	REAL300002914152	1	37	-2.0	-97.57	323.26	4.28	-93.29
O=C([O-])C1=CN(C2CCCN(C(=O)C3=CC=C(C(F)(F)F)C=C3[O-])C2)N=N1	REAL300002914165	1	40	-2.0	-100.60	355.20	5.50	-95.10
O=C([O-])C1=CN(C2CCCN(C(=O)CCC3=NN=N[N-]3)C2)N=N1	REAL300002914221	0	37	-2.0	-93.43	320.25	2.68	-90.75
O=C([O-])C1=CN(C2CCCN(C(=O)CCC3=N[N-]N=N3)C2)N=N1	REAL300002914221	1	37	-2.0	-93.45	320.19	2.67	-90.78
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)C=N1	REAL300002914296	0	43	-2.0	-101.09	378.36	2.38	-98.71
O=C([O-])C1=CN(C2CCCN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)C2)N=N1	REAL300002914327	1	42	-2.0	-102.71	361.65	3.71	-99.00
O=C([O-])C1=CN(C2CCCN(C(=O)C3=CN=CC([O-])=C3)C2)N=N1	REAL300002914365	1	36	-2.0	-102.87	311.24	2.37	-100.50
O=C([O-])C1=CN(C2CCCN(C(=O)C3=C([O-])C4=CC=CC=C4C=N3)C2)N=N1	REAL300002914522	1	42	-2.0	-106.02	353.89	7.17	-98.85
O=C([O-])C1=CN(C2CCCN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)C2)N=N1	REAL300002914809	0	37	-2.0	-92.76	339.26	4.82	-87.94
COC1=C(C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)NC(=O)[N-]C1=O	REAL300002914828	1	40	-2.0	-94.28	350.67	-1.23	-95.51
O=C([O-])C1=CN(C2CCCN(C(=O)CCCC3=NN=N[N-]3)C2)N=N1	REAL300002914924	0	40	-2.0	-105.36	342.09	3.50	-101.86
O=C([O-])C1=CN(C2CCCN(C(=O)CCCC3=N[N-]N=N3)C2)N=N1	REAL300002914924	1	40	-2.0	-105.30	342.04	3.48	-101.82
O=C([O-])C1=CN(C2CCCN(C(=O)C3=CC=C([O-])C(Cl)=C3)C2)N=N1	REAL300002914959	0	37	-2.0	-93.72	333.05	4.75	-88.97
CCOC1=CC(C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)=CC(Cl)=C1[O-]	REAL300002914962	1	44	-2.0	-96.31	384.11	5.80	-90.51
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)=CO1	REAL300002914995	1	41	-2.0	-106.95	365.38	0.04	-106.91
O=C([O-])C1=CN(C2CCCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)N=N1	REAL300002915154	0	40	-2.0	-96.21	349.44	3.70	-92.51
O=C([O-])C1=CN(C2CCCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)N=N1	REAL300002915154	1	40	-2.0	-96.20	349.38	3.70	-92.50
O=C([O-])C1=CN(C2CCCN(C(=O)C3=C[N-]N=CC3=O)C2)N=N1	REAL300002915428	0	35	-2.0	-86.51	304.03	2.68	-83.83
COCC1=NC=C(C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)C(=O)[N-]1	REAL300002915461	1	42	-2.0	-100.76	358.21	1.22	-99.54
O=C([O-])C1=CN(C2CCCN(C(=O)C3=CN=C(C4CCC4)[N-]C3=O)C2)N=N1	REAL300002915508	1	45	-2.0	-101.98	372.50	4.19	-97.79
O=C([O-])C1=CN(C2CCCN(C(=O)C3=CC(Cl)=CC(Cl)=C3[O-])C2)N=N1	REAL300002915806	0	37	-2.0	-100.86	349.32	5.53	-95.33
CC1=C(C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300002916102	0	45	-2.0	-107.00	389.51	3.72	-103.28
O=C([O-])C(CNC(=O)C1=CC=C([O-])C(F)=C1)OC1=CC=C(Br)C=C1	REAL300002917892	1	35	-2.0	-91.13	338.48	6.07	-85.06
O=C([O-])C(CNC(=O)CCC1=N[N-]N=N1)OC1=CC=C(Br)C=C1	REAL300002917944	0	35	-2.0	-88.44	335.95	4.13	-84.31
O=C([O-])C(CNC(=O)CCC1=NN=N[N-]1)OC1=CC=C(Br)C=C1	REAL300002917944	1	35	-2.0	-88.46	336.00	4.14	-84.32
O=C([O-])C(CNC(=O)C1=CN=CC([O-])=C1)OC1=CC=C(Br)C=C1	REAL300002917977	1	34	-2.0	-92.94	327.13	4.25	-88.69
O=C([O-])C(CNC(=O)CCCC1=N[N-]N=N1)OC1=CC=C(Br)C=C1	REAL300002918112	0	38	-2.0	-96.39	357.44	4.91	-91.48
O=C([O-])C(CNC(=O)CCCC1=NN=N[N-]1)OC1=CC=C(Br)C=C1	REAL300002918112	1	38	-2.0	-96.42	357.50	4.92	-91.50
O=C([O-])C(CNC(=O)C1=C[N-]N=CC1=O)OC1=CC=C(Br)C=C1	REAL300002918216	0	33	-2.0	-88.34	319.34	4.68	-83.66
O=C([O-])[C@@H]1CN(C(=O)CCC2=N[N-]N=N2)C[C@H]1C1=CC=C(Br)C=C1	REAL300002919597	0	38	-2.0	-87.17	346.95	6.61	-80.56
O=C([O-])[C@@H]1CN(C(=O)CCC2=NN=N[N-]2)C[C@H]1C1=CC=C(Br)C=C1	REAL300002919597	1	38	-2.0	-87.23	347.01	6.62	-80.61
O=C([O-])[C@@H]1CN(C(=O)C2=CN=CC([O-])=C2)C[C@H]1C1=CC=C(Br)C=C1	REAL300002919621	1	37	-2.0	-100.10	332.33	6.19	-93.91
O=C([O-])[C@@H]1CN(C(=O)C2=C[N-]N=CC2=O)C[C@H]1C1=CC=C(Br)C=C1	REAL300002919745	0	36	-2.0	-105.24	335.95	6.77	-98.47
O=C([O-])[C@@H]1CN(C(=O)C2=CC=C([O-])C(F)=C2)C[C@H]1C1=CC=C(F)C=C1F	REAL300002922635	1	38	-2.0	-94.72	336.89	7.66	-87.06
O=C([O-])[C@@H]1CN(C(=O)CCC2=N[N-]N=N2)C[C@H]1C1=CC=C(F)C=C1F	REAL300002922701	0	38	-2.0	-102.64	337.72	6.15	-96.49
O=C([O-])[C@@H]1CN(C(=O)CCC2=NN=N[N-]2)C[C@H]1C1=CC=C(F)C=C1F	REAL300002922701	1	38	-2.0	-102.61	337.77	6.17	-96.44
O=C([O-])[C@@H]1CN(C(=O)C2=CN=CC([O-])=C2)C[C@H]1C1=CC=C(F)C=C1F	REAL300002922783	1	37	-2.0	-90.09	324.38	6.25	-83.84
O=C([O-])[C@@H]1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C[C@H]1C1=CC=C(F)C=C1F	REAL300002922877	1	43	-2.0	-113.97	371.36	10.69	-103.28
O=C([O-])[C@@H]1CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C[C@H]1C1=CC=C(F)C=C1F	REAL300002923075	0	38	-2.0	-94.48	349.69	8.05	-86.43
COC1=C(C(=O)N2C[C@@H](C3=CC=C(F)C=C3F)[C@H](C(=O)[O-])C2)NC(=O)[N-]C1=O	REAL300002923093	1	41	-2.0	-108.84	360.32	3.72	-105.12
O=C([O-])[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@H]1C1=CC=C(F)C=C1F	REAL300002923160	0	41	-2.0	-90.65	358.61	6.85	-83.80
O=C([O-])[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@H]1C1=CC=C(F)C=C1F	REAL300002923160	1	41	-2.0	-90.70	358.66	6.87	-83.83
O=C([O-])[C@@H]1CN(C(=O)C2=CC=C([O-])C(Cl)=C2)C[C@H]1C1=CC=C(F)C=C1F	REAL300002923185	0	38	-2.0	-89.98	346.71	8.14	-81.84
O=C([O-])[C@@H]1CN(C(=O)C2=C[N-]N=CC2=O)C[C@H]1C1=CC=C(F)C=C1F	REAL300002923454	0	36	-2.0	-101.03	326.94	6.20	-94.83
COCC1=NC=C(C(=O)N2C[C@@H](C3=CC=C(F)C=C3F)[C@H](C(=O)[O-])C2)C(=O)[N-]1	REAL300002923474	1	43	-2.0	-100.87	381.89	4.83	-96.04
CC1=C(CCC(=O)NC2(CC(=O)[O-])CC2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300002925481	1	48	-2.0	-114.12	391.36	5.68	-108.44
O=C([O-])CC1(NC(=O)C2=CC=CC(S(=O)(=O)[N-]C3=CC=C(F)C=C3)=C2)CC1	REAL300002925888	1	42	-2.0	-101.45	380.17	5.94	-95.51
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300002925948	1	40	-2.0	-123.01	355.22	8.84	-114.17
O=C([O-])CC1(NC(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C=C3)C=C2)CC1	REAL300002925993	1	42	-2.0	-99.34	379.93	5.97	-93.37
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300002925995	1	45	-2.0	-97.87	393.61	6.65	-91.22
O=C([O-])CC1(NC(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3)C=C2)CC1	REAL300002926083	1	42	-2.0	-106.34	373.54	5.90	-100.44
O=C([O-])CC1(NC(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)CC1	REAL300002926084	1	42	-2.0	-108.29	373.72	5.89	-102.40
CC1=CC(C(=O)NC2(CC(=O)[O-])CC2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300002926093	0	38	-2.0	-89.51	351.49	3.67	-85.84
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NC3(CC(=O)[O-])CC3)C=C2)C=C1	REAL300002926187	1	45	-2.0	-98.58	395.12	6.56	-92.02
O=C([O-])CC1(NC(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CS3)C=C2)CC1	REAL300002926253	0	39	-2.0	-104.54	365.46	4.90	-99.64
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(CC(=O)[O-])CC2)O1	REAL300002926270	1	41	-2.0	-97.94	360.21	2.09	-95.85
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(CC(=O)[O-])CC2)O1	REAL300002926271	1	32	-2.0	-98.73	305.43	-0.31	-99.04
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NC3(CC(=O)[O-])CC3)=C2)C=C1	REAL300002926363	1	45	-2.0	-108.83	395.14	6.55	-102.28
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)NC3(CC(=O)[O-])CC3)=C2)=C1	REAL300002926388	1	45	-2.0	-108.82	395.13	6.54	-102.28
O=C([O-])CC1(NC(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CS3)=C2)CC1	REAL300002926477	0	39	-2.0	-106.29	365.65	4.88	-101.41
O=C([O-])CC1(NC(=O)CC2=CC=C([N-]S(=O)(=O)C3=CC=CS3)C=C2)CC1	REAL300002926478	0	42	-2.0	-106.71	390.30	5.56	-101.15
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2(CC(=O)[O-])CC2)=CS1	REAL300002926692	1	39	-2.0	-102.57	347.14	4.12	-98.45
CC1=C(CC(=O)NC2(CC(=O)[O-])CC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002926837	1	41	-2.0	-107.98	358.04	4.30	-103.68
O=C([O-])CC1(NC(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3)C=C2)CC1	REAL300002926965	1	42	-2.0	-98.20	373.70	5.89	-92.31
O=C([O-])CC1(NC(=O)C2=CC(Br)=C([O-])C(Br)=C2)CC1	REAL300002927341	0	28	-2.0	-91.85	293.38	5.21	-86.64
O=C([O-])CC1(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CC1	REAL300002927377	1	31	-2.0	-109.76	289.13	6.44	-103.32
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2(CC(=O)[O-])CC2)C=N1	REAL300002927433	0	34	-2.0	-103.08	313.19	1.86	-101.22
O=C([O-])CC1(NC(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=NC=C3)C=C2)CC1	REAL300002927473	1	41	-2.0	-93.74	368.75	4.12	-89.62
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3(CC(=O)[O-])CC3)=N2)=C1	REAL300002927487	0	44	-2.0	-126.80	372.99	7.05	-119.75
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3(CC(=O)[O-])CC3)=N2)C=C1	REAL300002927488	0	44	-2.0	-125.37	371.36	7.38	-117.99
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2(CC(=O)[O-])CC2)=N1	REAL300002927524	0	38	-2.0	-121.40	340.83	6.07	-115.33
O=C([O-])CC1(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CC1	REAL300002927527	0	35	-2.0	-122.82	319.79	5.22	-117.60
O=C([O-])CC1(NC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)CC1	REAL300002927548	0	35	-2.0	-88.57	332.44	2.87	-85.70
O=C([O-])CC1(NC(=O)C2=CN=C(I)C([O-])=C2)CC1	REAL300002927574	0	27	-2.0	-96.19	274.50	3.05	-93.14
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3(CC(=O)[O-])CC3)=N2)=C1	REAL300002927596	0	38	-2.0	-129.74	335.92	6.10	-123.64
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2(CC(=O)[O-])CC2)=N1	REAL300002927597	0	41	-2.0	-128.72	354.62	6.84	-121.88
CC1=C(CC(=O)NC2(CC(=O)[O-])CC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002927610	1	41	-2.0	-105.85	357.28	4.25	-101.60
CCOC1=CC(C(=O)NC2(CC(=O)[O-])CC2)=CC(Cl)=C1[O-]	REAL300002927660	1	35	-2.0	-99.24	318.98	5.45	-93.79
O=C([O-])CC1(NC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])CC1	REAL300002927663	0	38	-2.0	-130.93	342.60	6.57	-124.36
COC1=CC=C(N2C=C([O-])C(C(=O)NC3(CC(=O)[O-])CC3)=N2)C=C1	REAL300002927666	0	39	-2.0	-124.75	342.18	4.44	-120.31
C[N-]S(=O)(=O)C1=CC(C(=O)NC2(CC(=O)[O-])CC2)=CO1	REAL300002927675	1	32	-2.0	-97.82	303.91	-0.32	-98.14
O=C([O-])CC1(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300002928008	0	28	-2.0	-106.48	283.19	6.48	-100.00
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC2C(=O)[N-]C2=NC=CS2)O1	REAL300002929352	1	35	-2.0	-94.68	334.67	2.66	-92.02
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(C(=O)[N-]C3=NC=CS3)CC2)C=C1	REAL300002929356	1	41	-2.0	-102.31	371.36	4.40	-97.91
O=C([O-])C1=CC=C(S(=O)(=O)NCC(=O)[N-]C2=NC=CS2)C=C1	REAL300002929357	1	31	-2.0	-91.60	310.83	0.93	-90.67
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(C(=O)[N-]C3=NC=CS3)CC2)O1	REAL300002929361	1	38	-2.0	-95.00	355.62	2.79	-92.21
O=C([O-])C1=CC=C2CCCC(CC(=O)[N-]C3=NC=CS3)C2=C1	REAL300002929367	1	36	-2.0	-105.72	311.01	7.43	-98.29
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)[N-]C2=NC=CS2)C1	REAL300002929368	1	32	-2.0	-103.88	298.36	4.69	-99.19
O=C([O-])C1=CN(CC(=O)[N-]C2=NC=CS2)C2=CC=CC=C12	REAL300002929370	1	30	-2.0	-109.36	290.12	6.66	-102.70
O=C(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)[N-]C1=NC2=C(CCCC2)S1	REAL300002929455	1	41	-2.0	-96.62	374.59	3.51	-93.11
O=C([O-])C1=CN(CC(=O)[N-]C2=NC3=C(CCCC3)S2)N=N1	REAL300002929471	1	32	-2.0	-107.84	297.67	3.79	-104.05
O=C([O-])C12CCC(C(=O)[N-]C3=NC4=C(CCCC4)S3)(CC1)C2	REAL300002929481	1	40	-2.0	-105.89	329.67	7.48	-98.41
O=C([O-])C12CCC(C(=O)[N-]C3=NC4=C(CCCC4)S3)(CC1)CC2	REAL300002929482	1	43	-2.0	-95.19	339.37	7.59	-87.60
O=C([O-])C1=CN(CC(=O)[N-]C2=NC3=C(CCCC3)S2)N=C1	REAL300002929488	1	33	-2.0	-106.43	302.60	5.27	-101.16
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)[N-]C2=NC3=C(CCCC3)S2)C1	REAL300002929492	1	42	-2.0	-110.25	362.11	7.28	-102.97
C[C@@H]1C[C@H](C(=O)[N-]C2=NC3=C(CCCC3)S2)O[C@H]1C(=O)[O-]	REAL300002929496	1	37	-2.0	-107.37	316.18	6.12	-101.25
O=C(COCC1=C(C(=O)[O-])N=CO1)[N-]C1=NC2=C(CCCC2)S1	REAL300002929501	1	36	-2.0	-120.19	328.63	2.79	-117.40
O=C([O-])C1=NN(CC(=O)[N-]C2=NC3=C(CCCC3)S2)C=C1	REAL300002929506	1	33	-2.0	-121.63	301.93	5.29	-116.34
O=C([O-])CC[C@@H]1CC[C@H](C(=O)[N-]C2=NC3=C(CCCC3)S2)O1	REAL300002929508	1	40	-2.0	-110.74	339.69	7.01	-103.73
O=C([O-])C1(C(=O)[N-]C2=NC3=C(CCCC3)S2)CC1C1=CC=CC=C1	REAL300002929514	1	40	-2.0	-123.33	337.30	9.18	-114.15
O=C([O-])C1=CN(CC(=O)[N-]C2=NC3=C(CCCC3)S2)C2=CC=CC=C12	REAL300002929516	1	40	-2.0	-114.89	353.87	9.24	-105.65
O=C([O-])C12CC(C(=O)[N-]C3=NC4=C(CCCC4)S3)(C1)OC2	REAL300002929537	1	35	-2.0	-98.76	304.22	4.23	-94.53
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300002929547	1	38	-2.0	-139.39	316.15	5.30	-134.09
CC(C)[C@]1(C(=O)[N-]C2=NC3=C(CCCC3)S2)C[C@H]1C(=O)[O-]	REAL300002929549	1	39	-2.0	-134.07	325.52	7.09	-126.98
O=C([O-])C12CCC(C(=O)[N-]C3=NC4=C(CCCC4)S3)(CC1)CC2	REAL300002929554	1	43	-2.0	-95.19	339.37	7.59	-87.60
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C2CCCC(OC)C2)O1	REAL300002933198	1	45	-2.0	-100.40	383.60	0.87	-99.53
COC1CCCC(C(NC(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)C(=O)[O-])C1	REAL300002933608	1	52	-2.0	-114.81	426.50	5.08	-109.73
COC1CCCC(C(NC(=O)C2=CC=C([O-])C(F)=C2)C(=O)[O-])C1	REAL300002934642	1	41	-2.0	-105.27	339.04	4.97	-100.30
COC1CCCC(C(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C(=O)[O-])C1	REAL300002934653	1	44	-2.0	-122.03	367.29	7.63	-114.40
COC1CCCC(C(NC(=O)CCC2=N[N-]N=N2)C(=O)[O-])C1	REAL300002934689	0	41	-2.0	-101.90	332.82	2.82	-99.08
COC1CCCC(C(NC(=O)CCC2=NN=N[N-]2)C(=O)[O-])C1	REAL300002934689	1	41	-2.0	-101.88	332.88	2.83	-99.05
COC1CCCC(C(NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C(=O)[O-])C1	REAL300002934753	0	47	-2.0	-105.89	389.11	3.00	-102.89
COC1CCCC(C(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)C(=O)[O-])C1	REAL300002934778	1	46	-2.0	-113.60	371.24	4.42	-109.18
COC1CCCC(C(NC(=O)C2=CN=CC([O-])=C2)C(=O)[O-])C1	REAL300002934812	1	40	-2.0	-107.20	326.94	3.02	-104.18
COC1CCCC(C(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C(=O)[O-])C1	REAL300002934896	0	48	-2.0	-135.00	397.02	5.97	-129.03
COC1CCCC(C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C(=O)[O-])C1	REAL300002934928	1	46	-2.0	-137.85	372.24	7.07	-130.78
COC1CCCC(C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C(=O)[O-])C1	REAL300002935162	0	41	-2.0	-101.88	351.38	5.32	-96.56
COC1=C(C(=O)NC(C(=O)[O-])C2CCCC(OC)C2)NC(=O)[N-]C1=O	REAL300002935174	1	44	-2.0	-101.07	363.11	0.55	-100.52
COC1CCCC(C(NC(=O)CCCC2=N[N-]N=N2)C(=O)[O-])C1	REAL300002935253	0	44	-2.0	-110.80	354.31	3.60	-107.20
COC1CCCC(C(NC(=O)CCCC2=NN=N[N-]2)C(=O)[O-])C1	REAL300002935253	1	44	-2.0	-110.82	354.37	3.61	-107.21
COC1CCCC(C(NC(=O)C2=CC=C([O-])C(Cl)=C2)C(=O)[O-])C1	REAL300002935285	0	41	-2.0	-103.24	350.75	5.42	-97.82
CCOC1=CC(C(=O)NC(C(=O)[O-])C2CCCC(OC)C2)=CC(Cl)=C1[O-]	REAL300002935288	1	48	-2.0	-107.52	396.89	6.23	-101.29
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C(=O)[O-])C2CCCC(OC)C2)=CO1	REAL300002935310	1	45	-2.0	-107.92	381.12	0.50	-107.42
COC1CCCC(C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(=O)[O-])C1	REAL300002935448	0	44	-2.0	-93.12	367.65	3.55	-89.57
COC1CCCC(C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(=O)[O-])C1	REAL300002935448	1	44	-2.0	-93.14	367.71	3.56	-89.58
COC1CCCC(C(NC(=O)C2=C[N-]N=CC2=O)C(=O)[O-])C1	REAL300002935673	0	39	-2.0	-104.49	322.02	3.48	-101.01
COCC1=NC=C(C(=O)NC(C(=O)[O-])C2CCCC(OC)C2)C(=O)[N-]1	REAL300002935696	1	46	-2.0	-117.20	373.86	2.22	-114.98
COC1CCCC(C(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C(=O)[O-])C1	REAL300002935738	1	49	-2.0	-113.86	386.99	4.97	-108.89
COC1CCCC(C(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C(=O)[O-])C1	REAL300002935973	0	41	-2.0	-120.57	360.42	7.26	-113.31
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCCN2C=NC(C(=O)[O-])=C2)=C1	REAL300002937096	0	41	-2.0	-114.47	368.25	4.45	-110.02
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCN1C=NC(C(=O)[O-])=C1	REAL300002937411	0	41	-2.0	-115.57	368.32	4.67	-110.90
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCCN2C=NC(C(=O)[O-])=C2)C=C1	REAL300002937461	1	43	-2.0	-120.06	390.31	9.58	-110.48
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCCN2C=NC(C(=O)[O-])=C2)O1	REAL300002937904	1	44	-2.0	-100.27	394.75	2.88	-97.39
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCCN2C=NC(C(=O)[O-])=C2)O1	REAL300002937905	1	35	-2.0	-99.98	339.30	0.47	-99.51
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCN1C=NC(C(=O)[O-])=C1	REAL300002938178	0	38	-2.0	-114.18	346.85	3.77	-110.41
CC(C)C(=O)[N-]C1=NC(CC(=O)NCCN2C=NC(C(=O)[O-])=C2)=CS1	REAL300002938547	1	42	-2.0	-117.38	381.06	4.87	-112.51
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCCN1C=NC(C(=O)[O-])=C1	REAL300002938783	0	38	-2.0	-107.74	353.26	3.84	-103.90
CC1=C(CC(=O)NCCN2C=NC(C(=O)[O-])=C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002938786	1	44	-2.0	-121.26	391.89	5.07	-116.19
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCN1C=NC(C(=O)[O-])=C1	REAL300002938789	0	44	-2.0	-116.05	389.82	5.46	-110.59
CC1=C(C(=O)NCCN2C=NC(C(=O)[O-])=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300002938869	1	44	-2.0	-99.15	370.94	5.26	-93.89
O=C([O-])C1=CN(CCNC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C=N1	REAL300002939900	1	34	-2.0	-115.57	322.99	7.25	-108.32
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCCN2C=NC(C(=O)[O-])=C2)C=N1	REAL300002940008	0	37	-2.0	-106.06	347.90	2.80	-103.26
O=C([O-])C1=CN(CCNC(=O)C2=CN=C(C3CC3)[N-]C2=O)C=N1	REAL300002940041	1	36	-2.0	-98.71	325.72	4.20	-94.51
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCCN3C=NC(C(=O)[O-])=C3)=N2)=C1	REAL300002940099	0	47	-2.0	-123.50	407.50	7.84	-115.66
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCCN3C=NC(C(=O)[O-])=C3)=N2)C=C1	REAL300002940100	0	47	-2.0	-122.71	407.43	7.84	-114.87
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCCN2C=NC(C(=O)[O-])=C2)=N1	REAL300002940190	0	41	-2.0	-120.48	374.98	6.94	-113.54
O=C([O-])C1=CN(CCNC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C=N1	REAL300002940195	0	38	-2.0	-122.07	353.65	5.99	-116.08
O=C([O-])C1=CN(CCNC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C=N1	REAL300002940226	1	36	-2.0	-121.43	326.80	6.87	-114.56
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCCN3C=NC(C(=O)[O-])=C3)=N2)=C1	REAL300002940379	0	41	-2.0	-127.63	371.99	6.58	-121.05
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCCN2C=NC(C(=O)[O-])=C2)=N1	REAL300002940380	0	44	-2.0	-125.27	388.48	7.66	-117.61
O=C([O-])C1=CN(CCNC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C=N1	REAL300002940501	0	31	-2.0	-102.91	308.67	5.26	-97.65
COC1=C(C(=O)NCCN2C=NC(C(=O)[O-])=C2)NC(=O)[N-]C1=O	REAL300002940512	1	34	-2.0	-105.39	314.63	0.33	-105.06
O=C([O-])C1=CN(CCNC(=O)C2=CC=C([O-])C(Cl)=C2)C=N1	REAL300002940637	0	31	-2.0	-102.06	302.46	5.20	-96.86
CCOC1=CC(C(=O)NCCN2C=NC(C(=O)[O-])=C2)=CC(Cl)=C1[O-]	REAL300002940640	1	38	-2.0	-106.25	353.51	6.22	-100.03
COC1=CC=C(N2C=C([O-])C(C(=O)NCCN3C=NC(C(=O)[O-])=C3)=N2)C=C1	REAL300002940652	0	42	-2.0	-122.77	376.72	5.23	-117.54
C[N-]S(=O)(=O)C1=CC(C(=O)NCCN2C=NC(C(=O)[O-])=C2)=CO1	REAL300002940675	1	35	-2.0	-111.92	338.44	0.44	-111.48
O=C([O-])C1=CN(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=N1	REAL300002940832	0	34	-2.0	-97.34	322.27	3.36	-93.98
O=C([O-])C1=CN(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=N1	REAL300002940832	1	34	-2.0	-97.35	322.21	3.34	-94.01
COCC1=NC=C(C(=O)NCCN2C=NC(C(=O)[O-])=C2)C(=O)[N-]1	REAL300002941151	1	36	-2.0	-98.53	327.56	1.86	-96.67
O=C([O-])C1=CN(CCNC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C=N1	REAL300002941195	1	39	-2.0	-98.56	341.47	4.75	-93.81
O=C([O-])C1=CN(CCNC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C=N1	REAL300002941493	0	31	-2.0	-110.75	317.06	7.28	-103.47
CC1=C(C(=O)NCCN2C=NC(C(=O)[O-])=C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300002941793	0	39	-2.0	-102.50	351.17	4.35	-98.15
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=C1	REAL300002947935	0	45	-2.0	-100.41	377.04	5.85	-94.56
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300002948250	0	45	-2.0	-106.57	371.40	6.02	-100.55
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=C1	REAL300002948300	1	47	-2.0	-105.81	399.06	11.45	-94.36
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)O1	REAL300002948743	1	48	-2.0	-102.85	400.96	4.82	-98.03
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)O1	REAL300002948744	1	39	-2.0	-101.62	345.51	2.41	-99.21
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300002949017	0	42	-2.0	-103.44	351.45	5.22	-98.22
CC(C)C(=O)[N-]C1=NC(CC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=CS1	REAL300002949386	1	46	-2.0	-95.62	390.46	6.79	-88.83
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300002949622	0	42	-2.0	-104.39	355.08	5.09	-99.30
CC1=C(CC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002949625	1	48	-2.0	-110.86	401.46	6.97	-103.89
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300002949628	0	48	-2.0	-101.52	398.68	6.86	-94.66
CC1=C(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300002949708	1	48	-2.0	-124.04	382.56	6.42	-117.62
O=C([O-])[C@@H]1CN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C[C@H]1C1CC1	REAL300002950739	1	38	-2.0	-109.35	324.75	8.19	-101.16
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=N1	REAL300002950847	0	41	-2.0	-103.09	346.42	4.08	-99.01
O=C([O-])[C@@H]1CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C[C@H]1C1CC1	REAL300002950880	1	40	-2.0	-107.43	328.98	5.50	-101.93
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)=N2)=C1	REAL300002950938	0	51	-2.0	-121.31	412.13	9.75	-111.56
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)=N2)C=C1	REAL300002950939	0	51	-2.0	-121.89	407.52	9.76	-112.13
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=N1	REAL300002951029	0	45	-2.0	-109.15	366.29	8.48	-100.67
O=C([O-])[C@@H]1CN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C[C@H]1C1CC1	REAL300002951034	0	42	-2.0	-119.18	358.34	7.90	-111.28
O=C([O-])[C@@H]1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C[C@H]1C1CC1	REAL300002951065	1	40	-2.0	-119.33	326.51	9.03	-110.30
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)=N2)=C1	REAL300002951218	0	45	-2.0	-121.14	376.68	8.48	-112.66
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=N1	REAL300002951219	0	48	-2.0	-115.41	379.93	9.23	-106.18
CC1=C(CC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002951290	1	48	-2.0	-108.71	401.64	6.96	-101.75
O=C([O-])[C@@H]1CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C[C@H]1C1CC1	REAL300002951340	0	35	-2.0	-96.24	307.40	6.54	-89.70
COC1=C(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)NC(=O)[N-]C1=O	REAL300002951351	1	38	-2.0	-94.89	322.99	2.34	-92.55
O=C([O-])[C@@H]1CN(C(=O)C2=CC=C([O-])C(Cl)=C2)C[C@H]1C1CC1	REAL300002951476	0	35	-2.0	-88.47	308.09	6.68	-81.79
CCOC1=CC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=CC(Cl)=C1[O-]	REAL300002951479	1	42	-2.0	-101.28	352.25	7.51	-93.77
COC1=CC=C(N2C=C([O-])C(C(=O)N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)=N2)C=C1	REAL300002951491	0	46	-2.0	-121.41	376.81	7.13	-114.28
C[N-]S(=O)(=O)C1=CC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=CO1	REAL300002951514	1	39	-2.0	-100.03	341.75	1.94	-98.09
O=C([O-])[C@@H]1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@H]1C1CC1	REAL300002951671	0	38	-2.0	-92.62	321.98	5.51	-87.11
O=C([O-])[C@@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@H]1C1CC1	REAL300002951671	1	38	-2.0	-92.61	322.05	5.52	-87.09
COCC1=NC=C(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C(=O)[N-]1	REAL300002951990	1	40	-2.0	-107.22	331.44	3.06	-104.16
O=C([O-])[C@@H]1CN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C[C@H]1C1CC1	REAL300002952034	1	43	-2.0	-120.71	351.29	6.11	-114.60
O=C([O-])[C@@H]1CN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C[C@H]1C1CC1	REAL300002952332	0	35	-2.0	-96.06	325.86	8.39	-87.67
CC1=C(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300002952632	0	43	-2.0	-127.42	364.15	5.75	-121.67
CC1=C(CCC(=O)NC2=NN(CC(=O)[O-])C=C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300002953427	1	48	-2.0	-101.46	397.98	6.15	-95.31
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=NN(CC(=O)[O-])C=C2)=C1	REAL300002953787	1	38	-2.0	-102.48	340.12	3.96	-98.52
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=NN(CC(=O)[O-])C=C1	REAL300002954100	1	38	-2.0	-103.32	340.20	4.18	-99.14
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2=NN(CC(=O)[O-])C=C2)C=C1	REAL300002954149	1	40	-2.0	-105.25	362.57	9.11	-96.14
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=NN(CC(=O)[O-])C=C2)O1	REAL300002954599	1	41	-2.0	-97.00	365.94	2.44	-94.56
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=NN(CC(=O)[O-])C=C2)O1	REAL300002954600	1	32	-2.0	-96.30	311.17	-0.00	-96.30
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=NN(CC(=O)[O-])C=C2)=C1	REAL300002954833	0	42	-2.0	-110.85	375.13	2.17	-108.68
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=NN(CC(=O)[O-])C=C1	REAL300002954878	0	35	-2.0	-102.06	318.74	3.29	-98.77
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=NN(CC(=O)[O-])C=C2)=CS1	REAL300002955253	1	39	-2.0	-102.42	352.95	4.40	-98.02
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1=NN(CC(=O)[O-])C=C1	REAL300002955487	0	35	-2.0	-96.69	325.14	3.35	-93.34
CC1=C(CC(=O)NC2=NN(CC(=O)[O-])C=C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002955493	1	41	-2.0	-109.10	362.87	4.54	-104.56
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=NN(CC(=O)[O-])C=C1	REAL300002955498	1	41	-2.0	-103.81	361.70	4.97	-98.84
CC1=C(C(=O)NC2=NN(CC(=O)[O-])C=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300002955568	1	41	-2.0	-105.32	342.86	4.80	-100.52
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NC1=NN(CC(=O)[O-])C=C1	REAL300002956297	0	41	-2.0	-106.26	364.62	5.55	-100.71
O=C([O-])CN1C=CC(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])=N1	REAL300002956489	1	31	-2.0	-101.76	294.87	6.63	-95.13
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=NN(CC(=O)[O-])C=C2)C=N1	REAL300002956587	0	34	-2.0	-99.65	319.77	2.33	-97.32
O=C([O-])CN1C=CC(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)=N1	REAL300002956617	1	33	-2.0	-103.74	297.61	3.73	-100.01
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3=NN(CC(=O)[O-])C=C3)=N2)=C1	REAL300002956672	0	44	-2.0	-116.31	379.37	7.35	-108.96
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=NN(CC(=O)[O-])C=C3)=N2)C=C1	REAL300002956673	0	44	-2.0	-114.65	379.31	7.36	-107.29
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=NN(CC(=O)[O-])C=C2)=N1	REAL300002956747	0	38	-2.0	-110.52	341.43	6.43	-104.09
O=C([O-])CN1C=CC(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])=N1	REAL300002956751	0	35	-2.0	-111.94	325.52	5.50	-106.44
O=C([O-])CN1C=CC(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)=N1	REAL300002956775	0	33	-2.0	-114.98	298.69	6.28	-108.70
O=C([O-])CN1C=CC(NC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)=N1	REAL300002956794	0	35	-2.0	-87.98	341.01	3.61	-84.37
O=C([O-])CN1C=CC(NC(=O)C2=CN=C(I)C([O-])=C2)=N1	REAL300002956843	0	27	-2.0	-91.34	280.23	3.34	-88.00
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=NN(CC(=O)[O-])C=C3)=N2)=C1	REAL300002956905	0	38	-2.0	-118.44	343.87	6.08	-112.36
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=NN(CC(=O)[O-])C=C2)=N1	REAL300002956906	0	41	-2.0	-115.95	353.40	7.22	-108.73
CC1=C(CC(=O)NC2=NN(CC(=O)[O-])C=C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002956963	1	41	-2.0	-107.88	363.05	4.53	-103.35
O=C([O-])CN1C=CC(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)=N1	REAL300002957003	0	28	-2.0	-92.25	280.54	4.79	-87.46
CCOC1=CC(C(=O)NC2=NN(CC(=O)[O-])C=C2)=CC(Cl)=C1[O-]	REAL300002957115	1	35	-2.0	-96.76	325.38	5.77	-90.99
O=C([O-])CN1C=CC(NC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])=N1	REAL300002957119	0	38	-2.0	-120.84	349.02	6.86	-113.98
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=NN(CC(=O)[O-])C=C3)=N2)C=C1	REAL300002957127	0	39	-2.0	-114.71	348.60	4.73	-109.98
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=NN(CC(=O)[O-])C=C2)=CO1	REAL300002957148	1	32	-2.0	-95.99	310.32	-0.03	-96.02
O=C([O-])CN1C=CC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)=N1	REAL300002957218	0	36	-2.0	-103.13	322.75	8.65	-94.48
O=C([O-])CN1C=CC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)=N1	REAL300002957218	1	36	-2.0	-103.23	322.80	8.63	-94.60
O=C([O-])CN1C=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL300002957274	0	31	-2.0	-89.56	294.08	2.87	-86.69
O=C([O-])CN1C=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL300002957274	1	31	-2.0	-89.50	294.15	2.88	-86.62
COCC1=NC=C(C(=O)NC2=NN(CC(=O)[O-])C=C2)C(=O)[N-]1	REAL300002957540	1	33	-2.0	-102.68	299.46	1.39	-101.29
O=C([O-])CN1C=CC(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)=N1	REAL300002957577	1	36	-2.0	-103.79	313.37	4.28	-99.51
O=C([O-])CN1C=CC(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=N1	REAL300002957833	0	28	-2.0	-98.87	288.94	6.67	-92.20
CC1=C(C(=O)NC2=NN(CC(=O)[O-])C=C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300002958090	0	36	-2.0	-108.07	323.35	3.86	-104.21
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300002959310	1	38	-2.0	-96.21	350.91	5.21	-91.00
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300002959599	1	38	-2.0	-120.59	350.99	5.43	-115.16
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)O1	REAL300002960043	1	32	-2.0	-95.46	321.65	1.23	-94.23
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300002960298	0	35	-2.0	-118.78	329.52	4.53	-114.25
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)=CS1	REAL300002960636	1	39	-2.0	-122.54	363.41	5.65	-116.89
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300002960860	0	35	-2.0	-110.44	335.63	4.61	-105.83
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300002960865	1	41	-2.0	-121.16	372.49	6.22	-114.94
COC1=CC=C(C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)C([O-])=C1	REAL300002961444	1	32	-2.0	-103.84	296.36	6.23	-97.61
O=C([O-])C1=CC(NC(=O)C2=CC=C([O-])C(F)=C2)=CC=C1Cl	REAL300002961990	1	28	-2.0	-103.21	275.32	5.46	-97.75
O=C([O-])C1=CC(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])=CC=C1Cl	REAL300002962002	1	31	-2.0	-123.33	305.36	7.91	-115.42
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300002962110	0	34	-2.0	-104.42	330.27	3.57	-100.85
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3=CC=C(Cl)C(C(=O)[O-])=C3)=N2)=C1	REAL300002962203	0	44	-2.0	-131.73	389.86	8.61	-123.12
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(Cl)C(C(=O)[O-])=C3)=N2)C=C1	REAL300002962204	0	44	-2.0	-131.39	390.09	8.59	-122.80
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300002962298	0	38	-2.0	-103.78	357.11	7.73	-96.05
O=C([O-])C1=CC(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])=CC=C1Cl	REAL300002962303	0	35	-2.0	-129.43	336.29	6.74	-122.69
O=C([O-])C1=CC(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)=CC=C1Cl	REAL300002962344	0	33	-2.0	-132.25	309.47	7.54	-124.71
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC=C(Cl)C(C(=O)[O-])=C3)=N2)=C1	REAL300002962507	0	38	-2.0	-135.97	354.35	7.34	-128.63
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300002962508	0	41	-2.0	-108.02	364.02	8.48	-99.54
O=C([O-])C1=CC(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)=CC=C1Cl	REAL300002962647	0	28	-2.0	-100.95	291.08	6.02	-94.93
O=C([O-])C1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1Cl	REAL300002962763	0	31	-2.0	-115.76	293.98	4.32	-111.44
O=C([O-])C1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1Cl	REAL300002962763	1	31	-2.0	-115.83	294.04	4.34	-111.49
O=C([O-])C1=CC(NC(=O)C2=CC=C([O-])C(Cl)=C2)=CC=C1Cl	REAL300002962800	0	28	-2.0	-86.69	285.12	5.95	-80.74
CCOC1=CC(C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)=CC(Cl)=C1[O-]	REAL300002962804	1	35	-2.0	-104.45	335.92	7.00	-97.45
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(Cl)C(C(=O)[O-])=C3)=N2)C=C1	REAL300002962814	0	39	-2.0	-131.17	359.38	5.97	-125.20
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)=CO1	REAL300002962838	1	32	-2.0	-112.44	321.10	1.21	-111.23
O=C([O-])C1=CC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)=CC=C1Cl	REAL300002962930	0	36	-2.0	-94.69	333.30	9.91	-84.78
O=C([O-])C1=CC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)=CC=C1Cl	REAL300002962930	1	36	-2.0	-94.59	333.25	9.92	-84.67
O=C([O-])C1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=C1Cl	REAL300002963001	0	31	-2.0	-93.59	304.93	4.11	-89.48
O=C([O-])C1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC=C1Cl	REAL300002963001	1	31	-2.0	-93.62	304.87	4.10	-89.52
COCC1=NC=C(C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)C(=O)[N-]1	REAL300002963334	1	33	-2.0	-92.81	310.14	2.63	-90.18
O=C([O-])C1=CC(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=CC=C1Cl	REAL300002963701	0	28	-2.0	-118.21	299.74	7.95	-110.26
CC1=C(C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300002964008	1	36	-2.0	-103.51	333.58	5.11	-98.40
CC1=C(CCC(=O)N(CCC(=O)[O-])C(C)C)C(=O)NC(N2CCOCC2)=N1	REAL300002964634	0	53	-2.0	-102.82	413.78	7.62	-95.20
CC1=C(CCC(=O)N(CCC(=O)[O-])C(C)C)C(=O)[N-]C(N2CCOCC2)=N1	REAL300002964634	1	53	-2.0	-102.82	413.78	7.62	-95.20
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N(CCC(=O)[O-])C(C)C)C=C1	REAL300002965163	1	45	-2.0	-113.07	378.00	10.52	-102.55
CC(C)N(CCC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300002965309	1	47	-2.0	-99.99	386.46	6.96	-93.03
CC(C)N(CCC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300002965310	1	47	-2.0	-108.18	387.32	6.97	-101.21
CC1=CC(C(=O)N(CCC(=O)[O-])C(C)C)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300002965321	0	43	-2.0	-85.17	373.32	5.38	-79.79
CC(C)N(CCC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300002965504	0	44	-2.0	-105.41	378.47	5.97	-99.44
CC(C)N(CCC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300002965522	1	46	-2.0	-115.75	378.26	3.95	-111.80
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(CCC(=O)[O-])C(C)C)O1	REAL300002965523	1	37	-2.0	-113.85	322.81	1.55	-112.30
CC(C)N(CCC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300002965748	0	44	-2.0	-106.56	379.26	5.98	-100.58
CC(C)C(=O)[N-]C1=NC(CC(=O)N(CCC(=O)[O-])C(C)C)=CS1	REAL300002966000	1	44	-2.0	-109.87	368.73	5.87	-104.00
CC1=C(CC(=O)N(CCC(=O)[O-])C(C)C)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002966176	1	46	-2.0	-116.51	379.59	6.07	-110.44
CC(C)N(CCC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300002966306	1	47	-2.0	-97.43	386.56	6.96	-90.47
CC(C)N(CCC(=O)[O-])C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300002966840	1	36	-2.0	-97.70	303.33	7.49	-90.21
CC(C)N(CCC(=O)[O-])C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300002966908	0	39	-2.0	-96.12	326.99	2.84	-93.28
CC(C)N(CCC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300002966954	1	46	-2.0	-93.60	381.60	5.19	-88.41
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N(CCC(=O)[O-])C(C)C)=N2)=C1	REAL300002966968	0	49	-2.0	-123.21	388.39	9.11	-114.10
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N(CCC(=O)[O-])C(C)C)=N2)C=C1	REAL300002966969	0	49	-2.0	-119.02	387.72	9.07	-109.95
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(CCC(=O)[O-])C(C)C)=N1	REAL300002967015	0	43	-2.0	-116.33	363.76	7.56	-108.77
CC(C)N(CCC(=O)[O-])C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300002967019	0	40	-2.0	-111.56	333.89	7.21	-104.35
CC(C)N(CCC(=O)[O-])C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300002967035	1	38	-2.0	-113.69	309.53	8.74	-104.95
CC(C)N(CCC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300002967051	0	40	-2.0	-92.85	348.87	4.41	-88.44
CC(C)N(CCC(=O)[O-])C(=O)C1=CN=C(I)C([O-])=C1	REAL300002967083	0	32	-2.0	-96.85	287.39	3.84	-93.01
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N(CCC(=O)[O-])C(C)C)=N2)=C1	REAL300002967116	0	43	-2.0	-121.50	352.28	7.81	-113.69
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(CCC(=O)[O-])C(C)C)=N1	REAL300002967117	0	46	-2.0	-119.69	378.38	8.25	-111.44
CC1=C(CC(=O)N(CCC(=O)[O-])C(C)C)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002967145	1	46	-2.0	-115.07	378.86	6.02	-109.05
CC(C)N(CCC(=O)[O-])C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300002967172	0	33	-2.0	-99.09	287.88	5.68	-93.41
CCOC1=CC(C(=O)N(CCC(=O)[O-])C(C)C)=CC(Cl)=C1[O-]	REAL300002967232	1	40	-2.0	-97.25	331.67	6.53	-90.72
CC(C)N(CCC(=O)[O-])C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300002967235	0	43	-2.0	-125.14	346.57	7.90	-117.24
COC1=CC=C(N2C=C([O-])C(C(=O)N(CCC(=O)[O-])C(C)C)=N2)C=C1	REAL300002967239	0	44	-2.0	-118.67	355.52	6.46	-112.21
C[N-]S(=O)(=O)C1=CC(C(=O)N(CCC(=O)[O-])C(C)C)=CO1	REAL300002967249	1	37	-2.0	-91.59	320.57	1.33	-90.26
CC(C)N(CCC(=O)[O-])C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300002967344	0	36	-2.0	-95.45	305.10	5.23	-90.22
CC(C)N(CCC(=O)[O-])C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300002967344	1	36	-2.0	-95.42	305.17	5.23	-90.19
CC(C)N(CCC(=O)[O-])C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300002967547	1	41	-2.0	-105.77	335.31	5.29	-100.48
CC(C)N(CCC(=O)[O-])C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300002967710	0	33	-2.0	-108.73	297.41	7.49	-101.24
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)=C1	REAL300002969577	0	49	-2.0	-97.64	398.35	5.43	-92.21
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300002969886	0	49	-2.0	-98.18	398.24	5.61	-92.57
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C=C1	REAL300002969933	1	51	-2.0	-106.71	414.72	10.34	-96.37
CC(C)C[C@H](CNC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)CC(=O)[O-]	REAL300002970369	1	52	-2.0	-95.46	419.46	3.62	-91.84
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)O1	REAL300002970370	1	43	-2.0	-94.30	364.01	1.22	-93.08
CC(C)C[C@H](CNC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)CC(=O)[O-]	REAL300002970643	0	46	-2.0	-110.91	371.57	4.53	-106.38
CC(C)C[C@H](CNC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1)CC(=O)[O-]	REAL300002970994	1	50	-2.0	-97.08	411.14	5.86	-91.22
CC(C)C[C@H](CNC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)CC(=O)[O-]	REAL300002971232	0	46	-2.0	-92.46	383.37	4.81	-87.65
CC1=C(CC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002971235	1	52	-2.0	-104.90	421.08	6.01	-98.89
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300002971238	0	52	-2.0	-98.61	419.74	6.39	-92.22
CC1=C(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C(=O)[N-]C(C(C)(C)C)=N1	REAL300002971319	1	52	-2.0	-103.10	400.69	6.18	-96.92
CC(C)C[C@H](CNC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])CC(=O)[O-]	REAL300002972352	1	42	-2.0	-110.03	347.31	7.98	-102.05
CC(C)C[C@H](CNC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)CC(=O)[O-]	REAL300002972460	0	45	-2.0	-101.37	372.61	3.55	-97.82
CC(C)C[C@H](CNC(=O)C1=CN=C(C2CC2)[N-]C1=O)CC(=O)[O-]	REAL300002972494	1	44	-2.0	-101.49	354.97	5.18	-96.31
CC(C)C[C@H](CNC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-])CC(=O)[O-]	REAL300002972553	0	55	-2.0	-126.84	432.21	8.61	-118.23
CC(C)C[C@H](CNC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])CC(=O)[O-]	REAL300002972554	0	55	-2.0	-110.96	437.54	8.82	-102.14
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)=N1	REAL300002972645	0	49	-2.0	-121.18	399.81	7.75	-113.43
CC(C)C[C@H](CNC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])CC(=O)[O-]	REAL300002972650	0	46	-2.0	-122.81	378.36	6.76	-116.05
CC(C)C[C@H](CNC(=O)C1=C([O-])C2=CC=CC=C2C=N1)CC(=O)[O-]	REAL300002972682	1	44	-2.0	-126.58	351.52	7.63	-118.95
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)=N2)=C1	REAL300002972841	0	49	-2.0	-128.72	396.68	7.39	-121.33
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)=N1	REAL300002972842	0	52	-2.0	-126.07	418.67	8.51	-117.56
CC1=C(CC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002972913	1	52	-2.0	-121.62	415.88	5.77	-115.85
CC(C)C[C@H](CNC(=O)C1=CC(F)=C([O-])C(Cl)=C1)CC(=O)[O-]	REAL300002972965	0	39	-2.0	-94.61	333.36	6.06	-88.55
COC1=C(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)NC(=O)[N-]C1=O	REAL300002972978	1	42	-2.0	-97.14	339.21	1.14	-96.00
CC(C)C[C@H](CNC(=O)C1=CC=C([O-])C(Cl)=C1)CC(=O)[O-]	REAL300002973107	0	39	-2.0	-94.62	327.15	5.99	-88.63
CCOC1=CC(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)=CC(Cl)=C1[O-]	REAL300002973110	1	46	-2.0	-99.67	378.22	7.00	-92.67
COC1=CC=C(N2C=C([O-])C(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)=N2)C=C1	REAL300002973122	0	50	-2.0	-110.97	406.83	6.20	-104.77
C[N-]S(=O)(=O)C1=CC(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)=CO1	REAL300002973145	1	43	-2.0	-100.68	363.14	1.21	-99.47
CC(C)C[C@H](CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)CC(=O)[O-]	REAL300002973301	0	42	-2.0	-86.31	352.31	4.32	-81.99
CC(C)C[C@H](CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)CC(=O)[O-]	REAL300002973301	1	42	-2.0	-86.26	352.38	4.33	-81.93
COCC1=NC=C(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C(=O)[N-]1	REAL300002973618	1	44	-2.0	-99.74	357.07	2.77	-96.97
CC(C)C[C@H](CNC(=O)C1=CN=C(C2CCC2)[N-]C1=O)CC(=O)[O-]	REAL300002973662	1	47	-2.0	-101.63	371.42	5.70	-95.93
CC(C)C[C@H](CNC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])CC(=O)[O-]	REAL300002973964	0	39	-2.0	-108.86	341.78	8.05	-100.81
CC1=C(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300002974263	0	47	-2.0	-105.42	381.64	5.32	-100.10
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)=C1	REAL300002975172	0	49	-2.0	-97.64	398.35	5.43	-92.21
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300002975481	0	49	-2.0	-98.18	398.24	5.61	-92.57
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C=C1	REAL300002975528	1	51	-2.0	-106.71	414.72	10.34	-96.37
CC(C)C[C@H](CNC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)CC(=O)[O-]	REAL300002975964	1	52	-2.0	-95.46	419.46	3.62	-91.84
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)O1	REAL300002975965	1	43	-2.0	-94.30	364.01	1.22	-93.08
CC(C)C[C@H](CNC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)CC(=O)[O-]	REAL300002976238	0	46	-2.0	-110.91	371.57	4.53	-106.38
CC(C)C[C@H](CNC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1)CC(=O)[O-]	REAL300002976589	1	50	-2.0	-97.08	411.14	5.86	-91.22
CC(C)C[C@H](CNC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)CC(=O)[O-]	REAL300002976827	0	46	-2.0	-92.46	383.37	4.81	-87.65
CC1=C(CC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002976830	1	52	-2.0	-104.90	421.08	6.01	-98.89
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300002976833	0	52	-2.0	-98.61	419.74	6.39	-92.22
CC1=C(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C(=O)[N-]C(C(C)(C)C)=N1	REAL300002976914	1	52	-2.0	-103.10	400.69	6.18	-96.92
CC(C)C[C@H](CNC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])CC(=O)[O-]	REAL300002977947	1	42	-2.0	-110.03	347.31	7.98	-102.05
CC(C)C[C@H](CNC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)CC(=O)[O-]	REAL300002978055	0	45	-2.0	-101.37	372.61	3.55	-97.82
CC(C)C[C@H](CNC(=O)C1=CN=C(C2CC2)[N-]C1=O)CC(=O)[O-]	REAL300002978089	1	44	-2.0	-101.49	354.97	5.18	-96.31
CC(C)C[C@H](CNC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-])CC(=O)[O-]	REAL300002978148	0	55	-2.0	-126.84	432.21	8.61	-118.23
CC(C)C[C@H](CNC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])CC(=O)[O-]	REAL300002978149	0	55	-2.0	-110.96	437.54	8.82	-102.14
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)=N1	REAL300002978240	0	49	-2.0	-121.18	399.81	7.75	-113.43
CC(C)C[C@H](CNC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])CC(=O)[O-]	REAL300002978245	0	46	-2.0	-122.81	378.36	6.76	-116.05
CC(C)C[C@H](CNC(=O)C1=C([O-])C2=CC=CC=C2C=N1)CC(=O)[O-]	REAL300002978277	1	44	-2.0	-126.58	351.52	7.63	-118.95
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)=N2)=C1	REAL300002978436	0	49	-2.0	-128.72	396.68	7.39	-121.33
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)=N1	REAL300002978437	0	52	-2.0	-126.07	418.67	8.51	-117.56
CC1=C(CC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300002978508	1	52	-2.0	-121.62	415.88	5.77	-115.85
CC(C)C[C@H](CNC(=O)C1=CC(F)=C([O-])C(Cl)=C1)CC(=O)[O-]	REAL300002978560	0	39	-2.0	-94.61	333.36	6.06	-88.55
COC1=C(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)NC(=O)[N-]C1=O	REAL300002978573	1	42	-2.0	-97.14	339.21	1.14	-96.00
CC(C)C[C@H](CNC(=O)C1=CC=C([O-])C(Cl)=C1)CC(=O)[O-]	REAL300002978702	0	39	-2.0	-94.62	327.15	5.99	-88.63
CCOC1=CC(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)=CC(Cl)=C1[O-]	REAL300002978705	1	46	-2.0	-99.67	378.22	7.00	-92.67
COC1=CC=C(N2C=C([O-])C(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)=N2)C=C1	REAL300002978717	0	50	-2.0	-110.97	406.83	6.20	-104.77
C[N-]S(=O)(=O)C1=CC(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)=CO1	REAL300002978740	1	43	-2.0	-100.68	363.14	1.21	-99.47
CC(C)C[C@H](CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)CC(=O)[O-]	REAL300002978896	0	42	-2.0	-86.31	352.31	4.32	-81.99
CC(C)C[C@H](CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)CC(=O)[O-]	REAL300002978896	1	42	-2.0	-86.26	352.38	4.33	-81.93
COCC1=NC=C(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C(=O)[N-]1	REAL300002979213	1	44	-2.0	-99.74	357.07	2.77	-96.97
CC(C)C[C@H](CNC(=O)C1=CN=C(C2CCC2)[N-]C1=O)CC(=O)[O-]	REAL300002979257	1	47	-2.0	-101.63	371.42	5.70	-95.93
CC(C)C[C@H](CNC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])CC(=O)[O-]	REAL300002979559	0	39	-2.0	-108.86	341.78	8.05	-100.81
CC1=C(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300002979858	0	47	-2.0	-105.42	381.64	5.32	-100.10
CC1=C(CCC(=O)NCC(CC2CC2)C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300002981232	1	54	-2.0	-101.35	435.75	7.22	-94.13
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC(CC2CC2)C(=O)[O-])=C1	REAL300002981585	0	44	-2.0	-103.64	371.98	5.13	-98.51
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(CC1CC1)C(=O)[O-]	REAL300002981897	0	44	-2.0	-105.73	377.98	5.27	-100.46
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC(CC2CC2)C(=O)[O-])C=C1	REAL300002981947	1	46	-2.0	-103.57	399.97	10.18	-93.39
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(CC2CC2)C(=O)[O-])O1	REAL300002982399	1	47	-2.0	-102.02	403.58	3.47	-98.55
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(CC2CC2)C(=O)[O-])O1	REAL300002982400	1	38	-2.0	-100.93	348.13	1.06	-99.87
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC(CC2CC2)C(=O)[O-])=C1	REAL300002982631	0	48	-2.0	-112.93	406.96	3.35	-109.58
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(CC1CC1)C(=O)[O-]	REAL300002982677	0	41	-2.0	-103.43	352.33	4.47	-98.96
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC(CC2CC2)C(=O)[O-])=CS1	REAL300002983051	1	45	-2.0	-103.10	390.70	5.47	-97.63
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCC(CC1CC1)C(=O)[O-]	REAL300002983286	0	41	-2.0	-97.74	356.99	4.52	-93.22
CC1=C(CC(=O)NCC(CC2CC2)C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002983291	1	47	-2.0	-113.77	397.37	5.78	-107.99
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(CC1CC1)C(=O)[O-]	REAL300002983295	0	47	-2.0	-104.66	393.55	6.14	-98.52
CC1=C(C(=O)NCC(CC2CC2)C(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300002983366	1	47	-2.0	-113.99	380.87	5.84	-108.15
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NCC(CC1CC1)C(=O)[O-]	REAL300002984116	0	47	-2.0	-108.39	402.41	6.62	-101.77
O=C([O-])C(CNC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])CC1CC1	REAL300002984311	1	37	-2.0	-105.10	331.82	7.84	-97.26
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC(CC2CC2)C(=O)[O-])C=N1	REAL300002984410	0	40	-2.0	-103.97	356.73	3.39	-100.58
O=C([O-])C(CNC(=O)C1=CN=C(C2CC2)[N-]C1=O)CC1CC1	REAL300002984441	1	39	-2.0	-113.56	334.29	4.86	-108.70
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCC(CC3CC3)C(=O)[O-])=N2)=C1	REAL300002984495	0	50	-2.0	-123.68	417.17	8.44	-115.24
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC(CC3CC3)C(=O)[O-])=N2)C=C1	REAL300002984496	0	50	-2.0	-120.30	412.91	8.55	-111.75
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC(CC2CC2)C(=O)[O-])=N1	REAL300002984572	0	44	-2.0	-116.98	384.63	7.55	-109.43
O=C([O-])C(CNC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])CC1CC1	REAL300002984577	0	41	-2.0	-116.46	359.12	6.70	-109.76
O=C([O-])C(CNC(=O)C1=C([O-])C2=CC=CC=C2C=N1)CC1CC1	REAL300002984601	1	39	-2.0	-121.64	336.47	7.46	-114.18
O=C([O-])C(CNC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)CC1CC1	REAL300002984621	0	41	-2.0	-87.72	378.79	4.69	-83.03
O=C([O-])C(CNC(=O)C1=CN=C(I)C([O-])=C1)CC1CC1	REAL300002984670	0	33	-2.0	-90.42	310.81	4.62	-85.80
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C[C@H]1CN(C(=O)C2=CC=C(S(=O)(=O)[N-]C(C)(C)C)O2)C[C@@H](C(=O)[O-])O1	REAL300002998399	1	45	-2.0	-88.11	377.72	2.57	-85.54
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)O1	REAL300002998400	1	36	-2.0	-87.70	323.26	0.25	-87.45
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)=C1	REAL300002998631	0	46	-2.0	-113.61	388.67	1.91	-111.70
C[C@H]1CN(C(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)C[C@@H](C(=O)[O-])O1	REAL300002998677	0	39	-2.0	-102.95	335.39	3.04	-99.91
CC(C)C(=O)[N-]C1=NC(CC(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)=CS1	REAL300002999049	1	43	-2.0	-96.08	368.00	4.63	-91.45
C[C@H]1CN(C(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)C[C@@H](C(=O)[O-])O1	REAL300002999286	0	39	-2.0	-98.46	341.93	3.09	-95.37
CC1=C(CC(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300002999289	1	45	-2.0	-106.44	377.93	4.80	-101.64
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1	REAL300002999292	0	45	-2.0	-104.70	378.50	4.70	-100.00
CC1=C(C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300002999363	1	45	-2.0	-111.82	368.25	4.45	-107.37
C[C@H]1CN(C(=O)C2=CC3=CC=CC=C3C=C2[N-]S(C)(=O)=O)C[C@@H](C(=O)[O-])O1	REAL300003000127	0	45	-2.0	-110.95	380.71	5.27	-105.68
C[C@H]1CN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C[C@@H](C(=O)[O-])O1	REAL300003000321	1	35	-2.0	-100.70	311.58	5.51	-95.19
C[C@H]1CN(C(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C[C@@H](C(=O)[O-])O1	REAL300003000422	0	38	-2.0	-99.76	333.78	2.19	-97.57
C[C@H]1CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C[C@@H](C(=O)[O-])O1	REAL300003000452	1	37	-2.0	-108.20	318.80	3.50	-104.70
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3C[C@H](C)O[C@H](C(=O)[O-])C3)=N2)=C1	REAL300003000506	0	48	-2.0	-118.54	391.52	7.86	-110.68
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3C[C@H](C)O[C@H](C(=O)[O-])C3)=N2)C=C1	REAL300003000507	0	48	-2.0	-117.91	391.19	7.84	-110.07
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)=N1	REAL300003000585	0	42	-2.0	-116.23	364.06	6.29	-109.94
C[C@H]1CN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C[C@@H](C(=O)[O-])O1	REAL300003000590	0	39	-2.0	-116.44	337.41	5.98	-110.46
C[C@H]1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C[C@@H](C(=O)[O-])O1	REAL300003000616	1	37	-2.0	-120.10	313.19	6.57	-113.53
C[C@H]1CN(C(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)C[C@@H](C(=O)[O-])O1	REAL300003000636	0	39	-2.0	-93.86	356.09	3.49	-90.37
C[C@H]1CN(C(=O)C2=CN=C(I)C([O-])=C2)C[C@@H](C(=O)[O-])O1	REAL300003000685	0	31	-2.0	-93.29	295.14	3.13	-90.16
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3C[C@H](C)O[C@H](C(=O)[O-])C3)=N2)=C1	REAL300003000750	0	42	-2.0	-122.31	355.91	6.56	-115.75
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)=N1	REAL300003000751	0	45	-2.0	-120.65	377.68	7.03	-113.62
CC1=C(CC(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003000811	1	45	-2.0	-104.92	378.10	4.79	-100.13
C[C@H]1CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C[C@@H](C(=O)[O-])O1	REAL300003000856	0	32	-2.0	-95.93	295.67	4.66	-91.27
COC1=C(C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)NC(=O)[N-]C1=O	REAL300003000864	1	35	-2.0	-99.88	308.00	-1.38	-101.26
CCOC1=CC(C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300003000970	1	39	-2.0	-93.61	340.56	5.65	-87.96
C[C@H]1CN(C(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])C[C@@H](C(=O)[O-])O1	REAL300003000974	0	42	-2.0	-125.33	366.24	6.73	-118.60
COC1=CC=C(N2C=C([O-])C(C(=O)N3C[C@H](C)O[C@H](C(=O)[O-])C3)=N2)C=C1	REAL300003000982	0	43	-2.0	-117.96	360.48	5.22	-112.74
C[N-]S(=O)(=O)C1=CC(C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)=CO1	REAL300003001002	1	36	-2.0	-102.99	322.73	-0.08	-103.07
C[C@H]1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@@H](C(=O)[O-])O1	REAL300003001133	0	35	-2.0	-92.90	306.16	3.57	-89.33
C[C@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@@H](C(=O)[O-])O1	REAL300003001133	1	35	-2.0	-92.82	306.22	3.59	-89.23
COCC1=NC=C(C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)C(=O)[N-]1	REAL300003001410	1	37	-2.0	-106.72	320.64	1.15	-105.57
C[C@H]1CN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C[C@@H](C(=O)[O-])O1	REAL300003001451	1	40	-2.0	-108.26	334.55	4.05	-104.21
C[C@H]1CN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C[C@@H](C(=O)[O-])O1	REAL300003001711	0	32	-2.0	-98.25	305.68	5.55	-92.70
CC1=C(C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300003001971	0	40	-2.0	-114.96	348.56	3.52	-111.44
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)O1	REAL300003004519	1	42	-2.0	-103.37	372.26	3.73	-99.64
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300003004711	0	45	-2.0	-102.36	382.53	6.55	-95.81
CC1=C(C(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300003005263	1	51	-2.0	-109.40	415.87	8.52	-100.88
O=C([O-])[C@@H]1CN(C(=O)C2=CC=C([O-])C(F)=C2)C[C@H]1C1=CC=CC=C1	REAL300003006264	1	38	-2.0	-93.84	323.35	7.45	-86.39
O=C([O-])[C@@H]1CN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C[C@H]1C1=CC=CC=C1	REAL300003006277	1	41	-2.0	-106.08	353.68	9.99	-96.09
O=C([O-])[C@@H]1CN(C(=O)CCC2=N[N-]N=N2)C[C@H]1C1=CC=CC=C1	REAL300003006331	0	38	-2.0	-90.52	325.70	5.99	-84.53
O=C([O-])[C@@H]1CN(C(=O)CCC2=NN=N[N-]2)C[C@H]1C1=CC=CC=C1	REAL300003006331	1	38	-2.0	-90.52	325.76	6.00	-84.52
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)C=N1	REAL300003006412	0	44	-2.0	-109.79	377.44	5.55	-104.24
O=C([O-])[C@@H]1CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C[C@H]1C1=CC=CC=C1	REAL300003006443	1	43	-2.0	-103.32	362.20	7.07	-96.25
O=C([O-])[C@@H]1CN(C(=O)C2=CN=CC([O-])=C2)C[C@H]1C1=CC=CC=C1	REAL300003006483	1	37	-2.0	-101.25	313.03	5.59	-95.66
O=C([O-])[C@@H]1CN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C[C@H]1C1=CC=CC=C1	REAL300003006598	0	45	-2.0	-118.60	386.70	9.49	-109.11
O=C([O-])[C@@H]1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C[C@H]1C1=CC=CC=C1	REAL300003006644	1	43	-2.0	-118.14	358.72	10.50	-107.64
O=C([O-])[C@@H]1CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C[C@H]1C1=CC=CC=C1	REAL300003006931	0	38	-2.0	-93.46	342.79	8.13	-85.33
COC1=C(C(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)NC(=O)[N-]C1=O	REAL300003006949	1	41	-2.0	-99.57	345.18	3.69	-95.88
O=C([O-])[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@H]1C1=CC=CC=C1	REAL300003007047	0	41	-2.0	-93.07	347.23	6.80	-86.27
O=C([O-])[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@H]1C1=CC=CC=C1	REAL300003007047	1	41	-2.0	-93.07	347.29	6.81	-86.26
O=C([O-])[C@@H]1CN(C(=O)C2=CC=C([O-])C(Cl)=C2)C[C@H]1C1=CC=CC=C1	REAL300003007083	0	38	-2.0	-91.19	333.15	7.95	-83.24
CCOC1=CC(C(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300003007087	1	45	-2.0	-95.52	384.20	8.97	-86.55
C[N-]S(=O)(=O)C1=CC(C(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=CO1	REAL300003007120	1	42	-2.0	-93.38	369.88	3.44	-89.94
O=C([O-])[C@@H]1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@H]1C1=CC=CC=C1	REAL300003007283	0	41	-2.0	-86.08	355.37	7.06	-79.02
O=C([O-])[C@@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@H]1C1=CC=CC=C1	REAL300003007283	1	41	-2.0	-86.10	355.43	7.06	-79.04
O=C([O-])[C@@H]1CN(C(=O)C2=C[N-]N=CC2=O)C[C@H]1C1=CC=CC=C1	REAL300003007565	0	36	-2.0	-95.18	316.65	6.15	-89.03
COCC1=NC=C(C(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)C(=O)[N-]1	REAL300003007599	1	43	-2.0	-102.18	364.05	4.72	-97.46
O=C([O-])[C@@H]1CN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C[C@H]1C1=CC=CC=C1	REAL300003007647	1	46	-2.0	-106.42	383.58	7.58	-98.84
O=C([O-])[C@@H]1CN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C[C@H]1C1=CC=CC=C1	REAL300003007952	0	38	-2.0	-102.05	348.50	10.11	-91.94
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N(CC(=O)[O-])C2CCOCC2)C=C1	REAL300003012470	1	47	-2.0	-122.55	388.43	9.54	-113.01
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N(CC(=O)[O-])C2CCOCC2)O1	REAL300003012827	1	48	-2.0	-113.03	390.16	3.37	-109.66
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(CC(=O)[O-])C2CCOCC2)O1	REAL300003012828	1	39	-2.0	-109.24	336.92	0.82	-108.42
CC(C)C(=O)[N-]C1=NC(CC(=O)N(CC(=O)[O-])C2CCOCC2)=CS1	REAL300003013315	1	46	-2.0	-100.91	381.20	5.17	-95.74
CC1=C(CC(=O)N(CC(=O)[O-])C2CCOCC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003013511	1	48	-2.0	-107.62	390.01	5.07	-102.55
O=C([O-])CN(C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1CCOCC1	REAL300003014388	1	38	-2.0	-118.43	309.55	6.34	-112.09
CS(=O)(=O)[N-]C1=CC=C(C(=O)N(CC(=O)[O-])C2CCOCC2)C=N1	REAL300003014474	0	41	-2.0	-113.09	343.59	2.59	-110.50
O=C([O-])CN(C(=O)C1=CN=C(C2CC2)[N-]C1=O)C1CCOCC1	REAL300003014496	1	40	-2.0	-125.63	331.02	4.00	-121.63
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N(CC(=O)[O-])C3CCOCC3)=N2)=C1	REAL300003014548	0	51	-2.0	-136.35	405.05	8.41	-127.94
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N(CC(=O)[O-])C3CCOCC3)=N2)C=C1	REAL300003014549	0	51	-2.0	-131.91	404.69	8.42	-123.49
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(CC(=O)[O-])C2CCOCC2)=N1	REAL300003014611	0	45	-2.0	-126.97	369.42	7.16	-119.81
O=C([O-])CN(C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1CCOCC1	REAL300003014616	0	42	-2.0	-128.10	351.20	6.55	-121.55
O=C([O-])CN(C(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1CCOCC1	REAL300003014641	1	40	-2.0	-126.81	322.75	7.81	-119.00
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N(CC(=O)[O-])C3CCOCC3)=N2)=C1	REAL300003014771	0	45	-2.0	-134.87	366.98	7.15	-127.72
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(CC(=O)[O-])C2CCOCC2)=N1	REAL300003014772	0	48	-2.0	-133.99	382.95	8.11	-125.88
CC1=C(CC(=O)N(CC(=O)[O-])C2CCOCC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003014822	1	48	-2.0	-105.61	389.28	5.02	-100.59
O=C([O-])CN(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1CCOCC1	REAL300003014867	0	35	-2.0	-97.06	304.47	5.12	-91.94
COC1=C(C(=O)N(CC(=O)[O-])C2CCOCC2)NC(=O)[N-]C1=O	REAL300003014874	1	38	-2.0	-102.03	319.91	-0.89	-102.92
O=C([O-])CN(C(=O)C1=CC=C([O-])C(Cl)=C1)C1CCOCC1	REAL300003014968	0	35	-2.0	-103.09	288.71	4.72	-98.37
CCOC1=CC(C(=O)N(CC(=O)[O-])C2CCOCC2)=CC(Cl)=C1[O-]	REAL300003014971	1	42	-2.0	-104.63	349.31	6.10	-98.53
COC1=CC=C(N2C=C([O-])C(C(=O)N(CC(=O)[O-])C3CCOCC3)=N2)C=C1	REAL300003014979	0	46	-2.0	-131.14	373.97	5.81	-125.33
C[N-]S(=O)(=O)C1=CC(C(=O)N(CC(=O)[O-])C2CCOCC2)=CO1	REAL300003014993	1	39	-2.0	-107.48	332.24	0.41	-107.07
O=C([O-])CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCOCC1	REAL300003015120	0	38	-2.0	-96.46	318.79	4.43	-92.03
O=C([O-])CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCOCC1	REAL300003015120	1	38	-2.0	-96.46	318.85	4.43	-92.03
COCC1=NC=C(C(=O)N(CC(=O)[O-])C2CCOCC2)C(=O)[N-]1	REAL300003015362	1	40	-2.0	-104.36	323.52	2.20	-102.16
O=C([O-])CN(C(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1CCOCC1	REAL300003015399	1	43	-2.0	-126.12	346.77	4.55	-121.57
O=C([O-])CN(C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CCOCC1	REAL300003015630	0	35	-2.0	-117.84	304.71	6.89	-110.95
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N(CC(=O)[O-])C2CCCCC2)C=C1	REAL300003016939	1	49	-2.0	-105.30	395.80	11.90	-93.40
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N(CC(=O)[O-])C2CCCCC2)O1	REAL300003017300	1	50	-2.0	-114.22	399.08	5.73	-108.49
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(CC(=O)[O-])C2CCCCC2)O1	REAL300003017301	1	41	-2.0	-112.43	345.46	3.19	-109.24
CC(C)C(=O)[N-]C1=NC(CC(=O)N(CC(=O)[O-])C2CCCCC2)=CS1	REAL300003017788	1	48	-2.0	-101.11	390.18	7.56	-93.55
CC1=C(CC(=O)N(CC(=O)[O-])C2CCCCC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003017986	1	50	-2.0	-110.17	398.21	7.44	-102.73
O=C([O-])CN(C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1CCCCC1	REAL300003018866	1	40	-2.0	-121.59	333.99	8.23	-113.36
CS(=O)(=O)[N-]C1=CC=C(C(=O)N(CC(=O)[O-])C2CCCCC2)C=N1	REAL300003018951	0	43	-2.0	-114.51	352.59	4.97	-109.54
O=C([O-])CN(C(=O)C1=CN=C(C2CC2)[N-]C1=O)C1CCCCC1	REAL300003018972	1	42	-2.0	-127.03	340.00	6.39	-120.64
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N(CC(=O)[O-])C3CCCCC3)=N2)=C1	REAL300003019024	0	53	-2.0	-136.88	413.62	10.80	-126.08
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N(CC(=O)[O-])C3CCCCC3)=N2)C=C1	REAL300003019025	0	53	-2.0	-132.93	413.61	10.80	-122.13
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(CC(=O)[O-])C2CCCCC2)=N1	REAL300003019087	0	47	-2.0	-128.61	379.25	9.52	-119.09
O=C([O-])CN(C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1CCCCC1	REAL300003019092	0	44	-2.0	-133.17	359.84	8.94	-124.23
O=C([O-])CN(C(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1CCCCC1	REAL300003019116	1	42	-2.0	-129.48	332.34	10.15	-119.33
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N(CC(=O)[O-])C3CCCCC3)=N2)=C1	REAL300003019242	0	47	-2.0	-137.10	378.16	9.52	-127.58
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(CC(=O)[O-])C2CCCCC2)=N1	REAL300003019243	0	50	-2.0	-131.36	373.90	10.15	-121.21
CC1=C(CC(=O)N(CC(=O)[O-])C2CCCCC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003019293	1	50	-2.0	-107.94	398.39	7.44	-100.50
O=C([O-])CN(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1CCCCC1	REAL300003019337	0	37	-2.0	-100.86	312.94	7.46	-93.40
COC1=C(C(=O)N(CC(=O)[O-])C2CCCCC2)NC(=O)[N-]C1=O	REAL300003019344	1	40	-2.0	-103.07	328.70	1.53	-101.54
O=C([O-])CN(C(=O)C1=CC=C([O-])C(Cl)=C1)C1CCCCC1	REAL300003019437	0	37	-2.0	-101.23	292.62	6.58	-94.65
CCOC1=CC(C(=O)N(CC(=O)[O-])C2CCCCC2)=CC(Cl)=C1[O-]	REAL300003019440	1	44	-2.0	-106.02	357.78	8.45	-97.57
COC1=CC=C(N2C=C([O-])C(C(=O)N(CC(=O)[O-])C3CCCCC3)=N2)C=C1	REAL300003019448	0	48	-2.0	-132.17	382.90	8.18	-123.99
C[N-]S(=O)(=O)C1=CC(C(=O)N(CC(=O)[O-])C2CCCCC2)=CO1	REAL300003019462	1	41	-2.0	-107.80	339.31	2.72	-105.08
O=C([O-])CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCCC1	REAL300003019589	0	40	-2.0	-97.40	327.74	6.79	-90.61
O=C([O-])CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCCC1	REAL300003019589	1	40	-2.0	-97.38	327.81	6.81	-90.57
COCC1=NC=C(C(=O)N(CC(=O)[O-])C2CCCCC2)C(=O)[N-]1	REAL300003019835	1	42	-2.0	-124.55	341.84	4.04	-120.51
O=C([O-])CN(C(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1CCCCC1	REAL300003019872	1	45	-2.0	-127.46	355.76	6.93	-120.53
O=C([O-])CN(C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CCCCC1	REAL300003020099	0	37	-2.0	-116.87	328.03	8.31	-108.56
CC1=C(CCC(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300003020795	1	49	-2.0	-110.23	395.58	4.84	-105.39
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1	REAL300003021324	1	41	-2.0	-102.76	360.18	7.80	-94.96
O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300003021470	1	43	-2.0	-109.47	376.90	4.89	-104.58
O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300003021471	1	43	-2.0	-103.56	375.08	5.03	-98.53
CC1=CC(C(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300003021482	0	39	-2.0	-91.53	359.50	2.98	-88.55
O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300003021665	0	40	-2.0	-106.48	369.99	3.81	-102.67
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H]2CCO[C@H]2C(=O)[O-])O1	REAL300003021683	1	42	-2.0	-106.36	360.46	1.38	-104.98
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H]2CCO[C@H]2C(=O)[O-])O1	REAL300003021684	1	33	-2.0	-103.35	309.92	-1.42	-104.77
O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300003021909	0	40	-2.0	-102.82	370.14	3.77	-99.05
CC(C)C(=O)[N-]C1=NC(CC(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=CS1	REAL300003022161	1	40	-2.0	-98.20	350.57	3.08	-95.12
CC1=C(CC(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003022337	1	42	-2.0	-106.09	361.41	3.29	-102.80
O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300003022467	1	43	-2.0	-97.02	378.20	4.77	-92.25
O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300003023001	1	32	-2.0	-104.76	292.56	5.45	-99.31
CS(=O)(=O)[N-]C1=CC=C(C(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=N1	REAL300003023069	0	35	-2.0	-106.44	317.40	1.02	-105.42
O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300003023115	1	42	-2.0	-93.72	372.18	3.10	-90.62
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N[C@H]3CCO[C@H]3C(=O)[O-])=N2)=C1	REAL300003023129	0	45	-2.0	-126.17	378.07	5.97	-120.20
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N[C@H]3CCO[C@H]3C(=O)[O-])=N2)C=C1	REAL300003023130	0	45	-2.0	-123.82	376.92	6.04	-117.78
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=N1	REAL300003023176	0	39	-2.0	-118.51	345.61	5.07	-113.44
O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300003023180	0	36	-2.0	-123.71	324.27	4.12	-119.59
O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300003023196	1	34	-2.0	-122.98	297.43	4.97	-118.01
O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300003023212	0	36	-2.0	-88.04	339.75	2.20	-85.84
O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)C1=CN=C(I)C([O-])=C1	REAL300003023244	0	28	-2.0	-92.51	275.86	2.20	-90.31
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@H]3CCO[C@H]3C(=O)[O-])=N2)=C1	REAL300003023277	0	39	-2.0	-128.25	341.57	4.80	-123.45
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=N1	REAL300003023278	0	42	-2.0	-125.65	359.09	5.78	-119.87
CC1=C(CC(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003023306	1	42	-2.0	-104.15	360.67	3.25	-100.90
O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300003023333	0	29	-2.0	-94.82	279.29	3.37	-91.45
CCOC1=CC(C(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300003023393	1	36	-2.0	-101.01	323.08	4.46	-96.55
O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300003023396	0	39	-2.0	-131.12	347.76	5.48	-125.64
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@H]3CCO[C@H]3C(=O)[O-])=N2)C=C1	REAL300003023400	0	40	-2.0	-123.45	346.21	3.43	-120.02
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=CO1	REAL300003023410	1	33	-2.0	-91.63	305.93	-1.18	-92.81
O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300003023505	0	32	-2.0	-92.02	292.83	1.46	-90.56
O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300003023505	1	32	-2.0	-91.98	292.90	1.46	-90.52
O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300003023708	1	37	-2.0	-118.36	310.92	2.97	-115.39
O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300003023871	0	29	-2.0	-102.06	287.69	5.40	-96.66
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=CC(OC)=C2)O1	REAL300003025346	1	39	-2.0	-102.00	361.52	0.65	-101.35
COC1=CC=CC(C(NC(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)C(=O)[O-])=C1	REAL300003025791	1	46	-2.0	-118.24	403.25	5.06	-113.18
COC1=CC=CC(C(NC(=O)C2=CC=C([O-])C(F)=C2)C(=O)[O-])=C1	REAL300003026874	1	35	-2.0	-105.92	315.26	4.93	-100.99
COC1=CC=CC(C(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C(=O)[O-])=C1	REAL300003026885	1	38	-2.0	-126.02	345.22	7.43	-118.59
COC1=CC=CC(C(NC(=O)CCC2=N[N-]N=N2)C(=O)[O-])=C1	REAL300003026919	0	35	-2.0	-102.43	312.74	2.98	-99.45
COC1=CC=CC(C(NC(=O)CCC2=NN=N[N-]2)C(=O)[O-])=C1	REAL300003026919	1	35	-2.0	-102.44	312.79	2.99	-99.45
COC1=CC=CC(C(NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C(=O)[O-])=C1	REAL300003026989	0	41	-2.0	-110.10	370.72	2.95	-107.15
COC1=CC=CC(C(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)C(=O)[O-])=C1	REAL300003027014	1	40	-2.0	-118.89	348.01	4.38	-114.51
COC1=CC=CC(C(NC(=O)C2=CN=CC([O-])=C2)C(=O)[O-])=C1	REAL300003027051	1	34	-2.0	-110.24	304.10	3.03	-107.21
COC1=CC=CC(C(NC(=O)C2=NN(C3=CC=C(F)C=C3C)C=C2[O-])C(=O)[O-])=C1	REAL300003027132	0	45	-2.0	-135.86	397.56	7.17	-128.69
COC1=CC=CC(C(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C(=O)[O-])=C1	REAL300003027137	0	42	-2.0	-136.83	376.49	6.13	-130.70
COC1=CC=CC(C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C(=O)[O-])=C1	REAL300003027168	1	40	-2.0	-142.89	349.43	7.07	-135.82
COC1=CC=CC(C(NC(=O)C2=NN(C3=CC(C)=CC=C3F)C=C2[O-])C(=O)[O-])=C1	REAL300003027307	0	45	-2.0	-144.41	394.59	6.79	-137.62
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(C(=O)[O-])C2=CC=CC(OC)=C2)=N1	REAL300003027308	0	48	-2.0	-142.90	404.11	7.93	-134.97
COC1=CC=CC(C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C(=O)[O-])=C1	REAL300003027419	0	35	-2.0	-103.25	331.49	5.41	-97.84
COC1=CC=CC(C(NC(=O)C2=C(OC)C(=O)[N-]C(=O)N2)C(=O)[O-])=C1	REAL300003027431	1	38	-2.0	-103.37	337.24	0.54	-102.83
COC1=CC=CC(C(NC(=O)CCCC2=N[N-]N=N2)C(=O)[O-])=C1	REAL300003027509	0	38	-2.0	-111.03	334.24	3.76	-107.27
COC1=CC=CC(C(NC(=O)CCCC2=NN=N[N-]2)C(=O)[O-])=C1	REAL300003027509	1	38	-2.0	-111.02	334.29	3.77	-107.25
COC1=CC=CC(C(NC(=O)C2=CC=C([O-])C(Cl)=C2)C(=O)[O-])=C1	REAL300003027541	0	35	-2.0	-103.98	325.30	5.36	-98.62
CCOC1=CC(C(=O)NC(C(=O)[O-])C2=CC=CC(OC)=C2)=CC(Cl)=C1[O-]	REAL300003027545	1	42	-2.0	-108.38	376.33	6.38	-102.00
COC1=CC=C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3=CC=CC(OC)=C3)=N2)C=C1	REAL300003027551	0	46	-2.0	-139.34	399.34	5.44	-133.90
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C(=O)[O-])C2=CC=CC(OC)=C2)=CO1	REAL300003027567	1	39	-2.0	-108.62	361.03	0.66	-107.96
COC1=CC=CC(C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(=O)[O-])=C1	REAL300003027708	0	38	-2.0	-96.59	345.07	3.48	-93.11
COC1=CC=CC(C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(=O)[O-])=C1	REAL300003027708	1	38	-2.0	-96.54	345.14	3.48	-93.06
COC1=CC=CC(C(NC(=O)C2=C[N-]N=CC2=O)C(=O)[O-])=C1	REAL300003027946	0	33	-2.0	-108.48	296.58	3.39	-105.09
COCC1=NC=C(C(=O)NC(C(=O)[O-])C2=CC=CC(OC)=C2)C(=O)[N-]1	REAL300003027970	1	40	-2.0	-118.29	350.50	2.00	-116.29
COC1=CC=CC(C(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C(=O)[O-])=C1	REAL300003028013	1	43	-2.0	-119.51	364.36	4.91	-114.60
COC1=CC=CC(C(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C(=O)[O-])=C1	REAL300003028260	0	35	-2.0	-121.92	339.64	7.49	-114.43
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)C=C1	REAL300003030353	1	49	-2.0	-138.21	390.58	11.14	-127.07
C[C@H]1CC[C@@](NC(=O)C2=CC=C(S(=O)(=O)[N-]C(C)(C)C)O2)(C(=O)[O-])CC1	REAL300003030714	1	50	-2.0	-100.48	393.41	4.60	-95.88
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)O1	REAL300003030715	1	41	-2.0	-99.06	339.79	2.06	-97.00
CC(C)C(=O)[N-]C1=NC(CC(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)=CS1	REAL300003031202	1	48	-2.0	-119.45	381.57	6.40	-113.05
CC1=C(CC(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003031400	1	50	-2.0	-123.80	391.50	6.58	-117.22
C[C@H]1CC[C@@](NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])(C(=O)[O-])CC1	REAL300003032280	1	40	-2.0	-128.70	323.48	8.36	-120.34
C[C@H]1CC[C@@](NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)(C(=O)[O-])CC1	REAL300003032365	0	43	-2.0	-108.55	348.40	4.39	-104.16
C[C@H]1CC[C@@](NC(=O)C2=CN=C(C3CC3)[N-]C2=O)(C(=O)[O-])CC1	REAL300003032386	1	42	-2.0	-114.54	326.27	5.73	-108.81
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N[C@]3(C(=O)[O-])CC[C@@H](C)CC3)=N2)=C1	REAL300003032438	0	53	-2.0	-142.63	407.95	9.45	-133.18
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N[C@]3(C(=O)[O-])CC[C@@H](C)CC3)=N2)C=C1	REAL300003032439	0	53	-2.0	-141.41	407.93	9.45	-131.96
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)=N1	REAL300003032501	0	47	-2.0	-137.17	370.06	8.52	-128.65
C[C@H]1CC[C@@](NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])(C(=O)[O-])CC1	REAL300003032506	0	44	-2.0	-139.50	354.14	7.59	-131.91
C[C@H]1CC[C@@](NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)(C(=O)[O-])CC1	REAL300003032530	1	42	-2.0	-143.22	327.31	7.98	-135.24
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@@]3(C(=O)[O-])CC[C@H](C)CC3)=N2)=C1	REAL300003032656	0	47	-2.0	-146.51	372.48	8.18	-138.33
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)=N1	REAL300003032657	0	50	-2.0	-144.95	388.94	9.28	-135.67
CC1=C(CC(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003032707	1	50	-2.0	-121.65	391.67	6.56	-115.09
C[C@H]1CC[C@@](NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)(C(=O)[O-])CC1	REAL300003032751	0	37	-2.0	-103.55	309.16	6.84	-96.71
COC1=C(C(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)NC(=O)[N-]C1=O	REAL300003032758	1	40	-2.0	-102.74	315.31	1.46	-101.28
C[C@H]1CC[C@@](NC(=O)C2=CC=C([O-])C(Cl)=C2)(C(=O)[O-])CC1	REAL300003032851	0	37	-2.0	-103.73	302.96	6.79	-96.94
CCOC1=CC(C(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)=CC(Cl)=C1[O-]	REAL300003032854	1	44	-2.0	-108.14	354.01	7.81	-100.33
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@]3(C(=O)[O-])CC[C@@H](C)CC3)=N2)C=C1	REAL300003032862	0	48	-2.0	-140.89	377.22	6.82	-134.07
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)=CO1	REAL300003032876	1	41	-2.0	-110.18	338.94	2.04	-108.14
C[C@H]1CC[C@@](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)(C(=O)[O-])CC1	REAL300003033003	0	40	-2.0	-94.86	322.70	4.92	-89.94
C[C@H]1CC[C@@](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)(C(=O)[O-])CC1	REAL300003033003	1	40	-2.0	-94.85	322.77	4.92	-89.93
COCC1=NC=C(C(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)C(=O)[N-]1	REAL300003033249	1	42	-2.0	-115.02	328.21	3.40	-111.62
C[C@H]1CC[C@@](NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)(C(=O)[O-])CC1	REAL300003033286	1	45	-2.0	-114.72	342.03	6.27	-108.45
C[C@H]1CC[C@@](NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])(C(=O)[O-])CC1	REAL300003033513	0	37	-2.0	-123.78	317.56	8.40	-115.38
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2=CC(C)=CC=C2[N-]S(C)(=O)=O)=N1	REAL300003034569	1	47	-2.0	-96.90	399.89	5.96	-90.94
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2=CC=CC=C2[N-]S(=O)(=O)CC)=N1	REAL300003034824	1	47	-2.0	-97.90	399.96	6.18	-91.72
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2=CC=C(S(=O)(=O)[N-]C)O2)=N1	REAL300003035220	1	41	-2.0	-85.25	370.96	1.74	-83.51
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)=N1	REAL300003035450	0	44	-2.0	-96.51	378.50	5.28	-91.23
CCCC(C(=O)[O-])N1C=CC(NC(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)=N1	REAL300003035769	1	48	-2.0	-98.28	408.47	6.01	-92.27
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)=N1	REAL300003035974	0	44	-2.0	-90.29	384.91	5.35	-84.94
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2=C(C)N=C(C(C)(C)C)[N-]C2=O)=N1	REAL300003036063	1	50	-2.0	-91.84	402.56	6.77	-85.07
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2=CC=C(OC)C=C2[O-])=N1	REAL300003036549	1	41	-2.0	-105.76	345.35	6.96	-98.80
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2=CC=C([O-])C(F)=C2)=N1	REAL300003037104	1	37	-2.0	-88.53	324.31	6.24	-82.29
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])=N1	REAL300003037117	1	40	-2.0	-97.08	354.65	8.39	-88.69
CCCC(C(=O)[O-])N1C=CC(NC(=O)CCC2=N[N-]N=N2)=N1	REAL300003037158	0	37	-2.0	-85.47	321.55	4.04	-81.43
CCCC(C(=O)[O-])N1C=CC(NC(=O)CCC2=NN=N[N-]2)=N1	REAL300003037158	1	37	-2.0	-85.46	321.61	4.06	-81.40
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)=N1	REAL300003037245	0	43	-2.0	-89.13	375.30	3.93	-85.20
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)=N1	REAL300003037280	1	42	-2.0	-91.37	357.15	5.54	-85.83
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2=CN=CC([O-])=C2)=N1	REAL300003037322	1	36	-2.0	-89.10	313.17	4.10	-85.00
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])=N1	REAL300003037436	0	44	-2.0	-105.53	385.31	7.25	-98.28
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)=N1	REAL300003037482	0	42	-2.0	-107.11	354.21	7.89	-99.22
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2=NN(C3=CC=CC=C3CC)C=C2[O-])=N1	REAL300003037649	0	50	-2.0	-108.37	408.92	8.84	-99.53
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)=N1	REAL300003037784	0	37	-2.0	-83.10	336.08	6.41	-76.69
CCCC(C(=O)[O-])N1C=CC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL300003037902	0	40	-2.0	-94.23	343.11	4.84	-89.39
CCCC(C(=O)[O-])N1C=CC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL300003037902	1	40	-2.0	-94.23	343.05	4.82	-89.41
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2=CC=C([O-])C(Cl)=C2)=N1	REAL300003037942	0	37	-2.0	-85.33	334.10	6.73	-78.60
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2=CC(Cl)=C([O-])C(OCC)=C2)=N1	REAL300003037945	1	44	-2.0	-87.25	380.89	7.37	-79.88
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2=NN(C3=CC=C(OC)C=C3)C=C2[O-])=N1	REAL300003037954	0	48	-2.0	-107.34	408.40	6.49	-100.85
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2=COC(S(=O)(=O)[N-]C)=C2)=N1	REAL300003037978	1	41	-2.0	-89.62	365.84	1.58	-88.04
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)=N1	REAL300003038071	0	45	-2.0	-94.40	382.53	10.41	-83.99
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)=N1	REAL300003038071	1	45	-2.0	-94.53	382.58	10.38	-84.15
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL300003038146	0	40	-2.0	-80.83	353.89	4.62	-76.21
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL300003038146	1	40	-2.0	-80.82	353.95	4.64	-76.18
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2=C[N-]N=CC2=O)=N1	REAL300003038439	0	35	-2.0	-82.00	305.38	4.52	-77.48
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2=CN=C(COC)[N-]C2=O)=N1	REAL300003038474	1	42	-2.0	-90.27	359.25	3.13	-87.14
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)=N1	REAL300003038524	1	45	-2.0	-89.80	368.88	5.89	-83.91
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=N1	REAL300003038844	0	37	-2.0	-93.54	348.73	8.43	-85.11
O=C([O-])C1CCN(C(=O)C2=N[N-]C3=CC=CC=C3C2=O)C2CCCCC12	REAL300003041383	0	45	-2.0	-103.47	338.73	8.96	-94.51
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(C(=O)[O-])C3CCCCC32)O1	REAL300003042079	1	45	-2.0	-96.39	364.44	3.19	-93.20
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC(C(=O)[O-])C3CCCCC32)=CS1	REAL300003042514	1	52	-2.0	-96.51	399.90	7.41	-89.10
O=C([O-])C1CCN(C(=O)C2=CC=C([O-])C(F)=C2)C2CCCCC12	REAL300003043582	1	41	-2.0	-90.78	311.70	6.92	-83.86
O=C([O-])C1CCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C2CCCCC12	REAL300003043593	1	44	-2.0	-105.94	348.67	8.75	-97.19
O=C([O-])C1CCN(C(=O)CCC2=N[N-]N=N2)C2CCCCC12	REAL300003043627	0	41	-2.0	-89.69	314.21	5.46	-84.23
O=C([O-])C1CCN(C(=O)CCC2=NN=N[N-]2)C2CCCCC12	REAL300003043627	1	41	-2.0	-89.72	314.27	5.48	-84.24
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC(C(=O)[O-])C3CCCCC32)C=N1	REAL300003043696	0	47	-2.0	-98.56	364.66	4.85	-93.71
O=C([O-])C1CCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C2CCCCC12	REAL300003043721	1	46	-2.0	-96.41	350.39	6.35	-90.06
O=C([O-])C1CCN(C(=O)C2=CN=CC([O-])=C2)C2CCCCC12	REAL300003043756	1	40	-2.0	-99.14	309.25	5.18	-93.96
O=C([O-])C1CCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C2CCCCC12	REAL300003043839	0	48	-2.0	-111.21	375.26	8.91	-102.30
O=C([O-])C1CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C2CCCCC12	REAL300003043870	1	46	-2.0	-114.30	342.29	9.64	-104.66
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC(C(=O)[O-])C3CCCCC32)=N1	REAL300003044007	0	54	-2.0	-114.69	419.17	10.11	-104.58
O=C([O-])C1CCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C2CCCCC12	REAL300003044117	0	41	-2.0	-88.19	325.22	7.39	-80.80
COC1=C(C(=O)N2CCC(C(=O)[O-])C3CCCCC32)NC(=O)[N-]C1=O	REAL300003044129	1	44	-2.0	-93.38	339.00	1.38	-92.00
O=C([O-])C1CCN(C(=O)CCCC2=N[N-]N=N2)C2CCCCC12	REAL300003044207	0	44	-2.0	-94.34	335.65	6.26	-88.08
O=C([O-])C1CCN(C(=O)CCCC2=NN=N[N-]2)C2CCCCC12	REAL300003044207	1	44	-2.0	-94.35	335.70	6.27	-88.08
O=C([O-])C1CCN(C(=O)C2=CC=C([O-])C(Cl)=C2)C2CCCCC12	REAL300003044239	0	41	-2.0	-88.24	321.49	7.40	-80.84
CCOC1=CC(C(=O)N2CCC(C(=O)[O-])C3CCCCC32)=CC(Cl)=C1[O-]	REAL300003044242	1	48	-2.0	-94.00	370.29	8.36	-85.64
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC(C(=O)[O-])C4CCCCC43)=N2)C=C1	REAL300003044248	0	52	-2.0	-114.98	402.09	8.25	-106.73
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(C(=O)[O-])C3CCCCC32)=CO1	REAL300003044264	1	45	-2.0	-87.30	353.80	2.75	-84.55
O=C([O-])C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C2CCCCC12	REAL300003044405	0	44	-2.0	-86.47	337.81	6.31	-80.16
O=C([O-])C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C2CCCCC12	REAL300003044405	1	44	-2.0	-86.48	337.88	6.34	-80.14
O=C([O-])C1CCN(C(=O)C2=C[N-]N=CC2=O)C2CCCCC12	REAL300003044637	0	39	-2.0	-87.32	297.88	5.48	-81.84
COCC1=NC=C(C(=O)N2CCC(C(=O)[O-])C3CCCCC32)C(=O)[N-]1	REAL300003044660	1	46	-2.0	-95.75	352.22	4.00	-91.75
O=C([O-])C1CCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C2CCCCC12	REAL300003044703	1	49	-2.0	-96.50	366.14	6.90	-89.60
O=C([O-])C1CCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C2CCCCC12	REAL300003044944	0	41	-2.0	-103.03	343.58	9.26	-93.77
O=C([O-])C(NC(=O)C1=CC=C([O-])C(F)=C1)C1=CC=CC=C1Br	REAL300003047112	1	31	-2.0	-104.12	301.14	6.04	-98.08
O=C([O-])C(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC=C1Br	REAL300003047158	0	31	-2.0	-100.44	299.37	4.13	-96.31
O=C([O-])C(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1Br	REAL300003047158	1	31	-2.0	-100.41	299.42	4.14	-96.27
O=C([O-])C(NC(=O)C1=CN=CC([O-])=C1)C1=CC=CC=C1Br	REAL300003047227	1	30	-2.0	-108.54	289.96	4.15	-104.39
COC1=C(C(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)NC(=O)[N-]C1=O	REAL300003047461	1	34	-2.0	-101.56	323.33	1.71	-99.85
O=C([O-])C(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1Br	REAL300003047515	0	34	-2.0	-109.33	320.09	4.87	-104.46
O=C([O-])C(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1Br	REAL300003047515	1	34	-2.0	-109.38	320.15	4.88	-104.50
O=C([O-])C(NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=CC=CC=C1Br	REAL300003047536	0	31	-2.0	-102.13	310.94	6.54	-95.59
O=C([O-])C(NC(=O)C1=C[N-]N=CC1=O)C1=CC=CC=C1Br	REAL300003047750	0	29	-2.0	-106.10	282.02	4.67	-101.43
COCC1=NC=C(C(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)C(=O)[N-]1	REAL300003047764	1	36	-2.0	-115.27	335.77	3.28	-111.99
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC2C(=O)NCC2=N[N-]N=N2)O1	REAL300003048905	0	37	-2.0	-92.50	344.59	0.47	-92.03
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC2C(=O)NCC2=NN=N[N-]2)O1	REAL300003048905	1	37	-2.0	-92.50	344.65	0.49	-92.01
O=C([O-])C1=C(CSC2=CC=CC=C2C(=O)NCC2=N[N-]N=N2)OC=C1	REAL300003048906	0	36	-2.0	-101.77	336.29	4.83	-96.94
O=C([O-])C1=C(CSC2=CC=CC=C2C(=O)NCC2=NN=N[N-]2)OC=C1	REAL300003048906	1	36	-2.0	-101.79	336.35	4.85	-96.94
CC(SC1=CC=CC=C1C(=O)NCC1=N[N-]N=N1)C(=O)[O-]	REAL300003048907	0	32	-2.0	-96.13	292.57	3.57	-92.56
CC(SC1=CC=CC=C1C(=O)NCC1=NN=N[N-]1)C(=O)[O-]	REAL300003048907	1	32	-2.0	-96.12	292.62	3.58	-92.54
CCOC1=CC(C(=O)NCC2=N[N-]N=N2)=CC=C1OCC(=O)[O-]	REAL300003048908	0	36	-2.0	-88.08	322.08	2.76	-85.32
CCOC1=CC(C(=O)NCC2=NN=N[N-]2)=CC=C1OCC(=O)[O-]	REAL300003048908	1	36	-2.0	-88.07	322.13	2.77	-85.30
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(C(=O)NCC3=N[N-]N=N3)CC2)C=C1	REAL300003048909	0	43	-2.0	-96.09	378.25	1.67	-94.42
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(C(=O)NCC3=NN=N[N-]3)CC2)C=C1	REAL300003048909	1	43	-2.0	-96.09	378.31	1.69	-94.40
O=C([O-])C1=CC=C(S(=O)(=O)NCC(=O)NCC2=N[N-]N=N2)C=C1	REAL300003048910	0	33	-2.0	-89.67	318.73	-1.81	-91.48
O=C([O-])C1=CC=C(S(=O)(=O)NCC(=O)NCC2=NN=N[N-]2)C=C1	REAL300003048910	1	33	-2.0	-89.67	318.79	-1.79	-91.46
CC1=NN(C2=CC=C(C(=O)NCC3=N[N-]N=N3)C=C2)C(C)=C1CCC(=O)[O-]	REAL300003048911	0	44	-2.0	-85.27	378.91	5.44	-79.83
CC1=NN(C2=CC=C(C(=O)NCC3=NN=N[N-]3)C=C2)C(C)=C1CCC(=O)[O-]	REAL300003048911	1	44	-2.0	-85.27	378.96	5.46	-79.81
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1	REAL300003048912	0	35	-2.0	-85.42	314.99	3.37	-82.05
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1	REAL300003048912	1	35	-2.0	-85.42	315.06	3.39	-82.03
O=C([O-])C1=C(C(F)(F)F)N(C2=CC=C(C(=O)NCC3=NN=N[N-]3)C=C2)N=C1	REAL300003048913	0	35	-2.0	-82.54	326.70	3.54	-79.00
O=C([O-])C1=C(C(F)(F)F)N(C2=CC=C(C(=O)NCC3=N[N-]N=N3)C=C2)N=C1	REAL300003048913	1	35	-2.0	-82.54	326.63	3.52	-79.02
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(C(=O)NCC3=N[N-]N=N3)CC2)O1	REAL300003048914	0	40	-2.0	-96.98	363.00	0.02	-96.96
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(C(=O)NCC3=NN=N[N-]3)CC2)O1	REAL300003048914	1	40	-2.0	-96.97	363.06	0.04	-96.93
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)NCC2=NN=N[N-]2)=C1	REAL300003048915	0	32	-2.0	-87.05	297.70	3.42	-83.63
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)NCC2=N[N-]N=N2)=C1	REAL300003048915	1	32	-2.0	-87.06	297.65	3.41	-83.65
CC1=CC(C(=O)NCC2=N[N-]N=N2)=CC(C)=C1OCC(=O)[O-]	REAL300003048916	0	35	-2.0	-84.81	315.10	3.64	-81.17
CC1=CC(C(=O)NCC2=NN=N[N-]2)=CC(C)=C1OCC(=O)[O-]	REAL300003048916	1	35	-2.0	-84.78	315.16	3.65	-81.13
O=C([O-])C1=CC(Br)=CC(C(=O)NCC2=N[N-]N=N2)=C1	REAL300003048917	0	25	-2.0	-84.68	261.29	2.41	-82.27
O=C([O-])C1=CC(Br)=CC(C(=O)NCC2=NN=N[N-]2)=C1	REAL300003048917	1	25	-2.0	-84.68	261.35	2.43	-82.25
O=C([O-])C1=CC=CC=C1C1=CC=CC=C1C(=O)NCC1=NN=N[N-]1	REAL300003048918	0	35	-2.0	-109.67	306.10	5.21	-104.46
O=C([O-])C1=CC=CC=C1C1=CC=CC=C1C(=O)NCC1=N[N-]N=N1	REAL300003048918	1	35	-2.0	-109.67	306.05	5.19	-104.48
O=C([O-])CC1=C(C(=O)NCC2=N[N-]N=N2)NC2=CC=CC=C21	REAL300003048919	0	32	-2.0	-101.23	292.16	2.51	-98.72
O=C([O-])CC1=C(C(=O)NCC2=NN=N[N-]2)NC2=CC=CC=C21	REAL300003048919	1	32	-2.0	-101.22	292.21	2.53	-98.69
O=C([O-])C1=CC=C2CCCC(CC(=O)NCC3=N[N-]N=N3)C2=C1	REAL300003048920	0	38	-2.0	-94.93	318.92	4.71	-90.22
O=C([O-])C1=CC=C2CCCC(CC(=O)NCC3=NN=N[N-]3)C2=C1	REAL300003048920	1	38	-2.0	-94.92	318.97	4.73	-90.19
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)NCC2=N[N-]N=N2)C1	REAL300003048921	0	34	-2.0	-95.34	308.31	2.39	-92.95
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)NCC2=NN=N[N-]2)C1	REAL300003048921	1	34	-2.0	-95.35	308.36	2.40	-92.95
O=C([O-])CC1=C(C(=O)NCC2=N[N-]N=N2)NC2=CC=CC=C21	REAL300003048922	0	32	-2.0	-101.23	292.16	2.51	-98.72
O=C([O-])CC1=C(C(=O)NCC2=NN=N[N-]2)NC2=CC=CC=C21	REAL300003048922	1	32	-2.0	-101.22	292.21	2.53	-98.69
O=C([O-])C1=CN(CC(=O)NCC2=N[N-]N=N2)C2=CC=CC=C12	REAL300003048923	0	32	-2.0	-101.12	298.03	3.94	-97.18
O=C([O-])C1=CN(CC(=O)NCC2=NN=N[N-]2)C2=CC=CC=C12	REAL300003048923	1	32	-2.0	-101.15	298.09	3.95	-97.20
O=C([O-])C1=CC2=C(S1)SC(C(=O)NCC1=NN=N[N-]1)=C2	REAL300003048924	0	25	-2.0	-82.26	269.88	2.39	-79.87
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)NCC2=N[N-]N=N2)=C1	REAL300003048925	0	29	-2.0	-87.03	277.72	1.50	-85.53
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)NCC2=NN=N[N-]2)=C1	REAL300003048925	1	29	-2.0	-87.06	277.77	1.51	-85.55
O=C([O-])C1=C2C=C(C(=O)NCC3=N[N-]N=N3)SC2=CC=C1	REAL300003048926	0	28	-2.0	-95.32	275.17	3.08	-92.24
O=C([O-])C1=C2C=C(C(=O)NCC3=NN=N[N-]3)SC2=CC=C1	REAL300003048926	1	28	-2.0	-95.32	275.23	3.09	-92.23
O=C([O-])C1=C2CCCCC2=C(C(=O)NCC2=N[N-]N=N2)S1	REAL300003048927	0	32	-2.0	-88.64	289.01	3.34	-85.30
O=C([O-])C1=C2CCCCC2=C(C(=O)NCC2=NN=N[N-]2)S1	REAL300003048927	1	32	-2.0	-88.67	289.07	3.35	-85.32
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)=C1	REAL300003051429	0	45	-2.0	-100.11	373.77	5.44	-94.67
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC2(CCC2)C(F)(C(=O)[O-])C1	REAL300003051711	0	45	-2.0	-104.14	373.77	5.68	-98.46
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)O1	REAL300003052143	1	39	-2.0	-109.84	343.15	2.01	-107.83
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC2(CCC2)C(F)(C(=O)[O-])C1	REAL300003052393	0	42	-2.0	-102.75	352.38	4.79	-97.96
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)=CS1	REAL300003052727	1	46	-2.0	-94.00	387.39	6.35	-87.65
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CC2(CCC2)C(F)(C(=O)[O-])C1	REAL300003052951	0	42	-2.0	-94.82	358.80	4.84	-89.98
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC2(CCC2)C(F)(C(=O)[O-])C1	REAL300003052955	0	48	-2.0	-104.65	395.27	6.47	-98.18
O=C([O-])C1(F)CN(C(=O)C2=CC=C([O-])C(F)=C2)CC12CCC2	REAL300003054070	1	35	-2.0	-104.63	297.31	5.80	-98.83
O=C([O-])C1(F)CN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CC12CCC2	REAL300003054082	1	38	-2.0	-124.65	329.29	7.95	-116.70
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)C=N1	REAL300003054195	0	41	-2.0	-110.66	351.86	3.90	-106.76
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)=N1	REAL300003054382	0	45	-2.0	-123.01	377.82	8.55	-114.46
O=C([O-])C1(F)CN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CC12CCC2	REAL300003054387	0	42	-2.0	-122.77	357.30	7.71	-115.06
O=C([O-])C1(F)CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)CC12CCC2	REAL300003054428	1	40	-2.0	-117.60	329.75	8.82	-108.78
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CC4(CCC4)C(F)(C(=O)[O-])C3)=N2)=C1	REAL300003054593	0	45	-2.0	-117.03	375.14	8.28	-108.75
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)=N1	REAL300003054594	0	48	-2.0	-115.55	391.78	9.35	-106.20
O=C([O-])C1(F)CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)CC12CCC2	REAL300003054731	0	35	-2.0	-101.19	313.32	6.36	-94.83
COC1=C(C(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)NC(=O)[N-]C1=O	REAL300003054748	1	38	-2.0	-103.70	318.84	1.93	-101.77
O=C([O-])C1(F)CN(C(=O)CCCC2=N[N-]N=N2)CC12CCC2	REAL300003054847	0	38	-2.0	-97.68	318.73	5.06	-92.62
O=C([O-])C1(F)CN(C(=O)CCCC2=NN=N[N-]2)CC12CCC2	REAL300003054847	1	38	-2.0	-97.70	318.79	5.07	-92.63
O=C([O-])C1(F)CN(C(=O)C2=CC=C([O-])C(Cl)=C2)CC12CCC2	REAL300003054885	0	35	-2.0	-101.61	307.11	6.29	-95.32
CCOC1=CC(C(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300003054889	1	42	-2.0	-106.78	358.17	7.33	-99.45
COC1=CC=C(N2C=C([O-])C(C(=O)N3CC4(CCC4)C(F)(C(=O)[O-])C3)=N2)C=C1	REAL300003054899	0	46	-2.0	-126.89	380.36	6.94	-119.95
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)=CO1	REAL300003054922	1	39	-2.0	-97.64	339.97	1.58	-96.06
O=C([O-])C1(F)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC12CCC2	REAL300003055085	0	38	-2.0	-83.63	325.18	5.30	-78.33
O=C([O-])C1(F)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC12CCC2	REAL300003055085	1	38	-2.0	-83.62	325.24	5.31	-78.31
COCC1=NC=C(C(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)C(=O)[N-]1	REAL300003055415	1	40	-2.0	-100.94	340.58	2.96	-97.98
O=C([O-])C1(F)CN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC12CCC2	REAL300003055783	0	35	-2.0	-118.75	323.28	8.11	-110.64
CC1=C(C(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300003056087	1	43	-2.0	-133.30	367.99	5.52	-127.78
COCC1(C(=O)[O-])CCCN1C(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1	REAL300003058527	1	47	-2.0	-142.28	395.33	10.58	-131.70
COCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300003058872	1	48	-2.0	-104.69	393.95	4.52	-100.17
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC2(COC)C(=O)[O-])O1	REAL300003058873	1	39	-2.0	-103.35	339.19	2.07	-101.28
COCC1(C(=O)[O-])CCCN1C(=O)CC1=CSC([N-]C(=O)C(C)C)=N1	REAL300003059347	1	46	-2.0	-129.03	385.52	5.83	-123.20
COCC1(C(=O)[O-])CCCN1C(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O	REAL300003059536	1	48	-2.0	-127.34	396.56	6.10	-121.24
COCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300003060386	1	38	-2.0	-124.02	324.85	7.52	-116.50
COCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300003060471	0	41	-2.0	-120.33	346.09	3.91	-116.42
COCC1(C(=O)[O-])CCCN1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300003060493	1	40	-2.0	-126.77	329.72	5.35	-121.42
COCC1(C(=O)[O-])CCCN1C(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-]	REAL300003060544	0	51	-2.0	-144.04	406.69	9.54	-134.50
COCC1(C(=O)[O-])CCCN1C(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-]	REAL300003060605	0	45	-2.0	-140.78	374.63	8.67	-132.11
COCC1(C(=O)[O-])CCCN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300003060632	1	40	-2.0	-144.41	326.06	8.24	-136.17
COCC1(C(=O)[O-])CCCN1C(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-]	REAL300003060757	0	45	-2.0	-149.36	371.24	8.27	-141.09
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCCC2(COC)C(=O)[O-])=N1	REAL300003060758	0	48	-2.0	-147.31	385.79	9.22	-138.09
COCC1(C(=O)[O-])CCCN1C(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O	REAL300003060807	1	48	-2.0	-125.25	396.73	6.09	-119.16
COCC1(C(=O)[O-])CCCN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300003060850	0	35	-2.0	-106.07	307.44	6.38	-99.69
COCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300003060947	0	35	-2.0	-107.69	301.25	6.30	-101.39
CCOC1=CC(C(=O)N2CCCC2(COC)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300003060950	1	42	-2.0	-111.36	352.30	7.35	-104.01
COCC1(C(=O)[O-])CCCN1C(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-]	REAL300003060957	0	46	-2.0	-143.50	375.97	6.92	-136.58
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCCC2(COC)C(=O)[O-])=CO1	REAL300003060971	1	39	-2.0	-104.17	335.90	1.72	-102.45
COCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300003061096	0	38	-2.0	-98.43	321.49	5.36	-93.07
COCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300003061096	1	38	-2.0	-98.44	321.56	5.37	-93.07
COCC1=NC=C(C(=O)N2CCCC2(COC)C(=O)[O-])C(=O)[N-]1	REAL300003061330	1	40	-2.0	-124.79	331.82	2.94	-121.85
COCC1(C(=O)[O-])CCCN1C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300003061367	1	43	-2.0	-120.49	349.59	5.84	-114.65
COCC1(C(=O)[O-])CCCN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300003061588	0	35	-2.0	-131.26	318.40	7.55	-123.71
CC1=C(CCC(=O)N2CCC(CC(=O)[O-])CC2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300003062324	1	54	-2.0	-100.44	417.24	7.87	-92.57
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC(CC(=O)[O-])CC2)=C1	REAL300003062677	0	44	-2.0	-100.33	362.55	5.23	-95.10
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(CC(=O)[O-])CC1	REAL300003062989	0	44	-2.0	-100.93	361.55	5.39	-95.54
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCC(CC(=O)[O-])CC2)C=C1	REAL300003063039	1	46	-2.0	-100.56	381.44	10.79	-89.77
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(CC(=O)[O-])CC2)O1	REAL300003063491	1	47	-2.0	-98.29	382.79	4.00	-94.29
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(CC(=O)[O-])CC2)O1	REAL300003063492	1	38	-2.0	-97.55	327.34	1.60	-95.95
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC(CC(=O)[O-])CC2)=C1	REAL300003063723	0	48	-2.0	-107.23	397.30	3.44	-103.79
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(CC(=O)[O-])CC1	REAL300003063769	0	41	-2.0	-100.61	340.11	4.49	-96.12
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC(CC(=O)[O-])CC2)=CS1	REAL300003064143	1	45	-2.0	-95.01	372.14	6.12	-88.89
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCC(CC(=O)[O-])CC1	REAL300003064378	0	41	-2.0	-94.27	347.58	4.62	-89.65
CC1=C(CC(=O)N2CCC(CC(=O)[O-])CC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003064383	1	47	-2.0	-101.38	383.00	6.34	-95.04
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(CC(=O)[O-])CC1	REAL300003064387	0	47	-2.0	-101.53	383.06	6.19	-95.34
CC1=C(C(=O)N2CCC(CC(=O)[O-])CC2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300003064458	1	47	-2.0	-104.94	370.71	5.85	-99.09
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)N1CCC(CC(=O)[O-])CC1	REAL300003065208	0	47	-2.0	-104.82	385.97	6.75	-98.07
O=C([O-])CC1CCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CC1	REAL300003065403	1	37	-2.0	-98.90	315.71	7.38	-91.52
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC(CC(=O)[O-])CC2)C=N1	REAL300003065502	0	40	-2.0	-97.49	339.33	3.61	-93.88
O=C([O-])CC1CCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)CC1	REAL300003065533	1	39	-2.0	-99.60	322.57	5.03	-94.57
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC(CC(=O)[O-])CC3)=N2)=C1	REAL300003065587	0	50	-2.0	-111.85	395.28	9.26	-102.59
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC(CC(=O)[O-])CC3)=N2)C=C1	REAL300003065588	0	50	-2.0	-111.05	395.34	9.28	-101.77
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC(CC(=O)[O-])CC2)=N1	REAL300003065664	0	44	-2.0	-109.21	367.51	7.82	-101.39
O=C([O-])CC1CCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CC1	REAL300003065669	0	41	-2.0	-106.31	341.49	7.42	-98.89
O=C([O-])CC1CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)CC1	REAL300003065693	1	39	-2.0	-109.02	314.92	8.52	-100.50
O=C([O-])CC1CCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)CC1	REAL300003065713	0	41	-2.0	-85.54	360.68	4.99	-80.55
O=C([O-])CC1CCN(C(=O)C2=CN=C(I)C([O-])=C2)CC1	REAL300003065762	0	33	-2.0	-89.54	299.76	4.63	-84.91
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC(CC(=O)[O-])CC3)=N2)=C1	REAL300003065825	0	44	-2.0	-113.18	359.83	7.99	-105.19
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC(CC(=O)[O-])CC2)=N1	REAL300003065826	0	47	-2.0	-112.74	381.51	8.53	-104.21
CC1=C(CC(=O)N2CCC(CC(=O)[O-])CC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003065886	1	47	-2.0	-99.85	383.18	6.33	-93.52
O=C([O-])CC1CCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)CC1	REAL300003065929	0	34	-2.0	-87.71	298.47	6.11	-81.60
COC1=C(C(=O)N2CCC(CC(=O)[O-])CC2)NC(=O)[N-]C1=O	REAL300003065937	1	37	-2.0	-88.76	311.81	0.08	-88.68
CCOC1=CC(C(=O)N2CCC(CC(=O)[O-])CC2)=CC(Cl)=C1[O-]	REAL300003066044	1	41	-2.0	-94.64	344.55	7.12	-87.52
O=C([O-])CC1CCN(C(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])CC1	REAL300003066048	0	44	-2.0	-115.28	370.08	8.25	-107.03
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC(CC(=O)[O-])CC3)=N2)C=C1	REAL300003066056	0	45	-2.0	-109.16	364.91	6.69	-102.47
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(CC(=O)[O-])CC2)=CO1	REAL300003066076	1	38	-2.0	-88.13	326.42	1.39	-86.74
O=C([O-])CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300003066207	0	37	-2.0	-86.55	310.40	5.05	-81.50
O=C([O-])CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300003066207	1	37	-2.0	-86.46	310.47	5.05	-81.41
COCC1=NC=C(C(=O)N2CCC(CC(=O)[O-])CC2)C(=O)[N-]1	REAL300003066479	1	39	-2.0	-97.65	319.27	2.57	-95.08
O=C([O-])CC1CCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)CC1	REAL300003066518	1	42	-2.0	-99.28	338.42	5.58	-93.70
O=C([O-])CC1CCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300003066779	0	34	-2.0	-95.45	310.25	6.88	-88.57
CC1=C(C(=O)N2CCC(CC(=O)[O-])CC2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300003067040	0	42	-2.0	-108.06	350.42	5.29	-102.77
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CC3CCC2C(C(=O)[O-])C3)C=C1	REAL300003068502	1	47	-2.0	-120.71	383.76	11.04	-109.67
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC3CCC2C(C(=O)[O-])C3)O1	REAL300003068863	1	48	-2.0	-107.53	383.37	5.20	-102.33
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC3CCC2C(C(=O)[O-])C3)O1	REAL300003068864	1	39	-2.0	-88.77	330.34	2.05	-86.72
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC3CCC2C(C(=O)[O-])C3)=CS1	REAL300003069362	1	46	-2.0	-120.04	377.04	6.74	-113.30
CC1=C(CC(=O)N2CC3CCC2C(C(=O)[O-])C3)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003069556	1	48	-2.0	-119.00	384.17	6.53	-112.47
O=C([O-])C1CC2CCC1N(C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C2	REAL300003070426	1	38	-2.0	-113.05	316.05	7.47	-105.58
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CC3CCC2C(C(=O)[O-])C3)C=N1	REAL300003070510	0	41	-2.0	-118.92	337.34	4.06	-114.86
O=C([O-])C1CC2CCC1N(C(=O)C1=CN=C(C3CC3)[N-]C1=O)C2	REAL300003070531	1	40	-2.0	-105.45	325.66	5.32	-100.13
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CC4CCC3C(C(=O)[O-])C4)=N2)=C1	REAL300003070582	0	51	-2.0	-122.65	396.79	9.49	-113.16
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CC4CCC3C(C(=O)[O-])C4)=N2)C=C1	REAL300003070583	0	51	-2.0	-121.91	396.72	9.49	-112.42
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CC3CCC2C(C(=O)[O-])C3)=N1	REAL300003070645	0	45	-2.0	-118.91	363.36	8.56	-110.35
O=C([O-])C1CC2CCC1N(C(=O)C1=NN(C3=CC=CC(F)=C3)C=C1[O-])C2	REAL300003070650	0	42	-2.0	-120.70	342.95	7.64	-113.06
O=C([O-])C1CC2CCC1N(C(=O)C1=C([O-])C3=CC=CC=C3C=N1)C2	REAL300003070674	1	40	-2.0	-123.53	315.50	8.82	-114.71
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CC4CCC3C(C(=O)[O-])C4)=N2)=C1	REAL300003070798	0	45	-2.0	-126.90	361.28	8.22	-118.68
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC3CCC2C(C(=O)[O-])C3)=N1	REAL300003070799	0	48	-2.0	-125.00	375.45	9.21	-115.79
CC1=C(CC(=O)N2CC3CCC2C(C(=O)[O-])C3)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003070849	1	48	-2.0	-122.80	386.99	6.84	-115.96
O=C([O-])C1CC2CCC1N(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)C2	REAL300003070892	0	35	-2.0	-93.27	296.36	6.17	-87.10
COC1=C(C(=O)N2CC3CCC2C(C(=O)[O-])C3)NC(=O)[N-]C1=O	REAL300003070899	1	38	-2.0	-92.45	315.06	0.50	-91.95
O=C([O-])C1CC2CCC1N(C(=O)C1=CC=C([O-])C(Cl)=C1)C2	REAL300003070989	0	35	-2.0	-111.54	291.44	6.36	-105.18
CCOC1=CC(C(=O)N2CC3CCC2C(C(=O)[O-])C3)=CC(Cl)=C1[O-]	REAL300003070992	1	42	-2.0	-98.67	339.67	7.10	-91.57
COC1=CC=C(N2C=C([O-])C(C(=O)N3CC4CCC3C(C(=O)[O-])C4)=N2)C=C1	REAL300003071000	0	46	-2.0	-145.60	368.61	7.18	-138.42
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC3CCC2C(C(=O)[O-])C3)=CO1	REAL300003071014	1	39	-2.0	-105.97	327.34	1.84	-104.13
O=C([O-])C1CC2CCC1N(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL300003071142	0	38	-2.0	-99.00	313.54	5.61	-93.39
O=C([O-])C1CC2CCC1N(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL300003071142	1	38	-2.0	-98.93	313.61	5.62	-93.31
COCC1=NC=C(C(=O)N2CC3CCC2C(C(=O)[O-])C3)C(=O)[N-]1	REAL300003071388	1	40	-2.0	-104.29	327.50	2.97	-101.32
O=C([O-])C1CC2CCC1N(C(=O)C1=CN=C(C3CCC3)[N-]C1=O)C2	REAL300003071425	1	43	-2.0	-105.40	341.41	5.86	-99.54
O=C([O-])C1CC2CCC1N(C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C2	REAL300003071651	0	35	-2.0	-105.22	311.45	7.38	-97.84
COC1CCN(C(=O)CN2C(=S)[N-]N=C2C2=CC=C(C)C=C2)C(C(=O)[O-])C1	REAL300003072943	1	47	-2.0	-140.58	391.26	10.33	-130.25
COC1CCN(C(=O)C2=CC=C(S(=O)(=O)[N-]C(C)(C)C)O2)C(C(=O)[O-])C1	REAL300003073300	1	48	-2.0	-103.95	389.84	3.76	-100.19
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(OC)CC2C(=O)[O-])O1	REAL300003073301	1	39	-2.0	-102.46	335.07	1.31	-101.15
COC1CCN(C(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)C(C(=O)[O-])C1	REAL300003073788	1	46	-2.0	-132.75	379.93	5.73	-127.02
COC1CCN(C(=O)CC2=C(C)N=C(C3=CC=CN=C3)[N-]C2=O)C(C(=O)[O-])C1	REAL300003073984	1	48	-2.0	-138.88	389.82	5.90	-132.98
COC1CCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C(C(=O)[O-])C1	REAL300003074861	1	38	-2.0	-127.07	328.94	6.20	-120.87
COC1CCN(C(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C(C(=O)[O-])C1	REAL300003074947	0	41	-2.0	-111.97	347.74	3.16	-108.81
COC1CCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C(C(=O)[O-])C1	REAL300003074969	1	40	-2.0	-126.32	332.03	4.55	-121.77
COC1CCN(C(=O)C2=NN(C3=CC=CC(C(C)C)=C3)C=C2[O-])C(C(=O)[O-])C1	REAL300003075021	0	51	-2.0	-149.46	405.21	8.79	-140.67
COC1CCN(C(=O)C2=NN(C3=CC=C(C(C)C)C=C3)C=C2[O-])C(C(=O)[O-])C1	REAL300003075022	0	51	-2.0	-148.55	405.15	8.80	-139.75
COC1CCN(C(=O)C2=NN(C3=CC=C(F)C=C3C)C=C2[O-])C(C(=O)[O-])C1	REAL300003075084	0	45	-2.0	-147.51	369.00	8.01	-139.50
COC1CCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C(C(=O)[O-])C1	REAL300003075089	0	42	-2.0	-147.07	351.36	6.94	-140.13
COC1CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C(C(=O)[O-])C1	REAL300003075114	1	40	-2.0	-152.18	325.41	7.20	-144.98
COC1CCN(C(=O)C2=NN(C3=CC(C)=CC=C3F)C=C2[O-])C(C(=O)[O-])C1	REAL300003075244	0	45	-2.0	-154.55	369.39	7.44	-147.11
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC(OC)CC2C(=O)[O-])=N1	REAL300003075245	0	48	-2.0	-152.45	385.14	8.48	-143.97
COC1CCN(C(=O)CC2=C(C)N=C(C3=CC=NC=C3)[N-]C2=O)C(C(=O)[O-])C1	REAL300003075295	1	48	-2.0	-132.97	391.92	5.73	-127.24
COC1CCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C(C(=O)[O-])C1	REAL300003075340	0	35	-2.0	-107.02	308.84	5.71	-101.31
COC1=C(C(=O)N2CCC(OC)CC2C(=O)[O-])NC(=O)[N-]C1=O	REAL300003075347	1	38	-2.0	-106.51	316.72	0.34	-106.17
COC1CCN(C(=O)C2=CC=C([O-])C(Cl)=C2)C(C(=O)[O-])C1	REAL300003075441	0	35	-2.0	-109.23	299.31	5.60	-103.63
CCOC1=CC(C(=O)N2CCC(OC)CC2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300003075444	1	42	-2.0	-112.28	353.69	6.68	-105.60
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC(OC)CC3C(=O)[O-])=N2)C=C1	REAL300003075452	0	46	-2.0	-148.20	374.43	6.17	-142.03
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(OC)CC2C(=O)[O-])=CO1	REAL300003075466	1	39	-2.0	-114.16	340.69	1.18	-112.98
COC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C(=O)[O-])C1	REAL300003075593	0	38	-2.0	-99.86	318.04	4.68	-95.18
COC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C(=O)[O-])C1	REAL300003075593	1	38	-2.0	-99.86	318.10	4.69	-95.17
COCC1=NC=C(C(=O)N2CCC(OC)CC2C(=O)[O-])C(=O)[N-]1	REAL300003075835	1	40	-2.0	-125.02	333.88	2.20	-122.82
COC1CCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C(C(=O)[O-])C1	REAL300003075872	1	43	-2.0	-134.71	347.60	4.96	-129.75
COC1CCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C(C(=O)[O-])C1	REAL300003076103	0	35	-2.0	-123.52	322.99	6.25	-117.27
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)O1	REAL300003077672	1	41	-2.0	-96.77	366.66	0.29	-96.48
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1	REAL300003077859	0	44	-2.0	-105.81	380.55	3.22	-102.59
CC1=C(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300003078386	1	50	-2.0	-108.59	410.06	4.53	-104.06
O=C([O-])C1=CN(C2CCN(C(=O)C3=CC=C([O-])C(F)=C3)CC2)N=N1	REAL300003079369	1	37	-2.0	-97.76	321.78	4.24	-93.52
O=C([O-])C1=CN(C2CCN(C(=O)C3=CC=C(C(F)(F)F)C=C3[O-])CC2)N=N1	REAL300003079382	1	40	-2.0	-106.54	356.60	5.62	-100.92
O=C([O-])C1=CN(C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)N=N1	REAL300003079438	0	37	-2.0	-94.63	320.63	2.71	-91.92
O=C([O-])C1=CN(C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)N=N1	REAL300003079438	1	37	-2.0	-94.65	320.57	2.69	-91.96
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)C=N1	REAL300003079513	0	43	-2.0	-104.01	378.12	2.37	-101.64
O=C([O-])C1=CN(C2CCN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)CC2)N=N1	REAL300003079544	1	42	-2.0	-106.97	362.35	3.74	-103.23
O=C([O-])C1=CN(C2CCN(C(=O)C3=CN=CC([O-])=C3)CC2)N=N1	REAL300003079582	1	36	-2.0	-101.03	311.06	2.29	-98.74
O=C([O-])C1=CN(C2CCN(C(=O)C3=C([O-])C4=CC=CC=C4C=N3)CC2)N=N1	REAL300003079739	1	42	-2.0	-110.29	354.27	7.19	-103.10
O=C([O-])C1=CN(C2CCN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)CC2)N=N1	REAL300003080026	0	37	-2.0	-95.37	339.05	4.82	-90.55
COC1=C(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)NC(=O)[N-]C1=O	REAL300003080045	1	40	-2.0	-97.28	351.50	-1.22	-98.50
O=C([O-])C1=CN(C2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)N=N1	REAL300003080141	0	40	-2.0	-102.00	342.13	3.49	-98.51
O=C([O-])C1=CN(C2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)N=N1	REAL300003080141	1	40	-2.0	-102.03	342.07	3.47	-98.56
O=C([O-])C1=CN(C2CCN(C(=O)C3=CC=C([O-])C(Cl)=C3)CC2)N=N1	REAL300003080176	0	37	-2.0	-94.50	331.58	4.73	-89.77
CCOC1=CC(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)=CC(Cl)=C1[O-]	REAL300003080179	1	44	-2.0	-98.71	383.89	5.80	-92.91
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CCOC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003086910	0	40	-2.0	-109.49	325.17	8.79	-100.70
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CC1=CC(Cl)=CC=C1OCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003086912	0	40	-2.0	-106.55	346.71	9.82	-96.73
CC(OC1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003086913	0	40	-2.0	-108.02	323.03	8.86	-99.16
COC1=CC=CC(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003086914	0	40	-2.0	-111.30	329.85	8.88	-102.42
COC1=CC=C(OCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003086915	0	41	-2.0	-108.53	339.37	7.88	-100.65
CC1=CC=CC(OCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003086916	0	40	-2.0	-109.60	331.32	9.27	-100.33
COC1=CC=CC=C1OCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003086917	0	41	-2.0	-114.07	339.16	8.35	-105.72
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CCOC1=CC=CC=C1OCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003086919	0	44	-2.0	-114.46	361.01	9.27	-105.19
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COC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC=C1OC(F)F	REAL300003086925	0	41	-2.0	-115.22	345.91	7.22	-108.00
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CCOC1=CC=C(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003086927	0	43	-2.0	-109.86	350.58	8.69	-101.17
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CC1=CC=C(OCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003086930	0	40	-2.0	-109.36	331.28	9.27	-100.09
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COC1=CC=CC=C1CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003086932	0	40	-2.0	-114.97	329.11	7.98	-106.99
COC1=CC=C(CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1OC	REAL300003086933	0	47	-2.0	-108.19	380.50	9.59	-98.60
COC1=CC=CC=C1CCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003086934	0	43	-2.0	-111.12	350.51	8.79	-102.33
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CCOC1=C(Cl)C=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1OC	REAL300003086936	0	44	-2.0	-107.25	375.12	9.41	-97.84
COC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC(Cl)=C1OC	REAL300003086937	0	41	-2.0	-107.01	353.27	8.46	-98.55
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CC1=CC=CC=C1CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003086939	0	39	-2.0	-110.14	317.94	9.16	-100.98
CC(C)CC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003086940	0	45	-2.0	-112.05	355.03	11.25	-100.80
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COC1=CC=C(C2=NC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=CS2)C=C1	REAL300003086946	0	43	-2.0	-125.33	368.77	8.50	-116.83
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(Cl)C=C2F)C1	REAL300003086947	0	33	-2.0	-110.17	293.53	9.18	-100.99
CC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1F	REAL300003086948	0	36	-2.0	-108.92	299.86	9.27	-99.65
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2COC3=CC=CC=C3C2)C1	REAL300003086949	0	41	-2.0	-108.23	330.63	8.31	-99.92
COC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300003086950	0	36	-2.0	-107.23	300.13	5.23	-102.00
COC1=CC(C#N)=CC=C1OCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003086951	0	42	-2.0	-110.30	359.94	8.75	-101.55
CC1=NN(C)C2=C1C=C(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])S2	REAL300003086952	0	39	-2.0	-109.23	338.10	8.27	-100.96
CN1N=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C2=CC=CC=C2C1=O	REAL300003086953	0	41	-2.0	-114.70	338.17	7.60	-107.10
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O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(Br)O2)C1	REAL300003086955	0	30	-2.0	-106.69	278.74	7.55	-99.14
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=C(F)C=CC=C2Cl)C1	REAL300003086956	0	36	-2.0	-111.05	319.70	10.03	-101.02
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC(Cl)=C2Cl)C1	REAL300003086957	0	33	-2.0	-109.93	300.14	9.47	-100.46
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(Cl)=CC=C2Cl)C1	REAL300003086958	0	33	-2.0	-109.65	308.78	8.63	-101.02
COC1=CC=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1OC	REAL300003086959	0	41	-2.0	-115.73	337.33	7.09	-108.64
COC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC(OC)=C1	REAL300003086960	0	41	-2.0	-115.61	332.01	7.18	-108.43
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC=C2Cl)C1	REAL300003086961	0	33	-2.0	-112.76	284.49	8.96	-103.80
COC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003086962	0	37	-2.0	-109.75	303.31	7.85	-101.90
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(Cl)C=C2Cl)C1	REAL300003086963	0	33	-2.0	-106.48	301.67	9.53	-96.95
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC(OC(F)F)=C2)C1	REAL300003086964	0	37	-2.0	-113.26	316.75	7.31	-105.95
COC1=CC=C(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003086965	0	40	-2.0	-110.01	328.73	7.77	-102.24
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)COC2=CC=CC(Br)=C2)C1	REAL300003086966	0	37	-2.0	-106.87	331.04	9.17	-97.70
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)COC2=CC=C(Cl)C=C2)C1	REAL300003086967	0	37	-2.0	-106.34	325.93	9.52	-96.82
COC1=CC=CC=C1C=CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003086968	0	41	-2.0	-116.44	338.15	8.55	-107.89
CC1=CC=CC=C1OCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003086969	0	40	-2.0	-109.85	329.95	9.31	-100.54
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)COC2=CC=CC=C2Cl)C1	REAL300003086970	0	37	-2.0	-110.03	325.91	9.13	-100.90
CC1=CC(OCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC(C)=C1	REAL300003086971	0	43	-2.0	-110.89	352.06	10.34	-100.55
CC1=CC=C(Cl)C(OCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003086972	0	40	-2.0	-110.02	347.35	9.80	-100.22
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)COC2=CC=C3CCCC3=C2)C1	REAL300003086973	0	44	-2.0	-111.30	354.78	10.93	-100.37
CCCOC1=CC=C(OCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003086974	0	47	-2.0	-108.09	382.72	9.61	-98.48
CCOC1=CC=C(OCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003086975	0	44	-2.0	-108.39	361.22	8.80	-99.59
CC1=CC=C(OC(C)C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003086976	0	43	-2.0	-110.53	342.88	9.82	-100.71
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC2=CC=CC=C2Cl)C1	REAL300003086977	0	39	-2.0	-111.08	334.85	9.81	-101.27
CC(OC1=CC=C(F)C=C1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003086978	0	40	-2.0	-106.45	327.89	9.21	-97.24
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C=CC2=CC=C(F)C(Cl)=C2)C1	REAL300003086979	0	37	-2.0	-111.32	332.23	9.70	-101.62
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NOC(C3CC3)=C2)C1	REAL300003086980	0	36	-2.0	-113.16	305.32	8.84	-104.32
CC(C)COC(C)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003086981	0	42	-2.0	-107.90	331.81	7.90	-100.00
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CC(=O)N1CCC2=CC=CC=C2C1CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003086983	0	50	-2.0	-129.25	380.37	10.41	-118.84
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CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])SC(C2=NC=CC=N2)=N1	REAL300003087003	0	40	-2.0	-115.35	351.21	7.34	-108.01
CCC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])NC(C)=C1C(C)=O	REAL300003087004	0	45	-2.0	-112.51	374.47	9.19	-103.32
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC2=NC=CS2)C1	REAL300003087005	0	35	-2.0	-108.12	306.97	6.54	-101.58
CC(C)OC1=NC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1Cl	REAL300003087006	0	42	-2.0	-107.61	362.45	6.75	-100.86
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC(=O)N2CCC3=C(C=CS3)C2)C1	REAL300003087007	0	47	-2.0	-112.51	388.75	9.26	-103.25
CCC1=NC(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CS1	REAL300003087008	0	38	-2.0	-113.02	327.26	8.18	-104.84
CC1=CN(CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])N=C1	REAL300003087009	0	39	-2.0	-111.23	325.05	7.27	-103.96
CC(C)(C)C1=NC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300003087010	0	41	-2.0	-109.28	347.25	8.72	-100.56
CCOC1=CC=C(Cl)C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300003087011	0	39	-2.0	-116.14	345.58	5.88	-110.26
COCC1=NC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CS1	REAL300003087012	0	36	-2.0	-123.62	316.95	5.23	-118.39
CCN(CC)C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300003087013	0	46	-2.0	-113.84	365.14	10.23	-103.61
CC1=NN(C(F)F)C(C)=C1CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087014	0	42	-2.0	-109.97	354.97	7.56	-102.41
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(N3CCCCCC3)N=C2)C1	REAL300003087015	0	50	-2.0	-111.45	374.81	9.58	-101.87
CC1=NN(C)C(C)=C1C(=O)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087016	0	41	-2.0	-112.01	344.30	7.44	-104.57
CSCC1=NC2=CC=CC=C2N1CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087017	0	46	-2.0	-110.06	393.47	10.49	-99.57
CC1=CC=CC2=C1N=CN(CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C2=O	REAL300003087018	0	44	-2.0	-119.53	365.90	10.86	-108.67
CC1=NC2=CC(F)=CC=C2C=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087019	0	41	-2.0	-106.18	342.68	9.42	-96.76
CC1=NOC2=NC(C3CC3)=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=C12	REAL300003087020	0	44	-2.0	-98.94	360.46	7.33	-91.61
CC1=NN(C)C(C)=C1CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087021	0	42	-2.0	-112.11	340.97	8.30	-103.81
CC1OC2=CC=CC=C2N(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C1=O	REAL300003087022	0	45	-2.0	-115.72	367.10	9.01	-106.71
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C=CC2=CC=C(N3CCCC3=O)C=C2)C1	REAL300003087023	0	48	-2.0	-125.95	387.44	10.32	-115.63
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(CN3C=NC=N3)C=C2)C1	REAL300003087024	0	42	-2.0	-118.14	352.44	11.65	-106.49
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(OCC(F)(F)F)N=C2)C1	REAL300003087025	0	39	-2.0	-104.70	341.56	6.62	-98.08
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C=CC2=CC=CC3=CC=CN=C23)C1	REAL300003087026	0	42	-2.0	-120.06	350.61	9.73	-110.33
CC1=NN(C)C2=NC(C)=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=C12	REAL300003087027	0	44	-2.0	-107.17	355.16	8.45	-98.72
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CN2C(=O)COC3=CC=C(Cl)C=C32)C1	REAL300003087028	0	42	-2.0	-114.18	363.56	8.83	-105.35
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(N3C=CC=N3)N=C2)C1	REAL300003087029	0	39	-2.0	-109.28	328.61	8.99	-100.29
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NC(N3CCCC3)=NC=C2Cl)C1	REAL300003087030	0	43	-2.0	-119.82	361.14	8.72	-111.10
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CSC(C3=CC=CO3)=N2)C1	REAL300003087031	0	36	-2.0	-122.35	322.61	8.09	-114.26
CC1=NC(C(F)(F)F)=CC=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087032	0	38	-2.0	-102.28	330.13	8.23	-94.05
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CC(=O)N(C3=CC=CC=C3)C2)C1	REAL300003087033	0	44	-2.0	-111.03	351.21	8.68	-102.35
CCC(=O)N1CCCC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C1	REAL300003087034	0	46	-2.0	-121.37	357.58	8.62	-112.75
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCCN(C(=O)C3CC3)C2)C1	REAL300003087035	0	47	-2.0	-117.68	364.16	9.22	-108.46
CCS(=O)(=O)N1CCCC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C1	REAL300003087036	0	47	-2.0	-118.06	376.03	5.29	-112.77
CN(CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C(=O)C1=CC=CS1	REAL300003087037	0	40	-2.0	-114.58	341.75	7.29	-107.29
CC(C)CN1CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CC1=O	REAL300003087038	0	46	-2.0	-110.80	358.96	7.68	-103.12
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CSCC2=CC=CN=C2)C1	REAL300003087039	0	39	-2.0	-110.16	340.21	8.32	-101.84
CCC(=O)NC1=CC=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003087040	0	43	-2.0	-125.62	352.78	7.39	-118.23
COC1=CC=C(N2CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])CC2=O)C=C1	REAL300003087041	0	48	-2.0	-106.67	383.24	8.06	-98.61
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CC(=O)N(C3=CC=C(Cl)C=C3)C2)C1	REAL300003087042	0	44	-2.0	-104.12	370.47	9.29	-94.83
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CC(=O)N(CC3=CC=CC=N3)C2)C1	REAL300003087043	0	46	-2.0	-116.45	376.29	7.50	-108.95
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CN2C=C(C(F)(F)F)C=CC2=O)C1	REAL300003087044	0	39	-2.0	-113.28	343.26	9.12	-104.16
CC1=NC2=CC=CC=C2C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003087045	0	41	-2.0	-112.92	334.70	8.41	-104.51
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CC(=O)N(CC3=CC=CC=C3)C2)C1	REAL300003087046	0	47	-2.0	-106.83	383.88	9.43	-97.40
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CN2C=NC3=CC=CC=C3C2=O)C1	REAL300003087047	0	41	-2.0	-114.92	345.75	10.03	-104.89
COC1=CC=CC=C1N1CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CC1=O	REAL300003087048	0	48	-2.0	-117.18	387.33	8.31	-108.87
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CC(=O)N(CC3=CC=CO3)C2)C1	REAL300003087049	0	44	-2.0	-108.83	364.63	7.55	-101.28
CC1=CC=CC(N2CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])CC2=O)=C1C	REAL300003087050	0	50	-2.0	-120.50	396.96	10.51	-109.99
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CSC2=NC3=CC=CC=C3S2)C1	REAL300003087051	0	39	-2.0	-112.54	354.70	8.87	-103.67
CC1=CC=CC(N2N=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])CCC2=O)=C1	REAL300003087052	0	47	-2.0	-109.19	389.46	10.07	-99.12
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CN2CCCCCC2=O)C1	REAL300003087053	0	43	-2.0	-115.43	332.68	7.61	-107.82
CCC1=CC=CC=C1N1CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CC1=O	REAL300003087054	0	50	-2.0	-112.20	388.86	10.52	-101.68
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CN2C(=O)COC3=CC=CC=C32)C1	REAL300003087055	0	42	-2.0	-115.45	346.83	8.32	-107.13
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CN2CSCC2=O)C1	REAL300003087056	0	35	-2.0	-108.37	305.08	5.95	-102.42
CC(=O)N1CCC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300003087057	0	43	-2.0	-110.92	337.03	6.88	-104.04
CC1=CC=CC2=NC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=CN21	REAL300003087058	0	39	-2.0	-124.85	323.84	10.42	-114.43
CC(C1=CC=CC=C1)N1CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CC1=O	REAL300003087059	0	50	-2.0	-108.36	394.75	10.41	-97.95
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CC(=O)N(C3CCCC3)C2)C1	REAL300003087060	0	47	-2.0	-109.06	360.81	8.12	-100.94
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CC(=O)N(C3CC3)C2)C1	REAL300003087061	0	41	-2.0	-106.40	327.66	6.91	-99.49
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(CN3CCCC3=O)C=C2)C1	REAL300003087062	0	47	-2.0	-122.78	381.35	10.32	-112.46
CC(=O)NC(CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=C(C)C=C1	REAL300003087063	0	49	-2.0	-110.77	400.71	8.92	-101.85
CC1=CC2=NC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=CN2C=C1	REAL300003087064	0	39	-2.0	-124.85	324.51	10.58	-114.27
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CSC(C3=CC=CN=C3)=N2)C1	REAL300003087065	0	41	-2.0	-118.41	359.03	8.75	-109.66
CSC1=NC(C)=C(CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C(C)=N1	REAL300003087066	0	47	-2.0	-108.69	389.02	8.93	-99.76
CC(C)(C)OC(=O)NCCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087067	0	46	-2.0	-109.64	367.30	5.39	-104.25
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CN2C3=CC=CC=C3OCCC2=O)C1	REAL300003087068	0	45	-2.0	-119.76	363.31	8.88	-110.88
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CSC(C3=CSC=C3)=N2)C1	REAL300003087069	0	39	-2.0	-114.65	355.06	9.44	-105.21
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC2=NN=C(C3=CC=CC=C3)O2)C1	REAL300003087070	0	44	-2.0	-111.52	373.73	5.40	-106.12
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])SC2=C1C(=O)N(C)C=N2	REAL300003087071	0	41	-2.0	-120.97	348.62	9.03	-111.94
COC1=CC=CC=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087072	0	37	-2.0	-119.46	301.02	8.47	-110.99
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CNC3=CC=CC=C23)C1	REAL300003087073	0	40	-2.0	-114.82	332.25	9.64	-105.18
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN3C=CC=CC3=N2)C1	REAL300003087074	0	36	-2.0	-129.58	303.71	8.94	-120.64
CC1SC2=CC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=C2NC1=O	REAL300003087075	0	42	-2.0	-109.15	357.02	7.45	-101.70
CCN1N=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C2=CC=CC=C2C1=O	REAL300003087076	0	44	-2.0	-115.11	359.97	8.52	-106.59
CN1N=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=CC1=O	REAL300003087077	0	35	-2.0	-109.18	297.68	5.25	-103.93
COCC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])OC2=CC=CC=C21	REAL300003087078	0	43	-2.0	-116.78	355.00	8.66	-108.12
CC1=CC=C(S(C)(=O)=O)C=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087079	0	42	-2.0	-118.71	352.75	5.61	-113.10
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(F)=CC=C2F)C1	REAL300003087080	0	33	-2.0	-111.82	289.83	7.76	-104.06
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CC1=NC2=CC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=C2N=C1C	REAL300003087143	0	43	-2.0	-121.62	353.18	7.29	-114.33
CC1OC2=CC=CC=C2N(CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C1=O	REAL300003087144	0	48	-2.0	-116.13	388.63	8.54	-107.59
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COC1=CC(C=CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC(OC)=C1	REAL300003087147	0	45	-2.0	-115.08	368.72	7.79	-107.29
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CC(=O)C1=CN(C)C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003087149	0	39	-2.0	-130.85	319.72	7.33	-123.52
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CCN1C(=O)N(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C2=CC=CC=C21	REAL300003087152	0	46	-2.0	-119.24	381.74	11.24	-108.00
COC1=CC2=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=C(C)N=C2C=C1	REAL300003087153	0	45	-2.0	-111.47	364.21	8.61	-102.86
CC1=NN(C)C(C)=C1CCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087154	0	45	-2.0	-110.77	364.08	8.21	-102.56
C=C1C2=CC=CC=C2C(=O)N1CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087155	0	42	-2.0	-123.50	355.14	10.18	-113.32
CC(=O)NC(CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CS1	REAL300003087156	0	43	-2.0	-109.71	370.67	7.30	-102.41
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CC1=CC=C(C2=CN=C(CCC(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])O2)C=C1	REAL300003087158	0	48	-2.0	-111.96	398.78	8.59	-103.37
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CC(=O)NC1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003087162	0	44	-2.0	-115.24	364.99	8.98	-106.26
CC1=C(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])N=C(C2=CC=CS2)O1	REAL300003087163	0	42	-2.0	-117.69	367.70	7.64	-110.05
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CC(C)(C)C(=O)NCCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087165	0	45	-2.0	-111.17	360.31	6.01	-105.16
CC(C)C1=NOC(CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300003087166	0	43	-2.0	-107.53	356.07	6.10	-101.43
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COC1=CC=CC(SCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003087171	0	41	-2.0	-108.64	348.84	8.45	-100.19
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CC(C)S(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003087174	0	45	-2.0	-112.71	373.66	7.60	-105.11
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CC1=NN(C2=CC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=C2)CC1	REAL300003087177	0	45	-2.0	-116.62	363.95	10.00	-106.62
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CC(NC(=O)C1=CC=CS1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087241	0	40	-2.0	-111.78	345.05	6.00	-105.78
CC(=O)NCCNC(=O)CCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087242	0	46	-2.0	-116.84	382.39	3.16	-113.68
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CC1=CC=C(Br)C=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087244	0	36	-2.0	-109.94	316.14	9.70	-100.24
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CC(OC1=CC=C(F)C=C1Cl)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087246	0	40	-2.0	-104.74	345.54	9.46	-95.28
CC1(C)CCC(C)(C)C2=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=CC=C21	REAL300003087247	0	55	-2.0	-116.44	406.94	11.82	-104.62
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CC(C)C1=NN(C)C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003087250	0	42	-2.0	-107.15	342.58	8.45	-98.70
COC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])N=N1	REAL300003087251	0	35	-2.0	-118.83	298.48	3.50	-115.33
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CC1=CC=CC=C1N1C=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300003087253	0	43	-2.0	-116.50	355.99	9.72	-106.78
CC1=NC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=NN1C1=CC=CC=C1	REAL300003087254	0	42	-2.0	-124.99	347.97	10.92	-114.07
COCCOC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003087255	0	44	-2.0	-111.89	358.80	8.06	-103.83
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC2CCCCO2)C1	REAL300003087256	0	43	-2.0	-108.34	336.35	8.52	-99.82
CC(CSC1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087257	0	43	-2.0	-108.73	358.65	10.34	-98.39
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=CC(F)=CC=C3O2)C1	REAL300003087258	0	36	-2.0	-111.19	311.08	8.32	-102.87
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CCC(OC1CCCC1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087261	0	46	-2.0	-112.73	350.50	9.59	-103.14
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC(NC3=CN=CC=N3)=C2)C1	REAL300003087262	0	43	-2.0	-117.10	354.32	7.05	-110.05
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NNC3=CC=CC=C3C2=O)C1	REAL300003087263	0	38	-2.0	-124.90	321.37	7.99	-116.91
CC(C)N1C=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300003087264	0	39	-2.0	-122.12	318.46	7.35	-114.77
CS(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])O1	REAL300003087265	0	36	-2.0	-124.67	321.62	3.57	-121.10
CCOC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1C	REAL300003087266	0	43	-2.0	-112.83	348.69	8.62	-104.21
CCN(CC)S(=O)(=O)CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087267	0	43	-2.0	-113.64	357.60	4.73	-108.91
CC1CCCC(OCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C1	REAL300003087268	0	46	-2.0	-108.32	358.09	9.27	-99.05
CC1=NOC(COCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300003087269	0	38	-2.0	-111.61	327.00	4.69	-106.92
CC1CCC(=CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300003087270	0	43	-2.0	-104.96	335.06	9.66	-95.30
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COC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC(OC)=C1OC	REAL300003087272	0	45	-2.0	-106.32	363.95	7.68	-98.64
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(Cl)=CC(Cl)=C2)C1	REAL300003087273	0	33	-2.0	-104.53	306.52	9.58	-94.95
CCOC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1OCC	REAL300003087274	0	47	-2.0	-112.40	379.88	8.78	-103.62
COC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1OC	REAL300003087275	0	41	-2.0	-112.45	336.16	6.95	-105.50
CC1CCC2=C(C1)C1=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=CC=C1N2	REAL300003087276	0	50	-2.0	-114.79	398.00	11.74	-103.05
CC1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])O1	REAL300003087277	0	37	-2.0	-115.62	314.34	8.20	-107.42
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C=CC2=CC=C(OC(F)F)C=C2)C1	REAL300003087278	0	41	-2.0	-113.31	348.16	9.70	-103.61
NC(=O)NC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003087279	0	39	-2.0	-116.26	322.97	4.69	-111.57
CC1=CC(C)=C(OCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C(C)=C1	REAL300003087280	0	46	-2.0	-111.09	373.08	10.72	-100.37
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CNC(=O)CC2=CC=CC=C2)C1	REAL300003087281	0	43	-2.0	-105.54	359.31	8.01	-97.53
CC1=CC=C(S(=O)(=O)NC(C)C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003087282	0	47	-2.0	-114.39	390.81	5.35	-109.04
CC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087283	0	38	-2.0	-120.27	320.26	8.75	-111.52
CC(=O)NCCCCCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087284	0	45	-2.0	-113.86	366.07	6.33	-107.53
CC1=CC=C(CN2CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])CC2=O)C=C1	REAL300003087285	0	50	-2.0	-109.28	402.25	10.00	-99.28
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O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC=CC(F)=C2)C1	REAL300003087289	0	36	-2.0	-107.47	306.75	9.65	-97.82
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O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC2=CC=C(Cl)C(Cl)=C2)C1	REAL300003087292	0	39	-2.0	-103.11	353.66	11.37	-91.74
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=NN1C1=CC=C(F)C=C1F	REAL300003087293	0	43	-2.0	-113.57	364.43	10.45	-103.12
CC1=NOC(CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300003087294	0	37	-2.0	-107.32	313.76	5.03	-102.29
CC1=CC=CC(COC2=CC=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=C2)=C1	REAL300003087295	0	50	-2.0	-121.44	408.83	11.60	-109.84
CC(C)(C)C(=O)NCCCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087296	0	48	-2.0	-111.76	381.81	6.81	-104.95
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CC(NC(=O)C(C)(C)C)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087300	0	45	-2.0	-111.05	355.95	5.92	-105.13
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=NN1C1=NNC(=O)C=C1	REAL300003087301	0	42	-2.0	-109.03	350.81	5.77	-103.26
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=NN1C1=CC=CC=C1F	REAL300003087302	0	43	-2.0	-118.81	357.58	10.37	-108.44
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=CC=C(Br)C=C3N2)C1	REAL300003087303	0	37	-2.0	-106.84	332.67	9.45	-97.39
CC1=CC=CC=C1OCCCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087304	0	46	-2.0	-109.08	371.74	10.73	-98.35
CC1=NOC(C2=CC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=C2)=N1	REAL300003087305	0	41	-2.0	-110.18	347.40	6.98	-103.20
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CC(C)C(=O)N1CCC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300003087309	0	49	-2.0	-110.07	376.88	8.19	-101.88
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O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN(C3=CC=C([N+](=O)[O-])C=C3)N=C2)C1	REAL300003087311	0	42	-2.0	-111.36	361.41	9.28	-102.08
CC(OC1=CC=CC(Cl)=C1Cl)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087312	0	40	-2.0	-106.94	352.67	9.72	-97.22
CC1(C2=CC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=C2)NC(=O)NC1=O	REAL300003087313	0	45	-2.0	-112.49	369.94	5.61	-106.88
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O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C3N=CC=C(C4=CC=CC=C4)N3N=C2)C1	REAL300003087315	0	45	-2.0	-126.60	383.12	11.25	-115.35
CC(C)(C)C1=CC=C2C=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])NC2=C1	REAL300003087316	0	49	-2.0	-110.86	383.38	11.49	-99.37
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CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])N=NN1C1=CC=C(F)C=C1	REAL300003087318	0	42	-2.0	-113.11	352.45	9.11	-104.00
CC(C)NC(=O)NC1=CC=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003087319	0	48	-2.0	-125.79	389.69	6.89	-118.90
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC(N3CCNC3=O)=C2)C1	REAL300003087320	0	43	-2.0	-128.05	348.36	6.38	-121.67
CC(C)(C)C1=NNC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003087321	0	42	-2.0	-106.20	336.59	6.90	-99.30
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NNC3=C2CCCC3)C1	REAL300003087322	0	40	-2.0	-121.52	315.97	6.88	-114.64
CC1=CC=C(N2C=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])N=N2)C=C1	REAL300003087323	0	42	-2.0	-123.51	352.71	8.60	-114.91
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCCC2=CC=C(Cl)C=C2)C1	REAL300003087324	0	42	-2.0	-106.34	359.92	11.69	-94.65
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)COC2=CC=CC(NC(=O)C3CC3)=C2)C1	REAL300003087325	0	48	-2.0	-120.72	397.09	9.07	-111.65
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CNC2=CC=CC=C2Cl)C1	REAL300003087326	0	38	-2.0	-106.38	328.06	7.45	-98.93
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CSC(CC3=CC=CC=C3F)=N2)C1	REAL300003087327	0	42	-2.0	-115.65	367.13	10.76	-104.89
CSC1=CC=C(OC(C)C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003087328	0	44	-2.0	-109.41	361.66	10.16	-99.25
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(N3CCNC3=O)=CC=C2F)C1	REAL300003087329	0	43	-2.0	-109.91	354.59	6.39	-103.52
CC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CSC=C1	REAL300003087330	0	36	-2.0	-105.81	305.60	8.73	-97.08
CC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CS1	REAL300003087331	0	36	-2.0	-107.08	304.27	8.80	-98.28
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NN(C3=CC=C(F)C=C3)N=C2)C1	REAL300003087332	0	39	-2.0	-108.40	338.14	8.84	-99.56
CC(CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300003087333	0	45	-2.0	-107.38	374.20	10.88	-96.50
CCC(CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=C(C)C=C1	REAL300003087334	0	48	-2.0	-108.65	376.25	11.19	-97.46
CC(CC1=CC=CC=C1F)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087335	0	42	-2.0	-110.37	336.57	9.60	-100.77
CC(CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC=C1C(F)(F)F	REAL300003087336	0	45	-2.0	-109.43	367.96	10.66	-98.77
CC(CC1=CC=C(C(F)(F)F)C=C1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087337	0	45	-2.0	-110.71	371.58	10.58	-100.13
CC(CC1=CC=CC(C(F)(F)F)=C1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087338	0	45	-2.0	-106.23	376.67	10.77	-95.46
CC(C)C1=CC=C(C(C)CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003087339	0	51	-2.0	-108.18	395.37	11.80	-96.38
CC1=CSC(C2=CC=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=C2)=N1	REAL300003087340	0	42	-2.0	-117.81	363.81	9.20	-108.61
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC2=CC(Cl)=CS2)C1	REAL300003087341	0	36	-2.0	-105.85	329.30	9.04	-96.81
CC1=CC=CC(C(C)C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003087342	0	42	-2.0	-109.31	333.73	10.28	-99.03
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CSC(C3=COC=C3)=N2)C1	REAL300003087343	0	39	-2.0	-114.03	347.57	7.60	-106.43
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=C(CCCCC3)NC2=O)C1	REAL300003087344	0	46	-2.0	-127.71	354.72	8.40	-119.31
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCN2C(=O)CCC3=CC=CC=C32)C1	REAL300003087345	0	47	-2.0	-117.23	376.98	9.78	-107.45
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCN2C(=O)CCC3=CC(F)=CC=C32)C1	REAL300003087346	0	47	-2.0	-115.10	383.40	9.84	-105.26
CCC1=CC=C(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003087347	0	42	-2.0	-109.78	342.11	9.91	-99.87
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCCC2=NC(C3CC3)=NO2)C1	REAL300003087348	0	44	-2.0	-111.47	366.65	7.33	-104.14
CCCCSCCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087349	0	42	-2.0	-106.75	349.98	9.35	-97.40
CC1=NOC(C)=C1CC(C)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087350	0	44	-2.0	-108.83	348.10	8.23	-100.60
CN1C=C(C2=CC=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=C2)C=N1	REAL300003087351	0	43	-2.0	-118.35	356.28	8.95	-109.40
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC2=NC(C3=COC=C3)=NO2)C1	REAL300003087352	0	41	-2.0	-110.22	355.04	6.03	-104.19
CC(C)(C)CNC(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003087353	0	52	-2.0	-108.14	409.19	9.91	-98.23
CC(C)NS(=O)(=O)C1=CNC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003087354	0	45	-2.0	-109.56	378.66	3.41	-106.15
CC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC=C1NC(=O)CC(C)C	REAL300003087355	0	52	-2.0	-125.08	408.18	9.54	-115.54
CC(C)CNC(=O)N1CCCC(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C1	REAL300003087356	0	57	-2.0	-127.60	431.19	9.74	-117.86
CC(C)=CCOC1=CC=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003087357	0	47	-2.0	-113.53	379.83	9.94	-103.59
CC(C)C(=O)NC1=CC=C(Cl)C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003087358	0	46	-2.0	-108.20	387.20	8.43	-99.77
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2CCC(C3=CC=CC=C3)CC2)C1	REAL300003087359	0	52	-2.0	-110.99	390.35	12.12	-98.87
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2CCCC3=CC=CC=C32)C1	REAL300003087360	0	46	-2.0	-107.90	353.27	11.49	-96.41
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2CCC3=CC=CC=C3C2)C1	REAL300003087361	0	46	-2.0	-109.71	356.93	10.87	-98.84
CC(C)COC1=CC=C(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003087362	0	49	-2.0	-109.69	392.19	10.19	-99.50
CC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC(C)=C1OC(F)F	REAL300003087363	0	43	-2.0	-113.12	358.19	9.84	-103.28
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC2=CC(Br)=CS2)C1	REAL300003087364	0	36	-2.0	-105.95	333.89	9.15	-96.80
COC1=CC=CC=C1CC(C)CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087365	0	49	-2.0	-112.05	384.76	9.99	-102.06
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CN2N=CC3=CC=CC=C32)C1	REAL300003087366	0	39	-2.0	-115.78	329.03	9.16	-106.62
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CC2C2=CC=C(Cl)C=C2Cl)C1	REAL300003087367	0	40	-2.0	-105.39	350.46	10.77	-94.62
COC1=CC=C(C(C)C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003087368	0	43	-2.0	-109.41	344.61	8.15	-101.26
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C3C=CC=CN3N=C2)C1	REAL300003087369	0	36	-2.0	-121.40	300.74	8.38	-113.02
CCC1=C2NC=C(CC(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C2=CC=C1	REAL300003087370	0	46	-2.0	-117.10	375.61	10.09	-107.01
CC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC=C1S(N)(=O)=O	REAL300003087371	0	41	-2.0	-116.06	346.92	3.36	-112.70
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC(OC3CCCC3)=C2)C1	REAL300003087372	0	47	-2.0	-116.11	368.69	9.80	-106.31
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CSC(C3=COC=C3)=N2)C1	REAL300003087373	0	36	-2.0	-117.37	320.24	7.95	-109.42
CC1=NN(C2=CC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=C2F)C(C)=C1	REAL300003087374	0	46	-2.0	-109.38	380.41	10.94	-98.44
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN(C3=CC=CC([N+](=O)[O-])=C3)N=N2)C1	REAL300003087375	0	41	-2.0	-120.20	358.35	9.54	-110.66
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CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=NN1C1=CC=CC(Cl)=C1	REAL300003087421	0	43	-2.0	-113.14	367.52	10.73	-102.41
CC(=O)NCC(=O)NCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087422	0	40	-2.0	-105.35	337.96	2.71	-102.64
NS(=O)(=O)C1=CC=C(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300003087423	0	38	-2.0	-111.69	346.93	3.70	-107.99
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCCC(C(F)(F)F)C2)C1	REAL300003087424	0	42	-2.0	-106.42	337.62	9.85	-96.57
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)COC2CCCCC2)C1	REAL300003087425	0	43	-2.0	-109.22	336.76	9.13	-100.09
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)COCCOC2=CC=CC=C2)C1	REAL300003087426	0	44	-2.0	-115.95	364.73	9.26	-106.69
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCOCC2CCCO2)C1	REAL300003087427	0	44	-2.0	-110.56	353.39	6.14	-104.42
COC1=CC=CC(COCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003087428	0	44	-2.0	-112.81	364.94	8.39	-104.42
COC1=CC=CC(COC(C)C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003087429	0	47	-2.0	-116.75	379.58	9.26	-107.49
CCOC1=CC=C(CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003087430	0	46	-2.0	-108.74	373.55	9.66	-99.08
CC(CC1CCCCC1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087431	0	48	-2.0	-107.69	354.80	10.70	-96.99
CCC(CC1CCCCC1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087432	0	51	-2.0	-108.51	371.04	11.27	-97.24
CC(CC1CCCC1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087433	0	45	-2.0	-108.02	339.71	10.04	-97.98
CCC(CC1CCCC1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087434	0	48	-2.0	-109.85	356.81	9.85	-100.00
CC1=NN(C)C=C1CCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087435	0	42	-2.0	-110.76	345.72	7.78	-102.98
CC1=CC=CC=C1C(C)CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087436	0	45	-2.0	-108.47	352.63	10.38	-98.09
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=COC(C3=CC=C(F)C=C3)=N2)C1	REAL300003087437	0	42	-2.0	-113.90	362.59	8.23	-105.67
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC2CCOCC2)C1	REAL300003087438	0	43	-2.0	-106.65	333.66	8.17	-98.48
CC(C)C1=NOC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003087439	0	38	-2.0	-107.02	314.19	8.02	-99.00
CC1=C2NC=C(CC(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C2=CC=C1	REAL300003087440	0	43	-2.0	-117.26	353.93	9.33	-107.93
CC(C)CCCCCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087441	0	47	-2.0	-107.00	365.84	10.05	-96.95
CCCCCC(C)CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087442	0	47	-2.0	-106.95	361.56	10.83	-96.12
CC1=NC=C(Cl)C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300003087443	0	34	-2.0	-105.99	297.99	7.58	-98.41
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2SCCC3=CC=CC=C32)C1	REAL300003087444	0	41	-2.0	-118.13	335.55	9.68	-108.45
CCCCC(CC)CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087445	0	47	-2.0	-106.59	353.59	10.38	-96.21
CN1C(=O)NC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C1=O	REAL300003087446	0	36	-2.0	-112.14	306.50	5.78	-106.36
CN1C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC2=CC(C(F)(F)F)=CC=C21	REAL300003087447	0	43	-2.0	-108.37	361.97	11.02	-97.35
CC1=C2C=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])NC2=CC(F)=C1	REAL300003087448	0	40	-2.0	-107.24	338.54	9.55	-97.69
CC1=CC=C2NC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=CC2=C1C	REAL300003087449	0	43	-2.0	-111.63	345.09	10.35	-101.28
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])SC(C2=CN(C)N=C2)=N1	REAL300003087450	0	42	-2.0	-113.10	364.37	7.79	-105.31
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC(OC3=NC=CS3)=C2)C1	REAL300003087451	0	40	-2.0	-121.22	350.16	6.35	-114.87
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C=CC2=CSC(Br)=C2)C1	REAL300003087452	0	34	-2.0	-108.46	321.51	8.86	-99.60
CC(CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC(F)=C1	REAL300003087453	0	42	-2.0	-106.39	339.98	9.78	-96.61
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CC2C2=C(F)C=CC=C2F)C1	REAL300003087454	0	40	-2.0	-114.55	335.27	10.68	-103.87
CC(CCC1=CC=CC=C1F)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087455	0	45	-2.0	-110.01	365.73	10.64	-99.37
CC(C)C1=CC=C2C=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])NC2=C1	REAL300003087456	0	46	-2.0	-110.78	371.44	10.76	-100.02
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(CN3CCCCC3=O)C=C2)C1	REAL300003087457	0	50	-2.0	-115.23	394.31	10.92	-104.31
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC3=CC=CC=C3NC2=O)C1	REAL300003087458	0	42	-2.0	-119.11	350.69	8.64	-110.47
CC(C)S(=O)(=O)CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087459	0	38	-2.0	-117.61	320.83	4.18	-113.43
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])N=NN1C1=CC=CC(Cl)=C1	REAL300003087460	0	42	-2.0	-125.78	362.04	8.86	-116.92
CC1(C)CC(=O)C2=C(C1)NC(=O)C(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])=C2	REAL300003087461	0	48	-2.0	-133.65	379.50	6.94	-126.71
CC1=CC=C(CCC(=O)NCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003087462	0	49	-2.0	-104.74	402.11	9.49	-95.25
CC(=CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC=C1Cl	REAL300003087463	0	40	-2.0	-114.52	344.88	10.41	-104.11
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(N3C=CC=N3)C(F)=C2)C1	REAL300003087464	0	40	-2.0	-112.71	339.18	8.90	-103.81
CC1CCCCC1OCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087465	0	46	-2.0	-110.01	356.62	9.78	-100.23
CC1=NC=C(C=CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300003087466	0	36	-2.0	-111.60	316.91	7.11	-104.49
CC1=C(Cl)C=CC=C1OCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087467	0	40	-2.0	-107.02	344.00	9.74	-97.28
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC2=NN=CN2C2=CC=CC=C2)C1	REAL300003087468	0	45	-2.0	-110.94	373.64	11.64	-99.30
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])SC2=CC=C(F)C=C12	REAL300003087469	0	39	-2.0	-110.29	337.52	10.63	-99.66
COC1=CC=C2SC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=C(C)C2=C1	REAL300003087470	0	43	-2.0	-114.31	360.71	9.86	-104.45
COC1=CC=C(Cl)C=C1NCCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087471	0	45	-2.0	-108.79	380.93	7.48	-101.31
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CC1=CC(OC(C)C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC=C1C(C)C	REAL300003087575	0	52	-2.0	-108.59	400.47	11.34	-97.25
CC(OC1=CC=CC(F)=C1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087576	0	40	-2.0	-109.43	330.08	8.98	-100.45
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CC(SC1=CC=C([N+](=O)[O-])C=C1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087578	0	42	-2.0	-105.46	362.37	10.86	-94.60
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CC1=CC=C(SCCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1C	REAL300003087587	0	46	-2.0	-108.98	379.38	11.10	-97.88
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CC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C(C)N1CC1=CC=CO1	REAL300003087653	0	47	-2.0	-119.76	378.20	11.16	-108.60
CC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C(C)N1CC1=CC=CC=C1	REAL300003087654	0	50	-2.0	-119.95	394.65	12.93	-107.02
CS(=O)(=O)N1CCC2=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=CC=C21	REAL300003087655	0	45	-2.0	-125.50	375.56	6.36	-119.14
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CC(NC(=O)C1=COC=C1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087657	0	40	-2.0	-106.72	333.77	5.78	-100.94
CC(=O)NC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC=C1C	REAL300003087658	0	43	-2.0	-128.72	347.54	8.35	-120.37
CC(NS(=O)(=O)C1=CC=CS1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087659	0	41	-2.0	-115.85	362.20	3.75	-112.10
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COC1=CC=C(SC(C)C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003087664	0	44	-2.0	-108.78	368.13	9.71	-99.07
CC(SC1=CC=CC=C1Cl)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087665	0	40	-2.0	-107.64	347.44	9.87	-97.77
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CC(CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=C(F)C=C1	REAL300003087680	0	42	-2.0	-106.33	341.54	9.92	-96.41
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COC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1C1=CC=CC=C1	REAL300003087690	0	47	-2.0	-118.82	385.60	10.78	-108.04
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CC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C(C)N1C1=CC(C)=CC(C)=C1	REAL300003087692	0	53	-2.0	-119.45	423.79	14.00	-105.45
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COCC1=CC=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003087694	0	40	-2.0	-113.42	328.81	8.10	-105.32
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CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])SC(C2=CC=CC=C2)=N1	REAL300003087706	0	42	-2.0	-111.03	360.67	10.01	-101.02
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O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CSC(C3=CC=CC=C3)=N2)C1	REAL300003087709	0	39	-2.0	-127.13	339.62	9.21	-117.92
COC1=CC=CC(C=CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1OC(F)F	REAL300003087710	0	45	-2.0	-115.85	379.09	8.80	-107.05
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CSC2=CC=C(F)C(F)=C2)C1	REAL300003087711	0	37	-2.0	-108.02	332.04	9.27	-98.75
CC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C(C)N1C1CCCCC1	REAL300003087712	0	53	-2.0	-120.01	392.05	11.11	-108.90
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CSC(C3=CC=CS3)=N2)C1	REAL300003087713	0	39	-2.0	-116.33	355.66	9.53	-106.80
CCC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300003087714	0	36	-2.0	-110.88	309.42	9.14	-101.74
COC1=CC=C(C)C=C1CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087715	0	43	-2.0	-115.07	350.51	8.65	-106.42
C#CCNS(=O)(=O)C1=CC=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003087716	0	43	-2.0	-119.59	377.88	6.14	-113.45
C#CCNS(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003087717	0	43	-2.0	-111.44	377.28	6.07	-105.37
CC1=CC=C(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003087718	0	39	-2.0	-110.00	320.63	9.14	-100.86
CCC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])SN=N1	REAL300003087719	0	34	-2.0	-101.01	302.39	6.66	-94.35
COC1=CC=C(C)C=C1C=CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087720	0	44	-2.0	-116.07	359.55	9.22	-106.85
CC1=CC=C(C(C)C)C=C1OC(C)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087721	0	52	-2.0	-109.59	403.39	11.49	-98.10
CC1=CC=C(Cl)C(OC(C)C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003087722	0	43	-2.0	-108.68	360.55	10.07	-98.61
CC(OC1=CC=C(Cl)C(Cl)=C1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087723	0	40	-2.0	-103.05	354.93	9.85	-93.20
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)COC2=CC=C(F)C(Cl)=C2)C1	REAL300003087724	0	37	-2.0	-106.55	332.34	9.11	-97.44
CC(OC1=CC=C(C2=CC=CC=C2)C=C1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087725	0	50	-2.0	-111.28	396.58	12.57	-98.71
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C=CC2=CC=CC(Br)=C2)C1	REAL300003087726	0	37	-2.0	-108.67	331.08	9.81	-98.86
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCCNC(=O)C2=CC=C(Cl)C=C2)C1	REAL300003087727	0	46	-2.0	-111.23	395.49	8.40	-102.83
CC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C(C)N1C1=CC(C)=CC=C1	REAL300003087728	0	50	-2.0	-118.65	397.65	13.17	-105.48
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=C(CCCCC3)S2)C1	REAL300003087729	0	43	-2.0	-112.39	347.00	10.80	-101.59
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC2=CNC3=CC=CC=C23)C1	REAL300003087730	0	43	-2.0	-111.80	354.10	9.49	-102.31
CC1=CC(C)=NC(SCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300003087731	0	41	-2.0	-111.85	354.50	8.86	-102.99
CC1CCC2=C(C1)SC=C2C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087732	0	43	-2.0	-113.96	349.35	9.74	-104.22
CC1=CC(C)=NN1C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003087733	0	46	-2.0	-110.19	373.03	10.73	-99.46
CCOC1=CC=C(OCCCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003087734	0	50	-2.0	-109.24	403.51	9.23	-100.01
CCC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])SC=C1	REAL300003087735	0	36	-2.0	-111.93	306.31	8.92	-103.01
COC1=CC=C(CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C(OC)=C1OC	REAL300003087736	0	51	-2.0	-111.99	415.43	8.67	-103.32
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCCOC2=CC=CC=C2F)C1	REAL300003087737	0	43	-2.0	-112.26	357.89	10.05	-102.21
CCN1C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC2=CC=CC=C21	REAL300003087738	0	43	-2.0	-113.08	352.90	11.17	-101.91
CCOCCOC(C)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087739	0	43	-2.0	-110.81	345.69	6.64	-104.17
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(NC(=O)NC3CC3)=CC=C2)C1	REAL300003087740	0	46	-2.0	-112.92	376.73	6.86	-106.06
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CNC(=O)NC2CCCCC2)C1	REAL300003087741	0	48	-2.0	-110.59	378.05	5.48	-105.11
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CNC(=O)NCC2=CC=CO2)C1	REAL300003087742	0	42	-2.0	-110.08	356.46	3.90	-106.18
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=C3C=CC=CC3=NN2)C1	REAL300003087743	0	39	-2.0	-109.40	327.24	8.15	-101.25
CC1=CC=C(CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])O1	REAL300003087744	0	39	-2.0	-109.61	324.84	8.36	-101.25
CCCCSC(C)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087745	0	42	-2.0	-106.97	343.39	8.98	-97.99
CC1=C(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])N=NN1C1=CC=CC=C1	REAL300003087746	0	45	-2.0	-116.83	372.32	9.73	-107.10
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])N=NN1C1=CC=CC=C1	REAL300003087747	0	42	-2.0	-117.82	345.33	9.19	-108.63
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])N=NN1C1=CC=C(C)C=C1	REAL300003087748	0	45	-2.0	-125.22	368.44	9.04	-116.18
CC(CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC=C1Br	REAL300003087749	0	42	-2.0	-109.46	352.81	10.37	-99.09
CC1=CC=C(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300003087750	0	36	-2.0	-107.33	312.46	9.49	-97.84
CC(CCC1=CC=CC(F)=C1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087751	0	45	-2.0	-109.37	362.35	11.41	-97.96
CC1=CC2=C(C=C1C)OC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C2	REAL300003087752	0	44	-2.0	-111.04	348.91	9.82	-101.22
CC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=C(Br)S1	REAL300003087753	0	36	-2.0	-104.09	331.34	9.91	-94.18
CCCOC1=CC=C(CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003087754	0	49	-2.0	-108.55	395.05	10.46	-98.09
CC1CCC(CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])O1	REAL300003087755	0	43	-2.0	-111.65	339.95	7.52	-104.13
CC(=CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300003087756	0	43	-2.0	-108.99	368.57	10.97	-98.02
CCC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300003087757	0	41	-2.0	-109.46	335.68	10.39	-99.07
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCCC2CCCC2)C1	REAL300003087758	0	45	-2.0	-106.31	347.48	10.75	-95.56
CC(CCOC1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087759	0	46	-2.0	-109.94	368.63	9.43	-100.51
CCC(OC1=CC=CC=C1F)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087760	0	43	-2.0	-111.47	343.27	9.44	-102.03
CC1=C(C)C=C2OC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=CC2=C1	REAL300003087761	0	42	-2.0	-114.48	342.24	10.40	-104.08
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])SC(C2CCCC2)=N1	REAL300003087762	0	45	-2.0	-108.79	367.55	9.69	-99.10
COC1=CC=C(C2=NC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])S2)C=C1	REAL300003087763	0	43	-2.0	-109.26	370.25	8.86	-100.40
CC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])N1N=NC(C2=CC=CC=C2)=N1	REAL300003087764	0	44	-2.0	-111.77	366.52	8.71	-103.06
CCC1=CC=C(C2=CC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])O2)C=C1	REAL300003087765	0	46	-2.0	-117.95	379.39	12.03	-105.92
CC1=C(C2=CC=CC=C2)C=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C(=O)N1	REAL300003087766	0	46	-2.0	-125.01	381.25	8.64	-116.37
CN(CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC=C1[N+](=O)[O-]	REAL300003087767	0	43	-2.0	-115.26	356.66	9.38	-105.88
CC(C)C1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=NN1C	REAL300003087768	0	42	-2.0	-119.24	338.02	8.72	-110.52
CC(C)CC(C)OCCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087769	0	48	-2.0	-107.63	376.05	8.55	-99.08
CC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300003087770	0	39	-2.0	-102.27	344.23	10.58	-91.69
CC1=CC=C(N2N=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C3=C2CCC3)C=C1	REAL300003087771	0	50	-2.0	-128.69	402.81	12.84	-115.85
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CN2N=CC3=CC=CC=C3C2=O)C1	REAL300003087772	0	41	-2.0	-128.82	347.17	8.60	-120.22
CCN1C(=O)NC2=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=CC=C2C1=O	REAL300003087773	0	45	-2.0	-108.29	370.56	6.99	-101.30
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CN2C=C(Br)C=CC2=O)C1	REAL300003087774	0	36	-2.0	-114.18	325.81	8.75	-105.43
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])N=C(C2=CC=CS2)O1	REAL300003087775	0	39	-2.0	-124.97	343.31	7.11	-117.86
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(OC3CCOCC3)C=C2)C1	REAL300003087776	0	48	-2.0	-110.86	376.00	9.00	-101.86
CC1CCC(NS(=O)(=O)CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300003087777	0	50	-2.0	-114.15	392.78	6.19	-107.96
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCC(NC(=O)C3CCCC3)CC2)C1	REAL300003087778	0	56	-2.0	-115.95	425.13	10.07	-105.88
CC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C2NN=CC2=C1	REAL300003087779	0	39	-2.0	-115.29	327.90	8.11	-107.18
CC1=CC2=CNN=C2C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003087779	1	39	-2.0	-127.27	324.24	6.91	-120.36
CC1=NOC(C)=C1C(C)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087780	0	41	-2.0	-103.19	323.29	8.30	-94.89
CC(C)(C)C1=NC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CS1	REAL300003087781	0	41	-2.0	-119.17	342.28	8.95	-110.22
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC(N3C=CC=N3)=C2)C1	REAL300003087782	0	40	-2.0	-121.71	331.49	9.76	-111.95
CCCNC(=O)NC1=CC=C(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003087783	0	51	-2.0	-117.29	413.44	7.59	-109.70
O=C(CCC1CCCC1)NCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087784	0	49	-2.0	-103.95	385.00	8.41	-95.54
CC1=NC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=NN1C1=CC=C(F)C=C1	REAL300003087785	0	42	-2.0	-121.45	356.35	10.05	-111.40
COCCN1N=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=CC1=O	REAL300003087786	0	42	-2.0	-107.49	351.76	6.05	-101.44
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CSC(C3=CC=C(Cl)C=C3)=N2)C1	REAL300003087787	0	39	-2.0	-118.28	353.84	10.62	-107.66
CC1=NC(CSCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CS1	REAL300003087788	0	39	-2.0	-112.00	351.96	7.78	-104.22
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CN2N=NC3=CC=CC=C3C2=O)C1	REAL300003087789	0	40	-2.0	-122.30	342.23	7.17	-115.13
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC2=CN(C3=CC=CC=C3)N=C2)C1	REAL300003087790	0	46	-2.0	-112.50	379.46	10.47	-102.03
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCSC2=CC=CC=C2F)C1	REAL300003087791	0	40	-2.0	-106.69	346.26	10.88	-95.81
CC1=C(C)C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C(C)O1	REAL300003087792	0	39	-2.0	-112.44	325.02	9.11	-103.33
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=CC(Cl)=CC=C3OC2)C1	REAL300003087793	0	39	-2.0	-108.06	338.08	9.78	-98.28
CC1CC1C1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])O1	REAL300003087794	0	44	-2.0	-112.17	362.53	10.33	-101.84
CC1=C2C(CC(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=CNC2=CC=C1	REAL300003087795	0	43	-2.0	-111.59	345.76	9.78	-101.81
CN(C)C(=O)CCCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087796	0	42	-2.0	-115.36	339.66	6.70	-108.66
CCCN(CCC)C(=O)CCCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087797	0	54	-2.0	-114.89	424.44	10.14	-104.75
CCCN(CCC)C(=O)CCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087798	0	51	-2.0	-113.74	402.94	9.36	-104.38
CCNC(=O)CCCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087799	0	42	-2.0	-115.14	343.38	5.59	-109.55
CCNC(=O)CCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087800	0	39	-2.0	-112.77	321.88	4.81	-107.96
CCCNC(=O)CCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087801	0	42	-2.0	-112.72	343.38	5.57	-107.15
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])SC(C2=NNC=N2)=N1	REAL300003087802	0	38	-2.0	-114.90	336.35	7.08	-107.82
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])N=NN1C1=CC=CC=C1Cl	REAL300003087803	0	42	-2.0	-129.05	361.66	9.01	-120.04
CCCNC(=O)CCCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087804	0	45	-2.0	-115.04	364.88	6.35	-108.69
CC(C)NC(=O)CCCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087805	0	45	-2.0	-115.36	364.01	6.39	-108.97
NC(=O)C1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=NN1C1=CC=CC=C1	REAL300003087806	0	44	-2.0	-120.78	365.41	7.11	-113.67
COC1=CC=CC=C1C(C)CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087807	0	46	-2.0	-112.03	363.03	9.23	-102.80
CC(CC1=CC=C(Cl)C=C1Cl)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087808	0	42	-2.0	-110.79	365.71	10.58	-100.21
CCOC1=CN(C2=CC=CC=C2)N=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087809	0	47	-2.0	-133.59	388.58	9.78	-123.81
CC1=CC=C(C(C)C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003087810	0	42	-2.0	-115.33	335.18	9.62	-105.71
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC(C2=CC=CC=C2)C(F)(F)F)C1	REAL300003087811	0	42	-2.0	-101.36	350.44	10.72	-90.64
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CN2CC3=CC=CC=C3C2=O)C1	REAL300003087812	0	41	-2.0	-123.52	344.61	8.37	-115.15
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2OCCC3=C2SC=C3)C1	REAL300003087813	0	41	-2.0	-112.99	341.70	8.52	-104.47
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2OCCC3=CC=CC=C32)C1	REAL300003087814	0	44	-2.0	-113.38	348.49	9.42	-103.96
CC(SC1=CC=C(Cl)C=C1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087815	0	40	-2.0	-105.80	355.38	10.94	-94.86
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CSC2=CC=C(F)C=C2)C1	REAL300003087816	0	37	-2.0	-104.06	325.21	10.15	-93.91
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CSC3=C2CCCC3)C1	REAL300003087817	0	40	-2.0	-114.41	327.13	9.14	-105.27
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCCC2=CC=CS2)C1	REAL300003087818	0	39	-2.0	-108.15	333.92	9.31	-98.84
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C=CC2=CC=C(Br)C=C2)C1	REAL300003087819	0	37	-2.0	-107.38	330.29	10.73	-96.65
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCSC2=CC=C(F)C=C2)C1	REAL300003087820	0	40	-2.0	-104.01	346.94	10.92	-93.09
CCC1=C(C)C=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300003087821	0	39	-2.0	-111.74	327.70	9.69	-102.05
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CSC2=CC=CC=C2Cl)C1	REAL300003087822	0	37	-2.0	-108.35	334.50	9.65	-98.70
CC1=CC=C(SCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003087823	0	40	-2.0	-108.53	340.88	9.88	-98.65
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C=CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300003087824	0	40	-2.0	-106.30	347.70	11.09	-95.21
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCNC(=O)CC2=CC=CC=C2)C1	REAL300003087825	0	46	-2.0	-113.24	381.89	7.76	-105.48
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2SCCC3=C2C=CS3)C1	REAL300003087826	0	38	-2.0	-114.52	329.31	9.01	-105.51
CC(C)OCCS(=O)(=O)NCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087827	0	47	-2.0	-110.35	394.09	3.70	-106.65
CCC1=CC=C(C(C)C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003087828	0	45	-2.0	-109.10	358.04	10.30	-98.80
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C3NC(C(F)F)=NC3=C2)C1	REAL300003087829	0	39	-2.0	-114.81	337.95	7.43	-107.38
CC(C)C1=NC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CS1	REAL300003087830	0	38	-2.0	-122.25	324.42	7.49	-114.76
CC(C)(C)C1=NC(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CS1	REAL300003087831	0	44	-2.0	-110.85	367.08	9.07	-101.78
CC(=O)N(CCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])CC1=CC=CC=C1	REAL300003087832	0	49	-2.0	-107.92	397.50	10.03	-97.89
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CN2C3=CC=CC=C3CCCC2=O)C1	REAL300003087833	0	47	-2.0	-115.92	370.44	10.81	-105.11
CC1(C)CCC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C2=CC=CC=C21	REAL300003087834	0	49	-2.0	-116.99	369.58	10.75	-106.24
COC1=CC=CC=C1C1CC1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087835	0	44	-2.0	-107.92	347.27	9.89	-98.03
CCN(CC)C(=O)CCCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087836	0	48	-2.0	-115.17	381.44	8.63	-106.54
CC1=NN(CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300003087837	0	44	-2.0	-108.32	375.65	8.40	-99.92
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NN(C3=CC=CC=C3)C(C3CC3)=N2)C1	REAL300003087838	0	46	-2.0	-127.11	378.27	11.88	-115.23
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCOC3=CC=CC=C32)C1	REAL300003087839	0	41	-2.0	-111.34	327.12	8.11	-103.23
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC2=CC=CC=C2OC(F)(F)F)C1	REAL300003087840	0	43	-2.0	-109.05	367.01	9.29	-99.76
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC2=CC=C(OC(F)(F)F)C=C2)C1	REAL300003087841	0	43	-2.0	-106.86	368.19	9.23	-97.63
CC(CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC=C1F	REAL300003087842	0	42	-2.0	-110.80	340.17	9.88	-100.92
CN1C=CC2=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=CC=C21	REAL300003087843	0	40	-2.0	-124.07	325.70	10.32	-113.75
COC1=CC=CC=C1C(C)=CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087844	0	44	-2.0	-115.66	358.78	9.32	-106.34
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN=C(C3=CC=CO3)S2)C1	REAL300003087845	0	36	-2.0	-111.54	324.02	7.62	-103.92
CCN(C)C(=O)C1=CC=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003087846	0	46	-2.0	-121.32	367.13	9.41	-111.91
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(CN3C=CC=C3)C=C2)C1	REAL300003087847	0	44	-2.0	-114.00	362.49	12.12	-101.88
CC1=C(C2=CC=CC=C2)OC(CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300003087848	0	48	-2.0	-112.15	398.79	8.52	-103.63
CC1=C(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C(=O)N2N=CC=C2N1	REAL300003087849	0	42	-2.0	-126.65	349.67	6.91	-119.74
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=COC(C3=CC=C(Cl)C=C3)=N2)C1	REAL300003087850	0	42	-2.0	-113.91	372.91	8.68	-105.23
CC(=O)C1=CSC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003087851	0	35	-2.0	-115.16	310.58	8.20	-106.96
COC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])SC=C1	REAL300003087852	0	34	-2.0	-118.23	296.17	6.96	-111.27
CC1=CC=C(C2=CC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C(F)=C2)C=C1C	REAL300003087853	0	49	-2.0	-116.71	389.17	13.26	-103.45
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(C3=CC=C(F)C=C3)C=C2F)C1	REAL300003087854	0	43	-2.0	-115.03	357.19	12.13	-102.90
CC1=CC=C(C2=CC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C(F)=C2)C=C1	REAL300003087855	0	46	-2.0	-116.53	372.25	12.76	-103.77
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC=CC(Cl)=C2)C1	REAL300003087856	0	36	-2.0	-106.79	317.08	10.09	-96.70
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCCC2=CC=CC=C2)C1	REAL300003087857	0	42	-2.0	-108.86	343.68	10.22	-98.64
CC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1Cl	REAL300003087858	0	36	-2.0	-108.96	308.58	9.66	-99.30
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C(Br)C=CS2)C1	REAL300003087859	0	30	-2.0	-110.11	284.31	8.31	-101.80
COC1=CC=C(CCCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003087860	0	46	-2.0	-108.94	372.70	10.47	-98.47
CC1=CC=C(C)C(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003087861	0	42	-2.0	-108.87	338.51	10.73	-98.14
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(C3=CC=CC=C3Cl)=NN2)C1	REAL300003087862	0	40	-2.0	-109.11	346.33	9.66	-99.45
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NNC(C3=CC=CC=C3Cl)=C2)C1	REAL300003087862	1	40	-2.0	-120.32	349.64	8.51	-111.81
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=CC=CC([N+](=O)[O-])=C3N2)C1	REAL300003087863	0	39	-2.0	-115.96	337.25	9.60	-106.36
CC(C)C1=NNC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003087864	0	39	-2.0	-105.67	316.56	6.31	-99.36
CC(C)C1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=NN1	REAL300003087864	1	39	-2.0	-115.12	318.27	7.58	-107.54
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(C3=CC=C(F)C=C3)=NN2)C1	REAL300003087865	0	40	-2.0	-104.62	340.40	8.06	-96.56
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CC(OC1=CC=CC=C1Cl)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087869	0	40	-2.0	-108.65	339.14	9.39	-99.26
CC1=CC(Br)=CC=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087870	0	36	-2.0	-105.75	314.78	9.58	-96.17
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CC1=CC(F)=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003087873	0	36	-2.0	-111.60	302.48	9.33	-102.27
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CCN1N=C(C)C=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087875	0	39	-2.0	-108.73	315.26	6.67	-102.06
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CC1=CC=CC=C1CCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087879	0	42	-2.0	-108.57	337.56	9.91	-98.66
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CC1=CC=C(F)C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003087887	0	36	-2.0	-114.33	303.72	8.33	-106.00
CC(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003087888	0	38	-2.0	-108.74	314.56	9.00	-99.74
CCOC1=CC=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003087889	0	40	-2.0	-113.17	327.19	7.88	-105.29
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CC1=C(Br)C=CC=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087891	0	36	-2.0	-107.92	311.87	9.48	-98.44
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CCCCC1CCC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300003087894	0	51	-2.0	-109.00	383.28	10.84	-98.16
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CC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300003087896	0	38	-2.0	-106.67	319.60	8.84	-97.83
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COC1=CC=C(CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003087898	0	43	-2.0	-108.88	351.70	8.74	-100.14
CC1=CC=CC(OC(C)C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003087899	0	43	-2.0	-109.47	345.13	9.58	-99.89
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CCCCOC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1OCC	REAL300003087903	0	53	-2.0	-112.11	422.87	10.36	-101.75
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CC(NS(=O)(=O)C1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087908	0	44	-2.0	-106.19	370.86	4.73	-101.46
CC1=NN(C2=CC=CC=C2)C(C)=C1C=CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087909	0	50	-2.0	-117.05	411.02	11.45	-105.60
CCCOC1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1OC	REAL300003087910	0	51	-2.0	-111.74	411.64	10.08	-101.66
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC2=CC=CC(Br)=C2)C1	REAL300003087911	0	39	-2.0	-105.07	343.04	11.01	-94.06
COC1=CC=C2C=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])NC2=C1	REAL300003087912	0	41	-2.0	-111.46	340.80	8.14	-103.32
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCCC2=CC=C(Cl)C(Cl)=C2)C1	REAL300003087913	0	42	-2.0	-107.96	375.61	11.19	-96.77
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC=C(N3C=CC=N3)C=C2)C1	REAL300003087914	0	43	-2.0	-113.62	359.15	9.83	-103.79
CC1=CC(C)=NN1C1=CC=C(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003087915	0	49	-2.0	-114.36	399.92	10.82	-103.54
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NN(C3=CC=C([N+](=O)[O-])C=C3)C=C2)C1	REAL300003087916	0	42	-2.0	-125.93	362.14	10.00	-115.93
CC1=CC=C(C2=NNC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=C2)O1	REAL300003087917	0	40	-2.0	-107.44	339.76	6.97	-100.47
CC1=CC(C)=NN1C(C)CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087918	0	45	-2.0	-111.09	360.88	8.31	-102.78
CCOC1=CC=CC=C1C1=NNC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003087919	0	47	-2.0	-111.93	383.00	9.46	-102.47
CCOC1=CC=CC=C1C1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=NN1	REAL300003087919	1	47	-2.0	-118.66	386.88	9.58	-109.08
CC(C)(C)N1N=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1C1CC1	REAL300003087920	0	49	-2.0	-127.25	381.85	9.71	-117.54
CC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=NN1C(C)(C)C	REAL300003087921	0	45	-2.0	-122.15	349.74	9.05	-113.10
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C(Cl)N=CS2)C1	REAL300003087922	0	29	-2.0	-105.70	277.06	6.11	-99.59
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])OC(Br)=C1	REAL300003087923	0	33	-2.0	-107.66	296.79	8.11	-99.55
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C3NC(=O)C4=CC=CC=C4N3N=C2)C1	REAL300003087924	0	42	-2.0	-114.98	351.45	8.46	-106.52
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC2=NC(C3=NC=CC=N3)=NO2)C1	REAL300003087925	0	42	-2.0	-116.42	363.78	5.32	-111.10
CCN1C=C(Br)C=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087926	0	37	-2.0	-114.26	319.58	8.40	-105.86
CC(C)N1C=C(Br)C=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087927	0	40	-2.0	-114.20	338.35	8.94	-105.26
CC1=NN(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C(C)=C1Cl	REAL300003087928	0	39	-2.0	-107.17	340.56	7.54	-99.63
CCCS(=O)(=O)CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087930	0	38	-2.0	-118.01	325.27	4.38	-113.63
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O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(OCC3CC3)C=C2)C1	REAL300003087932	0	44	-2.0	-109.38	356.84	10.37	-99.01
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CNC2=CC=CC=C2[N+](=O)[O-])C1	REAL300003087933	0	40	-2.0	-111.74	339.14	7.77	-103.97
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCOCC2=CC=CC=C2)C1	REAL300003087934	0	43	-2.0	-108.50	356.22	8.73	-99.77
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)COC2=CC=C(Cl)C=C2Cl)C1	REAL300003087935	0	37	-2.0	-106.25	342.67	9.64	-96.61
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC([N+](=O)[O-])=C2)C1	REAL300003087936	0	35	-2.0	-108.51	300.65	9.19	-99.32
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC=C2Br)C1	REAL300003087937	0	33	-2.0	-111.64	288.22	9.04	-102.60
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC=CC3=CC=CC=C32)C1	REAL300003087938	0	42	-2.0	-112.29	342.78	11.69	-100.60
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CNC(=O)C2=CC=CC=C2)C1	REAL300003087939	0	40	-2.0	-106.89	334.69	7.33	-99.56
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(Br)C=C2)C1	REAL300003087940	0	33	-2.0	-106.09	295.19	9.18	-96.91
CC1=CC=C(C)C(SCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003087941	0	43	-2.0	-109.56	359.39	10.44	-99.12
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(Cl)C=C2)C1	REAL300003087942	0	33	-2.0	-106.22	290.62	9.08	-97.14
CC(C)(C)C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003087943	0	45	-2.0	-111.80	350.02	10.88	-100.92
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C([N+](=O)[O-])C=C2)C1	REAL300003087944	0	35	-2.0	-101.93	302.07	9.23	-92.70
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(OC3=CC=CC=C3)C=C2)C1	REAL300003087945	0	44	-2.0	-110.07	362.77	11.46	-98.61
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(C(F)(F)F)C=C2)C1	REAL300003087946	0	36	-2.0	-104.85	312.60	9.56	-95.29
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300003087947	0	33	-2.0	-114.15	294.25	8.23	-105.92
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC(C(F)(F)F)=C2)C1	REAL300003087948	0	36	-2.0	-107.80	314.89	8.67	-99.13
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])C1	REAL300003087949	0	35	-2.0	-114.59	314.20	9.81	-104.78
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C=CC2=CC=C([N+](=O)[O-])C=C2)C1	REAL300003087950	0	39	-2.0	-106.13	337.17	10.77	-95.36
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=CC=CC=C3C=C2)C1	REAL300003087951	0	39	-2.0	-114.65	319.14	10.82	-103.83
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C3NC4=C(CCCC4)C3=C2)C1	REAL300003087952	0	47	-2.0	-114.59	377.18	11.12	-103.47
CC(NC(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003087953	0	45	-2.0	-105.67	380.28	8.45	-97.22
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCCC2=NC3=CC=CC=C3C(=O)N2)C1	REAL300003087954	0	47	-2.0	-114.96	387.77	9.64	-105.32
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC=C3CCCC3=C2)C1	REAL300003087955	0	43	-2.0	-110.08	345.86	11.49	-98.59
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CC3=CC=CC=C3O2)C1	REAL300003087956	0	38	-2.0	-111.89	312.42	8.71	-103.18
CC1CC1C1=CC=C(CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])O1	REAL300003087957	0	46	-2.0	-110.63	375.02	10.62	-100.01
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=CC(Cl)=CC=C3N2)C1	REAL300003087958	0	37	-2.0	-106.47	324.13	9.69	-96.78
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(NC(=O)C3=CC=CC=C3)C=C2)C1	REAL300003087959	0	47	-2.0	-116.89	386.08	10.61	-106.28
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CC1=CC(NC(=O)C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=NO1	REAL300003088020	0	36	-2.0	-109.87	307.30	5.32	-104.55
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CC1=CC=C(C2=NC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=CS2)O1	REAL300003088025	0	39	-2.0	-124.44	344.53	8.92	-115.52
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CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])SC(CC2=CC=CC=C2)=N1	REAL300003088028	0	45	-2.0	-108.58	384.26	10.74	-97.84
CCOC1=CC=C2C=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])NC2=C1	REAL300003088029	0	44	-2.0	-111.26	362.66	9.07	-102.19
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CSC(CC3=CC=CC=C3)=N2)C1	REAL300003088030	0	42	-2.0	-121.85	361.26	10.65	-111.20
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(=O)NC3=CC(F)=CC=C32)C1	REAL300003088031	0	39	-2.0	-109.48	336.53	7.65	-101.83
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C(Br)C3=CC=CC=C3N2)C1	REAL300003088032	0	37	-2.0	-109.17	325.67	9.73	-99.44
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])OC2=C1C(=O)CCC2	REAL300003088033	0	42	-2.0	-115.67	339.91	8.34	-107.33
CN1C2=CC=CC=C2C(Cl)=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088034	0	40	-2.0	-112.35	350.17	9.65	-102.70
CCCC1=NOC(CCCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300003088035	0	46	-2.0	-110.68	378.25	7.19	-103.49
COC1=CC=C2C(=C1)C=CN2CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088036	0	44	-2.0	-109.45	362.82	10.28	-99.17
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCCC2=NC=C(C3=CC=CC=C3)O2)C1	REAL300003088037	0	48	-2.0	-113.99	398.38	9.65	-104.34
CC(C)=CC(=O)NCC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003088038	0	50	-2.0	-111.93	405.86	9.70	-102.23
CCS(=O)(=O)NCC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003088039	0	47	-2.0	-122.60	395.30	6.28	-116.32
CC(C)CNC(=O)N1CCCC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C1	REAL300003088040	0	54	-2.0	-126.20	409.71	7.94	-118.26
C=CCNS(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003088041	0	45	-2.0	-110.64	384.31	6.13	-104.51
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC3=CC=CC=C3C=C2)C1	REAL300003088042	0	42	-2.0	-111.40	346.46	11.84	-99.56
CCOC1=CC=CC=C1C=CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088043	0	44	-2.0	-116.65	360.00	9.48	-107.17
CC(C)COC1=CC=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003088044	0	46	-2.0	-112.96	368.80	9.38	-103.58
CC(OC1=CC=CC(Cl)=C1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088045	0	40	-2.0	-108.77	340.40	9.41	-99.36
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C=CC2=CC=CC=C2Br)C1	REAL300003088046	0	37	-2.0	-112.02	328.07	9.69	-102.33
CC1=CC=CC(C=CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003088047	0	40	-2.0	-112.14	331.19	9.85	-102.29
CC(CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300003088048	0	45	-2.0	-106.11	373.87	10.87	-95.24
CC(=O)NC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC=C1F	REAL300003088049	0	40	-2.0	-116.58	337.28	6.70	-109.88
CCS(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003088050	0	42	-2.0	-113.79	356.02	7.00	-106.79
CC(C)CCSCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088051	0	42	-2.0	-107.06	345.87	9.11	-97.95
CCCCOC(C)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088052	0	42	-2.0	-107.54	333.21	7.99	-99.55
CC(C)CCOC(C)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088053	0	45	-2.0	-107.59	350.78	8.51	-99.08
CC(OCC1CCCCO1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088054	0	47	-2.0	-111.60	365.40	7.72	-103.88
CC(OCC1CCCO1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088055	0	44	-2.0	-119.66	347.05	6.87	-112.79
CC1=CC=C(CCCCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003088056	0	48	-2.0	-107.08	386.15	12.64	-94.44
CC1=CC=C(C)C(OCCCCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003088057	0	52	-2.0	-107.87	414.70	12.19	-95.68
CC1=CC=CC(OCCCCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003088058	0	49	-2.0	-109.70	395.07	10.48	-99.22
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CC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC(F)=C1	REAL300003088114	0	39	-2.0	-104.71	318.73	9.68	-95.03
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CC1=CC([N+](=O)[O-])=CC=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088118	0	38	-2.0	-101.53	321.67	9.63	-91.90
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CCC(C)C(=O)N1CCCC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C1	REAL300003088124	0	52	-2.0	-121.06	392.82	9.65	-111.41
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COC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300003088126	0	39	-2.0	-107.72	332.93	8.47	-99.25
CC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1C	REAL300003088127	0	39	-2.0	-115.33	315.71	8.85	-106.48
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300003088128	0	38	-2.0	-105.71	315.21	8.61	-97.10
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC(C2=CC=CC=C2)C2=CC=CC=C2)C1	REAL300003088129	0	49	-2.0	-110.48	387.56	12.37	-98.11
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CCC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC=C1	REAL300003088131	0	42	-2.0	-108.05	336.72	10.62	-97.43
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O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C(Cl)C3=CC=CC=C3S2)C1	REAL300003088133	0	36	-2.0	-113.88	328.41	10.48	-103.40
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O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC=C(Br)C=C2)C1	REAL300003088135	0	36	-2.0	-106.71	320.52	9.09	-97.62
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC2CCCCC2)C1	REAL300003088136	0	45	-2.0	-106.23	342.52	10.55	-95.68
CC1=CC=C(C(=O)NCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300003088137	0	40	-2.0	-110.31	349.09	6.19	-104.12
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CSC2CCS(=O)(=O)C2)C1	REAL300003088138	0	40	-2.0	-116.03	347.75	4.86	-111.17
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COC1=CC=C(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1F	REAL300003088140	0	40	-2.0	-107.34	336.08	8.95	-98.39
CC(C)CC1=CC=C(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003088141	0	48	-2.0	-109.74	381.95	11.31	-98.43
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CC1=NN(C2=CC=CC=C2)C(C)=C1CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088143	0	49	-2.0	-113.46	397.40	11.50	-101.96
CC1=CC=NN1C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003088144	0	43	-2.0	-110.00	350.41	10.17	-99.83
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CC(CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])NC(=O)C1=CC=CC=C1	REAL300003088156	0	46	-2.0	-111.52	376.13	8.21	-103.31
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CC(C)C1=CC=C(OCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003088158	0	46	-2.0	-109.06	370.07	10.52	-98.54
COC1=CN(C2=CC=CC=C2)N=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088159	0	44	-2.0	-133.12	366.21	8.83	-124.29
CC(=O)NCC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003088160	0	43	-2.0	-112.28	355.80	7.58	-104.70
CC(=O)NC1=CC=C(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003088161	0	43	-2.0	-117.22	355.31	7.37	-109.85
CC(C)(C)C1=CC=CC=C1OCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088162	0	49	-2.0	-110.54	381.04	11.12	-99.42
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCS(=O)(=O)C2)C1	REAL300003088163	0	36	-2.0	-110.89	303.05	4.38	-106.51
CC1=CC2=CC=CC=C2N1CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088164	0	43	-2.0	-111.72	352.58	11.47	-100.25
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=C(S2)C2=C(C=CC=C2)S3)C1	REAL300003088165	0	39	-2.0	-112.96	350.96	11.48	-101.48
CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088166	0	48	-2.0	-117.08	380.22	11.55	-105.53
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCCOC2=CC=C(Cl)C=C2)C1	REAL300003088167	0	43	-2.0	-106.60	368.44	10.50	-96.10
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCCOC2=CC=CC3=CC=CC=C32)C1	REAL300003088168	0	49	-2.0	-111.61	396.70	12.31	-99.30
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=NN1C1=CC=CC=C1C	REAL300003088169	0	46	-2.0	-114.79	368.18	11.09	-103.70
COC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC=C1OC1CCCC1	REAL300003088170	0	51	-2.0	-111.72	398.85	9.73	-101.99
COCCSCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088171	0	37	-2.0	-107.09	319.14	6.14	-100.95
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CNC(=O)CC2=CC=CC(F)=C2)C1	REAL300003088172	0	43	-2.0	-105.26	365.72	8.08	-97.18
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CN2CCCCCCC2=O)C1	REAL300003088173	0	46	-2.0	-118.16	340.19	9.00	-109.16
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=CC(Br)=CC=C3N2)C1	REAL300003088174	0	37	-2.0	-106.28	328.69	9.80	-96.48
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC(OCC3=CC=CS3)=C2)C1	REAL300003088175	0	44	-2.0	-115.05	375.65	10.97	-104.08
CN1C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC(Cl)=C1Cl	REAL300003088176	0	34	-2.0	-102.91	310.57	8.81	-94.10
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCN2CCCS2(=O)=O)C1	REAL300003088177	0	41	-2.0	-120.55	343.91	4.92	-115.63
CCCOC1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003088178	0	47	-2.0	-110.01	381.76	11.14	-98.87
CC(=CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC=C1	REAL300003088179	0	40	-2.0	-109.23	329.15	10.74	-98.49
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCCC3=CC=CC=C32)C1	REAL300003088180	0	43	-2.0	-105.81	331.50	10.60	-95.21
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCCC2=NC(C3=CC=CS3)=NO2)C1	REAL300003088181	0	44	-2.0	-113.35	385.50	7.86	-105.49
CC1=NC(C2=CC=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=C2)=CS1	REAL300003088182	0	42	-2.0	-117.46	360.72	9.07	-108.39
CC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])S(C)(=O)=O	REAL300003088183	0	35	-2.0	-123.80	296.70	4.09	-119.71
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CS(=O)(=O)CCCC2=CC=CC=C2)C1	REAL300003088184	0	48	-2.0	-120.08	406.68	8.18	-111.90
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CS(=O)(=O)C2CCCC2)C1	REAL300003088185	0	42	-2.0	-121.71	345.26	6.40	-115.31
CC(C)OC1=CC=CC=C1CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088186	0	46	-2.0	-113.02	368.09	10.30	-102.72
NC(=O)C1=CC=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003088187	0	37	-2.0	-121.59	307.72	5.34	-116.25
C=CCOC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003088188	0	41	-2.0	-109.44	338.08	9.37	-100.07
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CNC(=O)NCC2=CC=C(Cl)C=C2)C1	REAL300003088189	0	45	-2.0	-108.50	392.44	6.30	-102.20
CC(C)CCC(=O)NCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088190	0	45	-2.0	-103.89	359.86	7.08	-96.81
CC1CC(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CC(C)(C)C1	REAL300003088191	0	51	-2.0	-108.48	374.24	11.25	-97.23
CC(OC1=CC=CC=C1C(F)(F)F)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088192	0	43	-2.0	-110.16	360.58	9.91	-100.25
CC(OC1=CC(Cl)=CC(Cl)=C1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088193	0	40	-2.0	-104.91	356.62	9.89	-95.02
COC1=CC=C(CCCCCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003088194	0	52	-2.0	-109.87	416.19	11.08	-98.79
CC1=C(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])N=C(C2=CSC=C2)O1	REAL300003088195	0	42	-2.0	-116.85	366.91	7.57	-109.28
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC2=CC=CC(OC3CCCC3)=C2)C1	REAL300003088196	0	53	-2.0	-107.80	415.07	12.35	-95.45
CC(C)OC1=CC=CC(C=CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003088197	0	47	-2.0	-111.55	379.17	10.03	-101.52
CC(C)(C)C1=CC=C(CCCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003088198	0	54	-2.0	-108.27	419.45	13.50	-94.77
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCC3=CC=CC=C32)C1	REAL300003088199	0	40	-2.0	-107.07	323.52	10.02	-97.05
NS(=O)(=O)C1=CC=C(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003088200	0	41	-2.0	-114.27	353.46	3.42	-110.85
NC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300003088201	0	37	-2.0	-105.61	311.68	6.35	-99.26
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CSC(C3=CC=CC=C3Cl)=N2)C1	REAL300003088202	0	39	-2.0	-118.31	347.38	10.35	-107.96
CC(=O)NC(CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=C(F)C=CC=C1F	REAL300003088203	0	46	-2.0	-119.22	377.21	8.44	-110.78
CC1=CC=CC=C1C1=NC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CS1	REAL300003088204	0	42	-2.0	-126.30	352.19	10.23	-116.07
CC(C)C(CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC=C1	REAL300003088205	0	48	-2.0	-107.91	363.19	11.34	-96.57
CC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=C2OCCOC2=C1	REAL300003088206	0	45	-2.0	-110.14	356.80	8.76	-101.38
CCC(CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC=C1	REAL300003088207	0	45	-2.0	-108.53	353.85	10.44	-98.09
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])SC(CC(C)C)=N1	REAL300003088208	0	44	-2.0	-108.37	362.63	8.98	-99.39
CC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C(C)N1CC1CC1	REAL300003088209	0	47	-2.0	-119.80	374.84	11.81	-107.99
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=COC(C3=CC=CC=C3)=N2)C1	REAL300003088210	0	39	-2.0	-124.42	334.16	7.35	-117.07
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C(=O)NCCCC2=CC=CC=C2)C1	REAL300003088211	0	46	-2.0	-106.86	379.22	8.74	-98.12
CCOC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1OC	REAL300003088212	0	44	-2.0	-112.34	358.02	7.86	-104.48
CN(C)C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300003088213	0	43	-2.0	-107.07	357.79	8.99	-98.08
CC1=CC=C(NC(=O)CSCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003088214	0	47	-2.0	-117.77	400.07	9.94	-107.83
CC(C)C1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003088215	0	46	-2.0	-110.79	369.14	12.02	-98.77
CC1=CC=C(OCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C(C)=C1	REAL300003088216	0	43	-2.0	-109.92	351.39	9.97	-99.95
CCCC1=C(C)SC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003088217	0	42	-2.0	-111.34	348.20	10.39	-100.95
CCCOC1=C(Cl)C=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1OC	REAL300003088218	0	47	-2.0	-107.12	396.62	10.21	-96.91
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C=CC2=CC=C(Br)S2)C1	REAL300003088219	0	34	-2.0	-111.09	321.69	9.00	-102.09
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=CC=CC=C3N2)C1	REAL300003088220	0	37	-2.0	-111.01	311.37	8.85	-102.16
CC1=C(C)SC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003088221	0	36	-2.0	-111.47	306.89	8.94	-102.53
CS(=O)(=O)C1=CC=C(Cl)C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003088222	0	39	-2.0	-124.33	351.08	5.50	-118.83
COC1=CC(C=CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC=C1OC(C)C	REAL300003088223	0	51	-2.0	-112.10	408.15	9.89	-102.21
CC1=CC(NC(=O)CSCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=NO1	REAL300003088224	0	43	-2.0	-114.22	375.09	7.55	-106.67
CCC1=C(C)SC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003088225	0	39	-2.0	-111.48	326.75	9.64	-101.84
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(COC3=CC=CC=C3)O2)C1	REAL300003088226	0	44	-2.0	-114.13	368.89	10.27	-103.86
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)COC2=CC=CC(Cl)=C2)C1	REAL300003088227	0	37	-2.0	-106.89	326.48	9.06	-97.83
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(OC3CCCC3)C=C2)C1	REAL300003088228	0	47	-2.0	-110.12	368.61	10.84	-99.28
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(OCC(F)(F)F)C=C2)C1	REAL300003088229	0	40	-2.0	-108.30	344.74	9.25	-99.05
CCCOC1=CC=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003088230	0	43	-2.0	-112.75	348.69	8.68	-104.07
CC(SCC1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088231	0	43	-2.0	-110.49	360.98	10.48	-100.01
CC(C)C1=CC=C(SCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003088232	0	46	-2.0	-108.30	379.66	11.12	-97.18
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(SCC3=CC=CC=C3)C=C2)C1	REAL300003088233	0	47	-2.0	-112.44	398.29	12.58	-99.86
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)COC2=CC=CC=C2C(F)(F)F)C1	REAL300003088234	0	40	-2.0	-111.59	347.35	9.65	-101.94
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)COC2=CC=C(F)C=C2F)C1	REAL300003088235	0	37	-2.0	-107.37	322.54	8.72	-98.65
CC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C(C)N1C(C)C1=CC=CC=C1	REAL300003088236	0	53	-2.0	-118.71	404.93	13.02	-105.69
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCN2C=CC=CC2=O)C1	REAL300003088237	0	39	-2.0	-120.48	325.99	7.70	-112.78
CC(OC1=CC=CC(C(C)(C)C)=C1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088238	0	52	-2.0	-109.69	399.34	11.20	-98.49
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=COC(Br)=C2)C1	REAL300003088239	0	30	-2.0	-108.23	278.28	6.41	-101.82
CC(C)CC1=NNC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003088240	0	42	-2.0	-105.79	337.72	8.41	-97.38
CC(C)CC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=NN1	REAL300003088240	1	42	-2.0	-115.97	339.42	8.27	-107.70
CC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC=C1N1C=NN=N1	REAL300003088241	0	41	-2.0	-110.15	337.51	8.46	-101.69
CC1=CC(OC(C)C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC=C1Cl	REAL300003088242	0	43	-2.0	-110.38	357.83	9.96	-100.42
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CC1=CNC(=O)N1C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003088244	0	44	-2.0	-118.56	367.80	8.51	-110.05
CC1=CC=C2OC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=CC2=C1	REAL300003088245	0	39	-2.0	-116.97	325.45	9.00	-107.97
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC2=CC(F)=CC=C2F)C1	REAL300003088246	0	39	-2.0	-108.18	334.06	9.54	-98.64
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCN2C=C([N+](=O)[O-])C=N2)C1	REAL300003088247	0	38	-2.0	-108.75	333.35	7.32	-101.43
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])OC2=C(C)C=CC=C12	REAL300003088248	0	42	-2.0	-115.92	342.75	10.26	-105.66
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CC(C)(CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC=C1	REAL300003088250	0	45	-2.0	-108.59	345.70	10.18	-98.41
O=C(CCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])NC1CCCC1	REAL300003088251	0	46	-2.0	-108.31	365.46	7.93	-100.38
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CC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C(O)=C1	REAL300003088253	0	37	-2.0	-114.37	303.84	7.10	-107.27
CC(C)C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003088254	0	42	-2.0	-111.79	334.06	10.48	-101.31
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2OCCC3=CC=CC=C32)C1	REAL300003088255	0	41	-2.0	-116.94	322.88	9.38	-107.56
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(Cl)O2)C1	REAL300003088256	0	30	-2.0	-106.68	274.09	7.44	-99.24
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(Br)C(F)=C2)C1	REAL300003088257	0	33	-2.0	-104.87	304.50	8.39	-96.48
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CN2C=CC([N+](=O)[O-])=N2)C1	REAL300003088258	0	35	-2.0	-114.65	311.01	8.61	-106.04
CC1=CC(CCCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C(C)S1	REAL300003088259	0	45	-2.0	-107.64	372.88	11.56	-96.08
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2CCCCCC2)C1	REAL300003088260	0	45	-2.0	-107.67	330.29	9.13	-98.54
CC1=CC=C2CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])SC2=C1	REAL300003088261	0	41	-2.0	-109.95	342.62	10.82	-99.13
NC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300003088262	0	37	-2.0	-110.69	311.68	7.30	-103.39
CN(C)S(=O)(=O)C1=CC=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003088263	0	44	-2.0	-120.33	370.04	6.63	-113.70
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC23CC4CC(CC(C4)C2)C3)C1	REAL300003088264	0	50	-2.0	-111.05	354.60	10.41	-100.64
COC1=CC(CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC(OC)=C1OC	REAL300003088265	0	51	-2.0	-110.80	412.53	8.39	-102.41
CC(C)(C)C1CCC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300003088266	0	51	-2.0	-108.31	370.65	11.02	-97.29
CC1=CC(OCCCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC=C1Cl	REAL300003088267	0	46	-2.0	-106.95	387.12	11.08	-95.87
CC(C)(C)C1=CC=C(OCCCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003088268	0	55	-2.0	-109.17	428.33	11.35	-97.82
CC(C)COC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003088269	0	46	-2.0	-109.44	366.77	10.28	-99.16
COC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC=C1OCC(C)C	REAL300003088270	0	50	-2.0	-112.33	399.62	9.34	-102.99
CCCOC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003088271	0	43	-2.0	-109.33	346.67	9.59	-99.74
CCC(OC1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088272	0	43	-2.0	-108.99	337.06	9.38	-99.61
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)COC2=CC=CC3=CC=CC=C32)C1	REAL300003088273	0	43	-2.0	-112.53	354.92	10.90	-101.63
CCC1=CC=CC(OCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003088274	0	43	-2.0	-109.51	352.64	9.98	-99.53
CCOC1=CC=C2OC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=C(C)C2=C1	REAL300003088275	0	46	-2.0	-111.78	374.07	9.96	-101.82
CCC1=CC=C2C(CC(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=COC2=C1	REAL300003088276	0	45	-2.0	-112.29	371.12	11.38	-100.91
CSC1=CC=CC=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088277	0	37	-2.0	-117.29	309.71	9.49	-107.80
CC(C)C1=CC=CC=C1OCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088278	0	46	-2.0	-111.01	368.49	10.57	-100.44
CC1=CC=C(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1C	REAL300003088279	0	42	-2.0	-109.66	338.76	10.78	-98.88
CCCOC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1OCC	REAL300003088280	0	50	-2.0	-110.05	397.06	10.42	-99.63
CC1=CC=C(SCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C(C)=C1	REAL300003088281	0	43	-2.0	-109.39	359.42	10.44	-98.95
CSC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300003088282	0	39	-2.0	-107.01	341.11	9.24	-97.77
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(S(=O)(=O)C(F)F)C=C2)C1	REAL300003088283	0	39	-2.0	-113.38	347.74	6.50	-106.88
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CSCC2=CC=C(F)C=C2)C1	REAL300003088284	0	40	-2.0	-107.17	351.12	11.05	-96.12
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=NN1C1=CC=C(Cl)C=C1	REAL300003088285	0	43	-2.0	-109.98	365.28	10.64	-99.34
COC1=CC(OC)=C2NC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=CC2=C1	REAL300003088286	0	45	-2.0	-112.45	366.47	7.76	-104.69
CC1=C2C(=CC=C1)SC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])=C2Cl	REAL300003088287	0	39	-2.0	-114.00	341.98	10.74	-103.26
CC(NC(=O)OC(C)(C)C)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088288	0	46	-2.0	-104.35	360.41	6.17	-98.18
CC(C)(C)OC(=O)NCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088289	0	43	-2.0	-103.86	344.71	5.65	-98.21
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC=CC=C2C(F)(F)F)C1	REAL300003088290	0	39	-2.0	-116.02	329.88	9.31	-106.71
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC=CC(Br)=C2)C1	REAL300003088291	0	36	-2.0	-106.65	321.64	10.19	-96.46
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CC3=CC=CC=C32)C1	REAL300003088292	0	37	-2.0	-115.06	303.96	8.97	-106.09
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CSC3=CC=CC=C23)C1	REAL300003088293	0	39	-2.0	-110.13	336.73	10.94	-99.19
CN(CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C(=O)OC(C)(C)C	REAL300003088294	0	46	-2.0	-111.74	365.73	8.57	-103.17
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(Cl)=CC=C2Br)C1	REAL300003088295	0	33	-2.0	-109.26	312.76	8.72	-100.54
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C3NC=CC3=CC=C2)C1	REAL300003088296	0	37	-2.0	-113.40	303.29	8.69	-104.71
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC=C3OCOC3=C2)C1	REAL300003088297	0	39	-2.0	-111.39	326.86	7.29	-104.10
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C3OCCC3=C2)C1	REAL300003088298	0	38	-2.0	-110.38	315.48	8.74	-101.64
COC1=C(OC)C=C2NC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=CC2=C1	REAL300003088299	0	45	-2.0	-110.60	370.02	8.07	-102.53
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC2=CC=C(Br)C=C2)C1	REAL300003088300	0	39	-2.0	-106.45	343.49	10.06	-96.39
CC(OC1=CC=CC=C1F)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088301	0	40	-2.0	-110.36	329.33	8.92	-101.44
CCCCSCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088302	0	39	-2.0	-107.12	328.31	8.59	-98.53
CC(C)SC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003088303	0	43	-2.0	-109.44	352.04	10.99	-98.45
CCC(OC1CCCCC1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088304	0	49	-2.0	-112.64	367.37	10.18	-102.46
CC1=C(C2CC2C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])SC=C1	REAL300003088305	0	40	-2.0	-108.96	339.22	9.66	-99.30
CS(=O)(=O)CC1(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300003088306	0	42	-2.0	-121.75	349.59	5.20	-116.55
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(C(=O)C3=CNC=C3)C=C2)C1	REAL300003088307	0	43	-2.0	-116.28	356.94	9.83	-106.45
CC1=CC=C(F)C(OCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003088308	0	40	-2.0	-111.67	337.54	9.32	-102.35
CC1=NN(C)C(C)=C1OCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088309	0	43	-2.0	-112.73	357.80	7.54	-105.19
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C=CSCC2=CC=CO2)C1	REAL300003088310	0	38	-2.0	-112.95	337.58	8.62	-104.33
CSC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C(Cl)C=C1Cl	REAL300003088311	0	37	-2.0	-104.15	339.29	10.41	-93.74
COC1=CC=C(OCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1C	REAL300003088312	0	44	-2.0	-108.96	359.30	8.58	-100.38
CCC(CC)N1N=CC=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088313	0	45	-2.0	-108.12	354.35	9.49	-98.63
CC(C)COC1=CC=CC(OCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003088314	0	50	-2.0	-110.12	402.70	10.26	-99.86
CN(C)S(=O)(=O)C1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CO1	REAL300003088315	0	41	-2.0	-113.62	355.32	3.69	-109.93
CSCC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003088316	0	40	-2.0	-113.09	340.02	10.45	-102.64
CC1=NN(C)C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1[N+](=O)[O-]	REAL300003088317	0	38	-2.0	-110.31	334.71	7.71	-102.60
CCS(=O)(=O)CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088318	0	35	-2.0	-118.53	303.78	3.58	-114.95
CC1=NN(C2=CC=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=C2)C=C1	REAL300003088319	0	43	-2.0	-122.87	353.53	10.34	-112.53
C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088320	0	46	-2.0	-103.39	360.08	6.07	-97.32
COC1=CC=CC(C(C)C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003088321	0	43	-2.0	-109.32	342.71	8.92	-100.40
CC(C)(C)OC(=O)N1CCCC1CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088322	0	53	-2.0	-113.54	406.95	9.51	-104.03
CC(C)CCOCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088323	0	42	-2.0	-107.67	335.92	8.09	-99.58
CC1=NC([N+](=O)[O-])=CN1CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088324	0	38	-2.0	-105.96	332.11	10.03	-95.93
CC1CCCCC1CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088325	0	45	-2.0	-108.11	336.82	10.25	-97.86
CCOC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC=C1	REAL300003088326	0	43	-2.0	-110.12	346.35	9.70	-100.42
CC(=CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300003088327	0	43	-2.0	-105.80	367.66	11.79	-94.01
CS(=O)(=O)CCCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088328	0	38	-2.0	-118.89	325.92	3.97	-114.92
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C3COCC3=C2)C1	REAL300003088329	0	38	-2.0	-110.55	315.59	8.17	-102.38
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(N3C=NN=C3)C=C2)C1	REAL300003088330	0	39	-2.0	-110.25	324.68	11.51	-98.74
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(CN3C=C(Cl)C=N3)O2)C1	REAL300003088331	0	40	-2.0	-110.46	358.50	9.19	-101.27
CC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=C(Cl)C=CC=C1Cl	REAL300003088332	0	39	-2.0	-109.07	332.65	9.58	-99.49
CC1=C(C2=CC=C(F)C=C2)SC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003088333	0	43	-2.0	-110.65	370.77	11.79	-98.86
CN1C=C(CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C2=CC=CC=C21	REAL300003088334	0	46	-2.0	-112.73	376.54	11.21	-101.52
CC(C)(C)OC(=O)N1CC(OCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C1	REAL300003088335	0	51	-2.0	-110.08	409.25	8.14	-101.94
CCC(OC1=CC=CC=C1Cl)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088336	0	43	-2.0	-109.77	353.07	9.91	-99.86
COC1=CC=C(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C(Cl)=C1	REAL300003088337	0	40	-2.0	-109.39	344.07	9.31	-100.08
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)COC2=CC=C3CCCCC3=C2)C1	REAL300003088338	0	47	-2.0	-109.95	372.64	11.08	-98.87
CC(CSC1=CC=C(F)C=C1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088339	0	43	-2.0	-106.45	364.34	10.38	-96.07
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN(CC3=CC=CC(F)=C3)N=N2)C1	REAL300003088340	0	42	-2.0	-124.23	362.95	8.47	-115.76
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CNC3=CC=C([N+](=O)[O-])C=C23)C1	REAL300003088341	0	42	-2.0	-120.18	360.35	10.30	-109.88
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CC23CCCC2=CC=CC=C23)C1	REAL300003088342	0	47	-2.0	-109.96	360.65	10.63	-99.33
CC1=C(C2=CC=C(F)C=C2)C=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300003088343	0	43	-2.0	-109.46	371.69	11.96	-97.50
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=NN(C3=CC=CC=C3)C=C2)C1	REAL300003088344	0	43	-2.0	-120.89	358.39	10.72	-110.17
CC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])S(=O)(=O)C1CCOCC1	REAL300003088345	0	46	-2.0	-117.25	367.59	4.12	-113.13
CN1C=C(C=CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C2=CC=CC=C21	REAL300003088346	0	44	-2.0	-116.83	364.60	10.97	-105.86
CC(C)(C)OC(=O)NC1(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CCC1	REAL300003088347	0	53	-2.0	-109.61	407.34	8.29	-101.32
CC1=CC(CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC=C1Br	REAL300003088348	0	42	-2.0	-106.76	361.68	10.62	-96.14
CC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC2=CC=CC=C2O1	REAL300003088349	0	42	-2.0	-114.08	343.48	10.78	-103.30
CC1=CC=C(OCCCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1C	REAL300003088350	0	49	-2.0	-109.98	390.56	10.24	-99.74
CC(CN(C)C(=O)OC(C)(C)C)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088351	0	52	-2.0	-118.71	400.84	8.42	-110.29
CC1=CC=C2NC=C(CCC(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C2=C1	REAL300003088352	0	46	-2.0	-112.29	375.48	10.17	-102.12
COC1=CC=C(C(C)C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1OC	REAL300003088353	0	47	-2.0	-108.99	371.03	8.81	-100.18
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=NN1C1=CC(C)=CC=C1C	REAL300003088354	0	49	-2.0	-114.37	397.60	12.12	-102.25
CC(=CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC=C1OC(F)F	REAL300003088355	0	44	-2.0	-114.12	368.54	9.60	-104.52
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCCC2=CSC3=CC=CC=C23)C1	REAL300003088356	0	45	-2.0	-109.51	379.54	12.52	-96.99
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCCC2=C(Cl)SC(Cl)=C2)C1	REAL300003088357	0	39	-2.0	-105.54	365.59	11.27	-94.27
CC1=C(S(=O)(=O)N(C)C)C=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])O1	REAL300003088358	0	44	-2.0	-119.19	367.68	4.44	-114.75
CC(C)(C)OC(=O)NCCCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088359	0	49	-2.0	-110.42	388.79	6.19	-104.23
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC([N+](=O)[O-])=CN2)C1	REAL300003088360	0	33	-2.0	-101.49	290.63	6.70	-94.79
COC1=CC=C(Cl)C=C1CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088361	0	40	-2.0	-109.61	345.38	9.45	-100.16
CCCCC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003088362	0	45	-2.0	-111.99	359.79	11.56	-100.43
CC1=CC=C(C2=NN(CC(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])N=N2)C=C1	REAL300003088363	0	44	-2.0	-112.76	373.43	9.23	-103.53
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CN2N=NC(C3=CC=C(Cl)C=C3)=N2)C1	REAL300003088364	0	41	-2.0	-108.86	368.75	9.08	-99.78
CC(C)(C)OC(=O)N1CCCC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C1	REAL300003088365	0	53	-2.0	-115.87	404.69	9.69	-106.18
CC(=O)C1=C(C)OC(CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003088366	0	44	-2.0	-110.10	365.85	8.93	-101.17
CCN1C=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C2=CC=CC=C21	REAL300003088367	0	43	-2.0	-118.09	352.18	10.15	-107.94
CC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C(C)N1CC(F)(F)F	REAL300003088368	0	43	-2.0	-117.96	356.41	10.45	-107.51
CN1C=C([N+](=O)[O-])C=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088369	0	36	-2.0	-118.89	306.10	7.61	-111.28
COC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC2=C1OC(C)C2	REAL300003088370	0	45	-2.0	-114.08	363.17	7.52	-106.56
CN1C=C(Cl)C=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088371	0	34	-2.0	-113.47	292.98	7.39	-106.08
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(C#CC3=CC=CC=C3)C=C2)C1	REAL300003088372	0	45	-2.0	-111.60	382.84	13.73	-97.87
CC1=CC=C(CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1Cl	REAL300003088373	0	42	-2.0	-106.51	357.21	11.49	-95.02
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CC2C2=CC=C(C(F)(F)F)C=C2)C1	REAL300003088374	0	43	-2.0	-107.34	366.75	11.92	-95.42
CC(C)C1CCC(C)CC1OCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088375	0	55	-2.0	-110.76	408.72	11.22	-99.54
CCC(C)C1=CC=CC=C1OCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088376	0	49	-2.0	-111.42	386.98	11.21	-100.21
COC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300003088377	0	39	-2.0	-110.66	337.47	8.73	-101.93
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CSC3=CC=CC=C32)C1	REAL300003088378	0	38	-2.0	-108.80	318.13	10.13	-98.67
CCC1=CC=C(C(C)CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003088379	0	48	-2.0	-108.15	378.03	11.31	-96.84
CCC(OC1=CC=CC=C1C)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088380	0	46	-2.0	-109.57	357.11	10.08	-99.49
CSCC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC=C1F	REAL300003088381	0	40	-2.0	-107.08	346.76	10.51	-96.57
CC(C)(C)OC(=O)NC(C)(C)CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088382	0	52	-2.0	-107.08	391.30	6.52	-100.56
CC(C)(C)OC(=O)N1CC(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C1	REAL300003088383	0	50	-2.0	-109.67	395.39	8.00	-101.67
CCC1=NOC(CC)=C1CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088384	0	44	-2.0	-106.21	358.75	9.82	-96.39
COC1=CC=CC(OC)=C1CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088385	0	44	-2.0	-116.90	356.66	8.31	-108.59
CC(C)(C)OC(=O)NCC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])O1	REAL300003088386	0	50	-2.0	-113.59	405.56	7.48	-106.11
CC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC(Cl)=C1	REAL300003088387	0	39	-2.0	-104.96	329.05	10.13	-94.83
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088388	0	43	-2.0	-109.16	375.63	11.02	-98.14
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=NN(C3=CC=C(F)C=C3)C=C2)C1	REAL300003088389	0	43	-2.0	-117.40	364.82	10.79	-106.61
COC1=CC=C(C(C)CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003088390	0	46	-2.0	-108.34	364.62	9.15	-99.19
COC1=CC=C(CC(C)C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003088391	0	46	-2.0	-109.29	367.44	9.07	-100.22
CC(C)(C)OC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003088392	0	46	-2.0	-110.11	354.29	9.64	-100.47
CCCC(O)(CCC)CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088393	0	48	-2.0	-109.35	361.50	7.56	-101.79
COC1=CC=CC(C(C)CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003088394	0	46	-2.0	-109.12	363.06	8.99	-100.13
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC(N3C=CN=N3)=C2)C1	REAL300003088395	0	39	-2.0	-116.64	328.59	7.56	-109.08
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CC23CCOCC3)C1	REAL300003088396	0	41	-2.0	-112.73	318.80	6.66	-106.07
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2CCSCC2)C1	REAL300003088397	0	40	-2.0	-105.47	320.33	9.41	-96.06
CC1=CC=C(CCCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300003088398	0	42	-2.0	-108.70	355.80	10.11	-98.59
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC(O)C2=CC=CC(F)=C2)C1	REAL300003088399	0	40	-2.0	-109.48	335.49	7.21	-102.27
CCC(OC1=CC=CC(C)=C1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088400	0	46	-2.0	-109.72	358.56	10.06	-99.66
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(N3C=CN=N3)C=C2)C1	REAL300003088401	0	39	-2.0	-119.03	330.21	7.53	-111.50
CS(=O)(=O)C1=CC=C(OCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003088402	0	43	-2.0	-115.05	369.88	6.51	-108.54
CN(C)S(=O)(=O)C1=CNC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003088403	0	42	-2.0	-114.51	359.27	4.94	-109.57
CC(OC1=CC=C2CCCC2=C1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088404	0	47	-2.0	-110.59	368.67	10.78	-99.81
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C3NC4=C(CCCCC4)C3=C2)C1	REAL300003088405	0	50	-2.0	-114.40	391.15	11.57	-102.83
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=C(Cl)C(Cl)=CC=C3N2)C1	REAL300003088406	0	37	-2.0	-106.50	339.19	10.13	-96.37
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=NN1C(C)(C)C	REAL300003088407	0	45	-2.0	-113.34	353.53	8.89	-104.45
CC(SC1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088408	0	40	-2.0	-108.96	339.79	9.67	-99.29
CNC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300003088409	0	40	-2.0	-110.37	333.27	8.24	-102.13
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CN2CCCS2(=O)=O)C1	REAL300003088410	0	38	-2.0	-116.23	322.72	4.33	-111.90
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C=CC2=CC(Br)=CS2)C1	REAL300003088411	0	34	-2.0	-108.96	321.48	8.90	-100.06
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C(S(=O)(=O)N(C)C)O1	REAL300003088412	0	44	-2.0	-108.15	374.37	5.56	-102.59
CC1=NN(C)C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1Br	REAL300003088413	0	36	-2.0	-106.41	323.85	6.51	-99.90
CC(C)(C)OC(=O)N1CCC(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300003088414	0	56	-2.0	-107.22	423.20	10.41	-96.81
CC1=NC(C2=CC=CC=C2)=NC=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088415	0	44	-2.0	-108.55	364.42	10.30	-98.25
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CN2C=C([N+](=O)[O-])C=N2)C1	REAL300003088416	0	35	-2.0	-106.57	310.74	7.66	-98.91
CC1=NN(C2=CC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=C2)C=C1	REAL300003088417	0	43	-2.0	-111.33	355.25	9.42	-101.91
CN1N=CC=C1C=CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088418	0	37	-2.0	-108.95	312.36	6.82	-102.13
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN(C3=CC=C(Cl)C=C3)N=N2)C1	REAL300003088419	0	39	-2.0	-120.53	348.04	8.45	-112.08
COC1=CC=C2OCC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=CC2=C1	REAL300003088420	0	43	-2.0	-111.53	350.81	8.54	-102.99
COC1=CC=C(N2N=NC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=C2C)C=C1	REAL300003088421	0	46	-2.0	-115.72	375.52	8.34	-107.38
CC1=CC=C2NC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=C(Cl)C2=C1	REAL300003088422	0	40	-2.0	-109.95	343.22	10.32	-99.63
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(Br)=CS2)C1	REAL300003088423	0	30	-2.0	-105.36	287.86	8.32	-97.04
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(N3C=CN=C3)C([N+](=O)[O-])=C2)C1	REAL300003088424	0	42	-2.0	-103.85	359.34	11.73	-92.12
CC(CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])NC(=O)OC(C)(C)C	REAL300003088425	0	49	-2.0	-112.45	386.48	7.62	-104.83
CC(C)(C)OC(=O)N1CCC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C1	REAL300003088426	0	50	-2.0	-116.28	386.66	7.76	-108.52
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(Cl)=C(Br)N2)C1	REAL300003088427	0	31	-2.0	-101.78	298.18	7.97	-93.81
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=NN(C3=CC=CC=C3)N=C2)C1	REAL300003088428	0	42	-2.0	-117.27	354.05	9.38	-107.89
CC(C)(C)OC(=O)N(CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])CC1CC1	REAL300003088429	0	53	-2.0	-118.08	413.89	9.94	-108.14
CC(C)N(CCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C(=O)OC(C)(C)C	REAL300003088430	0	55	-2.0	-114.91	420.03	9.35	-105.56
CC1=CC=C(S(=O)(=O)N(C)C)C=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088431	0	47	-2.0	-125.21	387.61	6.08	-119.13
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(C3=CC=C(Cl)C=C3)S2)C1	REAL300003088432	0	40	-2.0	-111.92	361.00	11.79	-100.13
CC1=CC=CC=C1C=CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088433	0	40	-2.0	-113.54	327.33	9.71	-103.83
COC1=CC(OC)=C(OC)C=C1C=CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088434	0	49	-2.0	-116.68	396.05	7.76	-108.92
CC1=NN(C2=CC=CC=C2)N=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088435	0	42	-2.0	-119.62	350.86	8.41	-111.21
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C3CCCC3=C2)C1	REAL300003088436	0	40	-2.0	-114.82	321.07	9.51	-105.31
CC(C)OCC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003088437	0	46	-2.0	-112.77	371.10	10.01	-102.76
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CSCC2=CC=CS2)C1	REAL300003088438	0	37	-2.0	-108.48	335.61	9.19	-99.29
COC1=CC2=CC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=C2C=C1	REAL300003088439	0	43	-2.0	-113.85	348.61	10.13	-103.72
CCOC1=CC=C(SCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003088440	0	44	-2.0	-107.49	370.80	9.42	-98.07
COC1=CC=CC(CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1OC	REAL300003088441	0	47	-2.0	-112.85	381.25	8.69	-104.16
CC(C)(C)C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300003088442	0	47	-2.0	-110.65	362.03	11.16	-99.49
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C3OCCCOC3=C2)C1	REAL300003088443	0	42	-2.0	-111.31	340.36	7.67	-103.64
COC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1F	REAL300003088444	0	37	-2.0	-108.81	313.16	7.10	-101.71
COC1=CC=C(SCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003088445	0	41	-2.0	-107.61	348.95	8.49	-99.12
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(C3SCCCS3)C=C2)C1	REAL300003088446	0	45	-2.0	-117.88	381.45	11.24	-106.64
CCC1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003088447	0	43	-2.0	-110.95	351.88	11.54	-99.41
CC(C)(C)OC(=O)N1CCC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300003088448	0	53	-2.0	-109.69	404.68	9.71	-99.98
CCN1C(C)=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1C	REAL300003088449	0	43	-2.0	-119.26	340.12	10.13	-109.13
CC(C)(C)OC(=O)NC1=CC=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003088450	0	50	-2.0	-121.21	398.20	7.92	-113.29
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)COC2=CC=C(Cl)C3=CC=CC=C23)C1	REAL300003088451	0	43	-2.0	-108.64	369.28	11.31	-97.33
CC(C)(C)OC(=O)NC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003088452	0	50	-2.0	-112.55	395.63	8.82	-103.73
COC1=CC=C(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300003088453	0	42	-2.0	-108.85	355.87	10.32	-98.53
CCCCCS(=O)(=O)CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088454	0	44	-2.0	-117.97	368.27	5.94	-112.03
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=C(CCOC3)S2)C1	REAL300003088455	0	38	-2.0	-110.66	320.70	7.79	-102.87
COC1=CC=CC=C1CC(C)=CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088456	0	47	-2.0	-112.91	377.29	10.17	-102.74
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CC2C2=CC=CC3=CC=CC=C32)C1	REAL300003088457	0	46	-2.0	-112.57	362.08	11.95	-100.62
CC1=C2NC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=CC2=CC=C1	REAL300003088458	0	40	-2.0	-111.31	332.58	9.50	-101.81
CC1=CC(OCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC(C)=C1Cl	REAL300003088459	0	43	-2.0	-106.76	364.03	10.27	-96.49
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC2=CC=CC([N+](=O)[O-])=C2)C1	REAL300003088460	0	41	-2.0	-106.93	349.96	11.07	-95.86
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(OC3=CC=CC=C3)O2)C1	REAL300003088461	0	41	-2.0	-108.90	355.00	10.51	-98.39
COC1=CC=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1F	REAL300003088462	0	37	-2.0	-114.79	312.39	7.01	-107.78
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C3SC=CC3=C2)C1	REAL300003088463	0	36	-2.0	-106.68	318.22	9.95	-96.73
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C=CC2CCOCC2)C1	REAL300003088464	0	41	-2.0	-109.05	327.91	7.18	-101.87
CCC(SC1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088465	0	43	-2.0	-109.93	354.29	10.15	-99.78
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(C3=CC=CC=C3)=CC=C2Cl)C1	REAL300003088466	0	43	-2.0	-117.89	366.30	11.53	-106.36
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCS(=O)(=O)CC2)C1	REAL300003088467	0	39	-2.0	-110.79	319.90	4.02	-106.77
CC(OC1CCCC1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088468	0	43	-2.0	-111.88	335.23	8.98	-102.90
CC1=CC(F)=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1F	REAL300003088469	0	36	-2.0	-112.63	309.04	8.36	-104.27
COC1=CSC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003088470	0	34	-2.0	-108.53	296.91	7.02	-101.51
CC(OC1CCCCCC1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088471	0	49	-2.0	-110.49	359.23	9.79	-100.70
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C=CC2CCCCC2)C1	REAL300003088472	0	43	-2.0	-108.72	336.19	10.49	-98.23
CC(C)N1C=NN=C1SCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088473	0	42	-2.0	-115.93	359.69	9.76	-106.17
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=CC=CN=C3C=C2)C1	REAL300003088474	0	38	-2.0	-113.49	314.17	8.93	-104.56
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCN(C3=CN=CC=N3)CC2)C1	REAL300003088475	0	46	-2.0	-110.24	362.31	6.48	-103.76
CC(C)C(=O)NC1=NC(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CS1	REAL300003088476	0	45	-2.0	-113.50	380.01	8.17	-105.33
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CS1	REAL300003088476	1	44	-3.0	-175.07	378.17	6.14	-168.93
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC(OCC3=CC=CN=C3)=C2)C1	REAL300003088477	0	46	-2.0	-116.25	383.60	9.22	-107.03
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(N3CCOCC3)C=C2)C1	REAL300003088478	0	46	-2.0	-111.55	356.98	7.40	-104.15
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CSC3=NC=CN23)C1	REAL300003088479	0	36	-2.0	-107.66	317.72	8.23	-99.43
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C3NC=NC3=CC(F)=C2)C1	REAL300003088480	0	36	-2.0	-106.59	304.27	8.36	-98.23
COC(=O)NC1=CC=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003088481	0	41	-2.0	-121.05	343.31	5.91	-115.14
N#CCC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003088482	0	37	-2.0	-117.95	316.15	9.73	-108.22
NS(=O)(=O)C1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC2=C1CCC2	REAL300003088483	0	45	-2.0	-120.29	375.74	4.49	-115.80
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C(=O)C2=CN(C3=CC=CC=C3)N=C2)C1	REAL300003088484	0	42	-2.0	-110.93	354.17	9.59	-101.34
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NN(C3CCCC3)C=C2)C1	REAL300003088485	0	43	-2.0	-118.94	339.67	9.55	-109.39
CC1=NC(C2=CC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=C2)=NN1	REAL300003088486	0	42	-2.0	-115.11	350.94	9.28	-105.83
COCCCS(=O)(=O)NCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088487	0	44	-2.0	-112.24	373.46	2.78	-109.46
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC2=NC(C3CCCC3)=NO2)C1	REAL300003088488	0	47	-2.0	-107.88	379.13	7.31	-100.57
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NNC3=CC=CC=C32)C1	REAL300003088489	0	36	-2.0	-118.95	301.95	7.82	-111.13
CNS(=O)(=O)C1=CC=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003088490	0	41	-2.0	-119.29	351.07	4.81	-114.48
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C(Cl)N=C3C=CC=CN32)C1	REAL300003088491	0	36	-2.0	-117.63	323.55	9.43	-108.20
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=NC=CN=C3C=C2)C1	REAL300003088492	0	37	-2.0	-115.05	309.26	7.00	-108.05
COC1=CC=C(O)C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003088493	0	38	-2.0	-119.19	314.51	4.18	-115.01
NC(=O)NC1=CC=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003088494	0	39	-2.0	-125.55	325.42	3.77	-121.78
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C3OCC(=O)NC3=C2)C1	REAL300003088495	0	39	-2.0	-113.73	326.91	4.89	-108.84
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC=C(O)C=C2)C1	REAL300003088496	0	37	-2.0	-110.04	310.25	5.61	-104.43
CS(=O)CC1=CC=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003088497	0	41	-2.0	-110.96	353.05	7.97	-102.99
COC1=NC=CC=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088498	0	36	-2.0	-112.21	302.46	4.94	-107.27
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=CNN=C3C=C2)C1	REAL300003088499	0	36	-2.0	-112.71	300.95	6.15	-106.56
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NOC3=C2CCCCC3)C1	REAL300003088500	0	42	-2.0	-119.72	325.90	8.59	-111.13
CCCN1C=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300003088501	0	39	-2.0	-110.66	319.74	7.94	-102.72
COC1=NC(C)=CC=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088502	0	39	-2.0	-116.06	320.14	6.51	-109.55
CC(C)(C)C(=O)NCC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003088503	0	52	-2.0	-111.25	414.82	9.62	-101.63
CC(C)C(=O)N(C)CC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003088504	0	52	-2.0	-114.55	408.13	10.87	-103.68
CC(C)CC(=O)NC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1F	REAL300003088505	0	49	-2.0	-117.65	397.39	8.86	-108.79
COC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1N1CCNC1=O	REAL300003088506	0	47	-2.0	-120.58	386.55	6.12	-114.46
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN=C(C3CCCO3)S2)C1	REAL300003088507	0	40	-2.0	-112.44	338.78	6.82	-105.62
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CSCC(F)(F)F)C1	REAL300003088508	0	33	-2.0	-106.00	304.38	7.50	-98.50
COCC1=NC(C)=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300003088509	0	39	-2.0	-108.95	336.05	6.08	-102.87
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=NN1CC(C)C	REAL300003088510	0	45	-2.0	-113.25	349.22	8.76	-104.49
CS(=O)(=O)NCC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])O1	REAL300003088511	0	41	-2.0	-128.30	357.59	3.84	-124.46
CC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C2C=NN(C)C2=N1	REAL300003088512	0	41	-2.0	-108.66	341.42	7.21	-101.45
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCCC2=CC3=CC=CC=C3C=C2)C1	REAL300003088513	0	48	-2.0	-110.75	389.81	12.48	-98.27
CC(CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300003088514	0	45	-2.0	-107.06	372.90	11.98	-95.08
CC(C)NC(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003088515	0	46	-2.0	-109.11	372.43	8.50	-100.61
CC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C(C)C=C1Br	REAL300003088516	0	39	-2.0	-107.72	334.24	10.26	-97.46
CC1=CSC2=NC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C(=O)N12	REAL300003088517	0	38	-2.0	-125.61	333.61	8.17	-117.44
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC=C(Br)C(F)=C2)C1	REAL300003088518	0	36	-2.0	-103.23	327.36	10.25	-92.98
COC1=CC2=C(CC(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=CC=C2C=C1	REAL300003088519	0	46	-2.0	-119.96	372.36	11.00	-108.96
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCNC(=O)C2CCCCC2)C1	REAL300003088520	0	49	-2.0	-111.08	383.06	7.34	-103.74
CC(C)CN1N=CC2=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=CN=C21	REAL300003088521	0	47	-2.0	-109.27	379.11	10.05	-99.22
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=NC(OC3=CC=CC=C3)=C2)C1	REAL300003088522	0	43	-2.0	-109.61	362.94	7.99	-101.62
CC1=NC(C2=CSC=C2)=CC=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088523	0	42	-2.0	-109.85	356.08	9.70	-100.15
CC1=NC(C2=CC=CO2)=CC=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088524	0	42	-2.0	-110.38	352.28	9.15	-101.23
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CNC(=O)C2=CC3=C(CCC3)S2)C1	REAL300003088525	0	44	-2.0	-110.81	373.16	7.42	-103.39
CNC(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300003088526	0	39	-2.0	-105.82	326.85	5.04	-100.78
CN(C)C(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003088527	0	43	-2.0	-109.77	345.33	8.33	-101.44
CN(C)C(=O)C1=CC=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003088528	0	43	-2.0	-124.07	342.60	8.24	-115.83
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CSC(C3=CN=CC=N3)=N2)C1	REAL300003088529	0	37	-2.0	-122.07	330.51	6.41	-115.66
CN1C=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C1=O	REAL300003088530	0	36	-2.0	-129.55	303.43	8.17	-121.38
CC1=CC2=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=C(C3CC3)N=C2C(C)=C1	REAL300003088531	0	51	-2.0	-117.13	406.34	12.45	-104.68
CNS(=O)(=O)C1=CSC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003088532	0	38	-2.0	-111.83	344.33	3.83	-108.00
COC1=CC=C(C2=CN=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=C2)C=C1	REAL300003088533	0	46	-2.0	-112.19	371.87	9.42	-102.77
CC1=CC=CC(C2=CN=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=C2)=C1	REAL300003088534	0	45	-2.0	-112.16	363.79	10.79	-101.37
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCCC3=C2C=CS3)C1	REAL300003088535	0	40	-2.0	-106.81	330.88	9.62	-97.19
CC1=CC=C(C2=CC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])S2)O1	REAL300003088536	0	40	-2.0	-113.91	351.16	9.39	-104.52
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC=CC(OCC3=CC=CN=C3)=C2)C1	REAL300003088537	0	49	-2.0	-113.42	406.41	11.08	-102.34
CC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=C(Cl)S1	REAL300003088538	0	36	-2.0	-103.89	326.71	9.80	-94.09
CC1=CC=C(CC2=NC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=CS2)C=C1	REAL300003088539	0	45	-2.0	-122.55	382.66	11.32	-111.23
CCC(C)OC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC=N1	REAL300003088540	0	45	-2.0	-108.67	363.11	7.96	-100.71
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CSC(CC3=CC=CC(F)=C3)=N2)C1	REAL300003088541	0	42	-2.0	-127.38	367.71	10.71	-116.67
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=NN1C1CCCC1	REAL300003088542	0	46	-2.0	-113.42	358.73	9.73	-103.69
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCOC2CCOCC2)C1	REAL300003088543	0	44	-2.0	-107.45	349.40	5.96	-101.49
CC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=NN1C1=CC=C(C)C=C1	REAL300003088544	0	46	-2.0	-127.61	376.41	10.48	-117.13
COC1=CC=C(N2N=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=C2C)C=C1	REAL300003088545	0	47	-2.0	-128.11	384.43	9.10	-119.01
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=NN1C(C)C	REAL300003088546	0	42	-2.0	-113.02	335.65	8.34	-104.68
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O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NC3=CC=CC=C3C=C2)C1	REAL300003088548	0	38	-2.0	-121.48	316.94	9.53	-111.95
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=NC(OCC3=CC=CC=C3)=C2)C1	REAL300003088549	0	46	-2.0	-109.50	382.11	9.29	-100.21
COC1=CC=C(C(=O)NCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003088550	0	44	-2.0	-105.65	364.09	6.63	-99.02
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(=O)NC3=CC=CC=C32)C1	REAL300003088551	0	39	-2.0	-116.40	330.42	7.61	-108.79
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CC(C)(C)C1=CC=C(C(=O)NCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003088553	0	52	-2.0	-106.19	410.80	9.65	-96.54
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CCOC1=CC=C(C(=O)NCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003088559	0	47	-2.0	-105.49	385.90	7.57	-97.92
CC1=CC(C(=O)NCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300003088560	0	45	-2.0	-106.76	379.28	7.58	-99.18
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CC1(C2=CC=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=C2)NC(=O)NC1=O	REAL300003088564	0	45	-2.0	-115.17	372.09	4.65	-110.52
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CC(=O)NC1=CC=C(F)C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003088566	0	40	-2.0	-109.96	338.31	6.53	-103.43
CC(C)(CCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC=C1	REAL300003088567	0	48	-2.0	-109.08	369.72	10.79	-98.29
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(C3=CC=CO3)NC2=O)C1	REAL300003088568	0	40	-2.0	-125.38	344.26	8.18	-117.20
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CC1=CC2=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=C(C3CC3)N=C2C=C1	REAL300003088570	0	48	-2.0	-116.28	386.22	11.62	-104.66
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CC1=CC=C(OCC2=CC=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=C2)C=N1	REAL300003088572	0	49	-2.0	-117.39	405.16	10.83	-106.56
CC(=CC1=CC=CC=C1Cl)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088573	0	40	-2.0	-117.65	333.90	9.79	-107.86
COC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC=C1Cl	REAL300003088574	0	37	-2.0	-108.83	323.02	7.58	-101.25
CC(=CC1=CC=CC(Cl)=C1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088575	0	40	-2.0	-114.39	342.78	9.88	-104.51
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=NN2C2CCCC2)C1	REAL300003088576	0	43	-2.0	-109.01	339.14	9.25	-99.76
CN1N=CC=C1CCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088577	0	39	-2.0	-108.01	322.46	6.98	-101.03
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O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NN(C3=CC=CC=C3)C=N2)C1	REAL300003088579	0	39	-2.0	-123.45	329.67	10.14	-113.31
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CC1=NC2=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=CC=C2C=C1	REAL300003088581	0	41	-2.0	-129.84	343.29	9.93	-119.91
CC1=NC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C(C)S1	REAL300003088582	0	35	-2.0	-116.72	298.77	7.74	-108.98
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CC1=CC(Cl)=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003088584	0	36	-2.0	-110.55	312.80	9.77	-100.78
CC1=NC(CCCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CS1	REAL300003088585	0	41	-2.0	-111.65	349.94	7.94	-103.71
CNS(=O)(=O)C1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C(C)O1	REAL300003088586	0	41	-2.0	-109.32	354.71	3.71	-105.61
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CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=CC=C1C1=CC=CC=N1	REAL300003088588	0	45	-2.0	-122.15	359.96	11.53	-110.62
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O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC2=CC=C3NC=CC3=C2)C1	REAL300003088591	0	43	-2.0	-112.51	353.56	9.48	-103.03
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=NC2=CC=CC=C21	REAL300003088592	0	41	-2.0	-112.71	331.72	9.16	-103.55
CN1N=CC([N+](=O)[O-])=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088593	0	35	-2.0	-107.90	310.06	6.91	-100.99
COC1=CC(C=CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC=C1F	REAL300003088594	0	41	-2.0	-109.40	345.35	8.52	-100.88
CC1=CC(Cl)=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1C	REAL300003088595	0	39	-2.0	-112.46	327.61	9.13	-103.33
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN=C3C=CSC3=C2)C1	REAL300003088596	0	35	-2.0	-112.28	309.09	7.17	-105.11
COC1=CC=C(C2=NC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=C(C)O2)C=C1	REAL300003088597	0	46	-2.0	-123.51	381.69	7.47	-116.04
CC1=C(C)N2C(=NC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C2=O)S1	REAL300003088598	0	41	-2.0	-125.47	353.23	8.87	-116.60
CC(C)OC1=CN=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003088599	0	42	-2.0	-108.08	339.37	7.64	-100.44
COC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC=C1	REAL300003088600	0	40	-2.0	-113.42	327.91	8.66	-104.76
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])OC(C2CC2)=N1	REAL300003088601	0	39	-2.0	-108.14	323.36	6.55	-101.59
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCCCCCC2)C1	REAL300003088602	0	45	-2.0	-111.90	319.12	8.62	-103.28
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC(Br)=C2Cl)C1	REAL300003088603	0	33	-2.0	-109.73	304.25	9.57	-100.16
CNC(=O)C1=CC=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003088604	0	40	-2.0	-122.19	329.65	6.84	-115.35
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])OC(C2=CC=CC=C2)=N1	REAL300003088605	0	42	-2.0	-117.56	352.47	7.19	-110.37
CC(C)(C)C(=O)NC1=CC=C(F)C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003088606	0	49	-2.0	-109.26	397.09	8.58	-100.68
CC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=C(Br)C=C1	REAL300003088607	0	39	-2.0	-105.74	336.43	9.48	-96.26
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(C3CC3)=NC3=CC=C(F)C=C32)C1	REAL300003088608	0	45	-2.0	-114.92	371.26	11.03	-103.89
C=CC(CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC=C1	REAL300003088609	0	43	-2.0	-108.06	349.65	10.44	-97.62
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCC3CCCCC3C2)C1	REAL300003088610	0	49	-2.0	-111.89	352.65	10.88	-101.01
CCC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C2=CC=CC=C2O1	REAL300003088611	0	42	-2.0	-117.24	350.99	10.79	-106.45
CC(C)(C)C1CCC(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300003088612	0	54	-2.0	-107.64	388.93	10.88	-96.76
CC(CCCC1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088613	0	48	-2.0	-109.15	381.66	11.39	-97.76
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC2=CN=CC(F)=C2)C1	REAL300003088614	0	38	-2.0	-106.59	323.45	7.72	-98.87
CC(CC1=CC=CC(Cl)=C1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088615	0	42	-2.0	-106.53	354.67	10.29	-96.24
CN1C(=O)NC2=CC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=C21	REAL300003088616	0	40	-2.0	-107.63	330.12	7.40	-100.23
CC1(C)CCC(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300003088617	0	48	-2.0	-108.64	354.38	10.63	-98.01
CC(C)CC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC(=O)N1	REAL300003088618	0	45	-2.0	-109.59	365.36	8.72	-100.87
CC(C)C1=NC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300003088619	0	38	-2.0	-111.97	325.49	6.88	-105.09
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(C(=O)NC3CC3)C=C2)C1	REAL300003088620	0	44	-2.0	-108.82	361.93	8.56	-100.26
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(C3=CC=CC=N3)=CC=C2Cl)C1	REAL300003088621	0	42	-2.0	-121.09	367.32	11.27	-109.82
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=NC(OC3CCC3)=C2)C1	REAL300003088622	0	43	-2.0	-104.52	356.67	7.83	-96.69
COC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1N1C=NN=N1	REAL300003088623	0	42	-2.0	-110.62	352.87	7.45	-103.17
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC(=O)NCC(F)(F)F)C1	REAL300003088624	0	36	-2.0	-112.57	317.23	6.27	-106.30
CC(C)OC1=CC=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300003088625	0	42	-2.0	-120.11	339.90	7.29	-112.82
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC3=C(C=CC4=C3C=CC=C4)O2)C1	REAL300003088626	0	45	-2.0	-116.36	374.85	12.40	-103.96
CC1=CC(N2CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])CC2=O)=CC=C1F	REAL300003088627	0	47	-2.0	-108.03	378.53	9.41	-98.62
CCOC1=CC=CC=C1C(F)(F)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088628	0	43	-2.0	-120.04	356.82	8.91	-111.13
CC1=NN(CC(F)(F)F)C(C)=C1CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088629	0	45	-2.0	-109.31	380.20	9.57	-99.74
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC(C3=COC=C3)=C2)C1	REAL300003088630	0	40	-2.0	-114.06	333.12	10.21	-103.85
CCN1N=CC=C1C=CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088631	0	40	-2.0	-109.86	334.15	7.69	-102.17
CCOC1=CC=CC=C1C1=CC=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003088632	0	50	-2.0	-120.31	407.56	11.71	-108.60
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(C3=NC(C4CC4)=NO3)C=C2)C1	REAL300003088633	0	45	-2.0	-108.04	376.94	9.45	-98.59
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=NC(OC3CCOC3)=C2)C1	REAL300003088634	0	44	-2.0	-109.07	356.92	5.87	-103.20
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C3N=S=NC3=C2)C1	REAL300003088635	0	34	-2.0	-110.44	301.77	6.02	-104.42
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(C(=O)NC3=CC=CC=C3)C=C2)C1	REAL300003088636	0	47	-2.0	-111.45	387.37	9.63	-101.82
COC1=CC2=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=C(C3CC3)N=C2C=C1	REAL300003088637	0	49	-2.0	-121.56	394.31	10.27	-111.29
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NN(C3=CC=CC=C3F)C(=O)C=C2)C1	REAL300003088638	0	42	-2.0	-111.16	360.79	9.62	-101.54
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=NC(OC3CCCCC3)=C2)C1	REAL300003088639	0	49	-2.0	-109.15	388.21	8.22	-100.93
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(OC3CCCC3)N=C2)C1	REAL300003088640	0	46	-2.0	-108.46	365.95	8.38	-100.08
CC(C)COC1=NC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1Cl	REAL300003088641	0	45	-2.0	-107.20	383.91	7.34	-99.86
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN=CC(C3=CC=C4OCCC4=C3)=C2)C1	REAL300003088642	0	47	-2.0	-113.02	378.32	9.97	-103.05
CCNS(=O)(=O)C1=CC=C(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003088643	0	47	-2.0	-113.47	396.87	5.50	-107.97
CC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=NN1C1=CC=CC(Cl)=C1	REAL300003088644	0	43	-2.0	-125.59	370.50	11.12	-114.47
CC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=NN1C1=CC(C)=CC(C)=C1	REAL300003088645	0	49	-2.0	-124.66	395.94	12.09	-112.57
CN1C(=O)CCC2=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=CC=C21	REAL300003088646	0	44	-2.0	-109.10	353.97	9.63	-99.47
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN=C(CC3=CC=CC=C3)S2)C1	REAL300003088647	0	42	-2.0	-110.03	364.69	9.28	-100.75
CCS(=O)(=O)C1=CC=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003088648	0	42	-2.0	-115.70	359.55	7.14	-108.56
COC1=C2C(CC(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=CNC2=CC=C1	REAL300003088649	0	44	-2.0	-118.21	360.39	8.97	-109.24
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CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])N=C(C2=CC=CC=C2F)O1	REAL300003088684	0	42	-2.0	-133.65	356.76	8.52	-125.13
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CC1=CC(C(=O)CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C(C)S1	REAL300003088692	0	44	-2.0	-111.84	372.64	9.85	-101.99
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COC1=CC=C(OC)C(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003088694	0	44	-2.0	-113.79	358.14	8.21	-105.58
CC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC=C1	REAL300003088695	0	39	-2.0	-109.53	311.64	9.68	-99.85
COC1=CC=C(C(=O)CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003088696	0	45	-2.0	-107.95	371.27	9.54	-98.41
CC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC=C1Cl	REAL300003088697	0	36	-2.0	-109.83	312.94	8.82	-101.01
CC1=CC(Cl)=CC=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088698	0	36	-2.0	-105.84	310.22	9.48	-96.36
COC1=CC=C(C(=O)CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1F	REAL300003088699	0	45	-2.0	-112.79	378.01	8.66	-104.13
COC1=C(C)C=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1C	REAL300003088700	0	43	-2.0	-110.39	353.33	9.67	-100.72
CC(C)OC1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003088701	0	47	-2.0	-109.82	379.56	11.01	-98.81
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NN(C3=CC=CC=C3[N+](=O)[O-])C=C2)C1	REAL300003088702	0	42	-2.0	-133.55	368.04	10.78	-122.77
COC1=CC=C(C(=O)CCCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003088703	0	48	-2.0	-116.63	392.77	10.32	-106.31
CC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300003088704	0	38	-2.0	-113.33	329.43	10.09	-103.24
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC3=C2CCC3)C1	REAL300003088705	0	40	-2.0	-116.33	315.93	10.41	-105.92
CC(C)OCCCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088706	0	42	-2.0	-108.05	338.08	7.20	-100.85
C[C@H](C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC=C1	REAL300003088707	0	39	-2.0	-108.33	314.65	9.77	-98.56
CO[C@@H](C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC=C1	REAL300003088708	0	40	-2.0	-108.74	325.54	8.72	-100.02
CCN(CC)C(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003088709	0	49	-2.0	-110.06	387.34	10.03	-100.03
CC1=CC=C(Cl)C=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088710	0	36	-2.0	-110.04	311.57	9.59	-100.45
CN1C=C([N+](=O)[O-])C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300003088711	0	35	-2.0	-125.49	302.48	7.87	-117.62
CC1=CC=CC(C)=C1CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088712	0	42	-2.0	-110.89	334.89	9.66	-101.23
CCCCCCC(CC)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088713	0	50	-2.0	-108.15	377.29	10.32	-97.83
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(C3CCC3)C=C2)C1	REAL300003088714	0	43	-2.0	-112.03	339.62	11.16	-100.87
CCC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=C(OC)C=C1	REAL300003088715	0	46	-2.0	-109.52	364.51	8.92	-100.60
CC1=CC=C(CC(C)C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003088716	0	45	-2.0	-112.59	354.25	10.26	-102.33
CC(C)C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300003088717	0	39	-2.0	-111.35	328.94	9.71	-101.64
CC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1CCOCC1	REAL300003088718	0	43	-2.0	-108.79	328.62	7.62	-101.17
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC2CCCOC2)C1	REAL300003088719	0	43	-2.0	-108.44	334.03	7.23	-101.21
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CC23CCC2=CC=CC=C23)C1	REAL300003088720	0	44	-2.0	-113.36	352.89	10.91	-102.45
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CC23CCS(=O)(=O)CC3)C1	REAL300003088721	0	43	-2.0	-115.02	348.32	6.14	-108.88
CCC(CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=C(OC)C=C1	REAL300003088722	0	49	-2.0	-110.08	385.16	9.74	-100.34
CS(=O)(=O)C1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CS1	REAL300003088723	0	36	-2.0	-117.01	330.00	4.23	-112.78
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC2=CC=CC=N2)C1	REAL300003088724	0	38	-2.0	-113.08	316.37	7.66	-105.42
CC1=NN(C)C2=NC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=C12	REAL300003088725	0	41	-2.0	-108.47	343.16	7.37	-101.10
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(N3C=NC=N3)N=C2)C1	REAL300003088726	0	38	-2.0	-105.92	323.44	10.35	-95.57
CC1=NC(COC2=CC=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=C2)=NO1	REAL300003088727	0	45	-2.0	-119.52	380.34	6.52	-113.00
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(C(F)(F)F)C=N2)C1	REAL300003088728	0	35	-2.0	-113.32	308.90	7.64	-105.68
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NC=CC3=CC=CC=C32)C1	REAL300003088729	0	38	-2.0	-123.51	320.35	8.14	-115.37
CCC1=CC=CC=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088730	0	39	-2.0	-113.39	314.01	9.65	-103.74
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC=C(F)C(F)=C2)C1	REAL300003088731	0	36	-2.0	-103.21	313.05	9.70	-93.51
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=C(F)C=CC=C2F)C1	REAL300003088732	0	36	-2.0	-112.38	310.97	9.63	-102.75
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NOC(C3=CC=CC(Cl)=C3)=C2)C1	REAL300003088733	0	39	-2.0	-112.16	348.42	10.71	-101.45
CC1=CC(C)=C(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C(C)=C1	REAL300003088734	0	45	-2.0	-111.23	356.29	10.33	-100.90
COC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC=C1F	REAL300003088735	0	37	-2.0	-108.44	313.22	7.09	-101.35
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(Cl)C(F)=C2)C1	REAL300003088736	0	33	-2.0	-110.66	300.09	8.29	-102.37
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CSC3=CC=C(Cl)C=C23)C1	REAL300003088737	0	39	-2.0	-109.67	353.49	11.45	-98.22
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=NC=C2Cl)C1	REAL300003088738	0	32	-2.0	-104.99	279.04	7.03	-97.96
CC1=CC=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1Br	REAL300003088739	0	36	-2.0	-112.61	314.00	8.77	-103.84
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC=CC(F)=C2F)C1	REAL300003088740	0	36	-2.0	-109.51	311.86	9.65	-99.86
CC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C(Br)=C1	REAL300003088741	0	36	-2.0	-111.35	309.64	9.71	-101.64
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC=C(F)C=C2F)C1	REAL300003088742	0	36	-2.0	-107.69	312.21	9.68	-98.01
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC(OC(F)(F)F)=C2)C1	REAL300003088743	0	37	-2.0	-107.70	323.49	7.53	-100.17
CC1=NC=C([N+](=O)[O-])C=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088744	0	37	-2.0	-110.11	316.19	6.95	-103.16
CC(=O)C1=CNC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003088745	0	36	-2.0	-110.60	303.48	6.38	-104.22
CC1=NC(C2=CC=CC=C2)=CC=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088746	0	45	-2.0	-111.09	367.23	10.84	-100.25
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C2C=NN(C(C)C)C2=N1	REAL300003088747	0	47	-2.0	-107.95	382.01	9.67	-98.28
COC1=CC2=NC(C)=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=C2C=C1	REAL300003088748	0	45	-2.0	-110.94	365.71	8.66	-102.28
CC1=NOC2=NC(C(C)C)=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=C12	REAL300003088749	0	46	-2.0	-99.90	368.03	7.05	-92.85
CC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C2C=NN(C(C)C)C2=N1	REAL300003088750	0	47	-2.0	-109.42	380.14	9.84	-99.58
CC1=NOC2=NC(C3=CC=CO3)=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=C12	REAL300003088751	0	44	-2.0	-103.67	371.75	7.14	-96.53
COC1=CC2=CC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])N=C2C=C1	REAL300003088752	0	42	-2.0	-117.21	346.29	8.84	-108.37
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NOC(C3=CC=C(Cl)C=C3)=C2)C1	REAL300003088753	0	39	-2.0	-115.72	349.44	9.79	-105.93
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC=CC3=CC=CN=C32)C1	REAL300003088754	0	41	-2.0	-119.50	340.35	10.10	-109.40
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=C(C=CC4=C3C=CC=C4)N2)C1	REAL300003088755	0	43	-2.0	-114.41	354.00	11.46	-102.95
CCS(=O)(=O)C1=CC=CC(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003088756	0	45	-2.0	-120.49	382.51	7.99	-112.50
CC1=CC(C)=C(Br)C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003088757	0	39	-2.0	-114.37	340.38	10.59	-103.78
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(NC(=O)C3=CC=CN=C3)=CC=C2)C1	REAL300003088758	0	46	-2.0	-115.05	380.91	7.86	-107.19
CC1=CC(C)=NN1C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300003088759	0	45	-2.0	-113.56	372.66	9.58	-103.98
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(OCC3=CC=CC=C3)N=C2)C1	REAL300003088760	0	46	-2.0	-109.00	381.89	9.21	-99.79
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(OC3=CC=CC=C3)N=C2)C1	REAL300003088761	0	43	-2.0	-108.80	359.77	8.86	-99.94
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)COC2=CC=CC=C2Br)C1	REAL300003088762	0	37	-2.0	-109.69	330.30	9.24	-100.45
CN(C1=CC=CC=C1)C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300003088763	0	47	-2.0	-112.31	383.54	11.81	-100.50
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CNC(=O)COC2=CC=CC=C2)C1	REAL300003088764	0	44	-2.0	-106.96	368.23	7.89	-99.07
CC(NC(=O)C1=CC=CO1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088765	0	40	-2.0	-108.67	335.94	5.74	-102.93
CC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C(C)N1C1=CC=CC=C1C	REAL300003088766	0	50	-2.0	-120.66	401.25	12.38	-108.28
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])OC2=C1C=CC1=C2C=CC=C1	REAL300003088767	0	45	-2.0	-121.85	370.43	12.13	-109.72
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCNS(=O)(=O)C2=CC=CC=C2)C1	REAL300003088768	0	44	-2.0	-111.21	376.93	4.99	-106.22
COC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1OC1CCCC1	REAL300003088769	0	51	-2.0	-113.20	399.16	9.77	-103.43
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])NC2=C1C(=O)CC(C)(C)C2	REAL300003088770	0	49	-2.0	-114.83	379.25	10.05	-104.78
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2OC3=CC=CC=C3NC2=O)C1	REAL300003088771	0	42	-2.0	-113.43	349.06	7.29	-106.14
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(C3CC3)=NC3=CC=CC=C32)C1	REAL300003088772	0	45	-2.0	-114.57	364.86	10.97	-103.60
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCCCS2(=O)=O)C1	REAL300003088773	0	39	-2.0	-123.70	317.62	5.49	-118.21
CC(=O)C1=C(C)NC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1C(C)C	REAL300003088774	0	48	-2.0	-111.77	385.75	9.61	-102.16
CC1=NOC(C)=C1C(C)CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088775	0	44	-2.0	-107.42	346.63	8.44	-98.98
COC1=C(Br)SC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003088776	0	34	-2.0	-103.89	317.77	7.57	-96.32
CC(=O)N(CCC1=CC=CC=C1)CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088777	0	49	-2.0	-109.74	394.90	11.09	-98.65
CC1=CN(C2=CC=CC=C2Cl)N=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088778	0	43	-2.0	-132.65	355.28	10.26	-122.39
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=NN1C1CCOCC1	REAL300003088779	0	47	-2.0	-113.60	369.17	7.87	-105.73
CCC(CC)N1N=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1C	REAL300003088780	0	48	-2.0	-122.89	378.00	10.27	-112.62
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CC2C2=CC=CC=C2Cl)C1	REAL300003088781	0	40	-2.0	-107.78	333.75	10.27	-97.51
CC1=CN(C2=CC=C(F)C=C2)N=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088782	0	43	-2.0	-127.81	360.44	10.14	-117.67
CCOC1=C(Cl)C=CC=C1CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088783	0	43	-2.0	-110.35	367.82	10.44	-99.91
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2CC(C3=CC=CC=C3)C2)C1	REAL300003088784	0	46	-2.0	-108.17	363.32	12.12	-96.05
CCC1=CC=C(S(C)(=O)=O)C=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088785	0	45	-2.0	-119.46	375.00	7.31	-112.15
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC(C3CCOC3)=C2)C1	REAL300003088786	0	44	-2.0	-110.72	352.04	9.10	-101.62
CC1=CC(S(C)(=O)=O)=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1C	REAL300003088787	0	45	-2.0	-121.82	371.50	7.03	-114.79
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C3CCCN3N=C2)C1	REAL300003088788	0	37	-2.0	-115.68	301.16	7.25	-108.43
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])SC2=CC(F)=CC=C12	REAL300003088789	0	39	-2.0	-112.35	337.51	10.62	-101.73
CC(C)NS(=O)(=O)C1=CC=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003088790	0	47	-2.0	-119.84	389.32	6.23	-113.61
COC1=CC2=CC=C([C@H](C)C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=C2C=C1	REAL300003088791	0	49	-2.0	-111.53	386.46	11.14	-100.39
C[C@@H](C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC=C1	REAL300003088792	0	39	-2.0	-108.08	312.50	9.67	-98.41
CC[C@H]1CC[C@H](C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300003088793	0	45	-2.0	-108.59	340.50	10.34	-98.25
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC(C(F)F)=C2)C1	REAL300003088794	0	36	-2.0	-110.60	304.60	9.38	-101.22
COC1=CC=C(F)C=C1CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088795	0	40	-2.0	-109.80	335.06	9.00	-100.80
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])NC2=CC=C(C)C=C21	REAL300003088796	0	43	-2.0	-112.24	354.71	10.05	-102.19
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C(C(C)C)O1	REAL300003088797	0	42	-2.0	-110.54	339.91	9.73	-100.81
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CSC(C(F)(F)F)=N2)C1	REAL300003088798	0	32	-2.0	-119.81	301.55	6.53	-113.28
CC(CCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC=C1	REAL300003088799	0	45	-2.0	-107.73	357.53	11.53	-96.20
CC1=CC=C2C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=CSC2=C1	REAL300003088800	0	39	-2.0	-115.83	329.10	10.59	-105.24
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN=C(C(F)(F)F)N=C2)C1	REAL300003088801	0	34	-2.0	-97.91	303.66	6.86	-91.05
CCC1=CC=CC=C1CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088802	0	42	-2.0	-108.86	335.78	10.69	-98.17
CC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=C(F)C=CC=C1F	REAL300003088803	0	39	-2.0	-112.52	321.16	8.97	-103.55
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CNC3=CC=C(Cl)C=C23)C1	REAL300003088804	0	40	-2.0	-114.68	349.06	10.14	-104.54
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(C3CC3)=NO2)C1	REAL300003088805	0	36	-2.0	-107.33	303.83	8.24	-99.09
CC(CC1=CC=CC=C1Cl)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088806	0	42	-2.0	-109.79	342.49	9.90	-99.89
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC=C(Cl)S2)C1	REAL300003088807	0	33	-2.0	-103.37	307.61	9.31	-94.06
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCCC2CCOCC2)C1	REAL300003088808	0	46	-2.0	-107.64	355.61	8.00	-99.64
COC1=CC=CC(CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1F	REAL300003088809	0	43	-2.0	-112.90	356.97	8.78	-104.12
CC1(C)CCCC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C1	REAL300003088810	0	45	-2.0	-109.60	334.12	8.88	-100.72
CC1=CC(C=CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC(C)=C1	REAL300003088811	0	43	-2.0	-112.66	352.59	10.51	-102.15
CC(C)C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1Cl	REAL300003088812	0	42	-2.0	-109.66	351.31	10.07	-99.59
CC1(C)CCCCC1CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088813	0	48	-2.0	-108.44	346.57	10.41	-98.03
COCC1=CC=CC(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003088814	0	43	-2.0	-109.41	355.41	9.30	-100.11
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C3C=CCCC3=C2)C1	REAL300003088815	0	41	-2.0	-113.62	332.64	11.10	-102.52
CSC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC=C1F	REAL300003088816	0	37	-2.0	-108.01	323.47	8.78	-99.23
CC(C)(CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C(F)(F)F	REAL300003088817	0	38	-2.0	-103.25	308.43	7.77	-95.48
CC(OC1=CC=CC2=CC=CC=C21)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088818	0	46	-2.0	-116.28	367.40	11.15	-105.13
COC1=CC=C(CCCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C(OC)=C1	REAL300003088819	0	50	-2.0	-112.83	401.49	8.87	-103.96
COC1=C2C=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])NC2=C(F)C=C1	REAL300003088820	0	41	-2.0	-113.28	347.38	8.20	-105.08
CC(C)(C)C1=CC=C(C2=CC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])O2)C=C1	REAL300003088821	0	52	-2.0	-118.20	412.71	12.93	-105.27
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC3=C(C=C2[N+](=O)[O-])OCCO3)C1	REAL300003088822	0	44	-2.0	-122.82	368.54	8.24	-114.58
CC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=NC(C(F)(F)F)=N1	REAL300003088823	0	37	-2.0	-118.42	328.72	7.48	-110.94
CC1=CC=C(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1Br	REAL300003088824	0	39	-2.0	-107.59	339.84	10.77	-96.82
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCCC2=CC=CC(C(F)(F)F)=C2)C1	REAL300003088825	0	45	-2.0	-109.54	382.42	11.21	-98.33
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCCC2=CC(F)=CC=C2F)C1	REAL300003088826	0	42	-2.0	-109.82	355.55	10.31	-99.51
CCCOC1=CC=CC(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003088827	0	46	-2.0	-111.39	373.20	10.61	-100.78
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC=CC(OCC(F)(F)F)=C2)C1	REAL300003088828	0	43	-2.0	-111.81	371.28	10.27	-101.54
CC(C)CC1=CC=C(CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003088829	0	51	-2.0	-108.30	403.34	12.12	-96.18
CCCN1C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC2=CC=CC=C21	REAL300003088830	0	46	-2.0	-114.24	365.24	11.53	-102.71
CN(C)S(=O)(=O)C1=CN(C)C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003088831	0	45	-2.0	-123.28	374.95	4.81	-118.47
COC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300003088832	0	42	-2.0	-110.90	352.16	9.45	-101.45
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NOC(COC3=CC=CC=C3F)=C2)C1	REAL300003088833	0	43	-2.0	-123.89	370.84	9.02	-114.87
COC1=CC=C(CC(C)C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1OC	REAL300003088834	0	50	-2.0	-111.60	395.48	8.92	-102.68
CCCCS(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003088835	0	48	-2.0	-113.25	399.02	8.58	-104.67
CCC(C)(C)C1CCC(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300003088836	0	57	-2.0	-108.70	396.12	11.15	-97.55
CS(=O)(=O)C1=CC=CC=C1CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088837	0	42	-2.0	-120.35	347.87	6.82	-113.53
COC1=CC=C(OC)C(C2CC2C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003088838	0	48	-2.0	-114.34	377.68	9.22	-105.12
CCC1=CC=C2OC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C2=C1	REAL300003088839	0	42	-2.0	-113.59	346.81	9.44	-104.15
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C(F)C2=CC=C(C(F)(F)F)C=C2)C1	REAL300003088840	0	39	-2.0	-107.23	341.83	9.63	-97.60
CC(C)C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300003088841	0	44	-2.0	-107.83	357.14	11.06	-96.77
CC1=CC2=C(C=C1C)C(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])CO2	REAL300003088842	0	44	-2.0	-109.80	347.66	9.56	-100.24
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CN2C3=CC=CC=C3N=C2C(F)(F)F)C1	REAL300003088843	0	42	-2.0	-108.79	365.60	9.68	-99.11
CC(C)C1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=NO1	REAL300003088844	0	38	-2.0	-117.67	317.01	7.76	-109.91
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(F)C(Cl)=C2)C1	REAL300003088845	0	33	-2.0	-105.07	300.09	8.28	-96.79
CC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC=C1Br	REAL300003088846	0	36	-2.0	-109.92	316.97	8.91	-101.01
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC=C(F)C=C2Cl)C1	REAL300003088847	0	36	-2.0	-105.28	320.99	10.08	-95.20
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC=CC(OC(F)(F)F)=C2)C1	REAL300003088848	0	40	-2.0	-106.28	346.34	9.37	-96.91
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC(F)=CC=C2Br)C1	REAL300003088849	0	36	-2.0	-105.07	324.96	10.17	-94.90
CC1=C(Cl)C=CC=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088850	0	36	-2.0	-108.04	307.80	9.40	-98.64
COC1=CC=C2OCC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])CC2=C1	REAL300003088851	0	45	-2.0	-109.45	360.17	7.60	-101.85
CC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC(C)=C1F	REAL300003088852	0	39	-2.0	-107.05	326.79	10.10	-96.95
CCC1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])O1	REAL300003088853	0	40	-2.0	-115.96	335.82	8.98	-106.98
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(Cl)=CC(C(F)(F)F)=C2)C1	REAL300003088854	0	36	-2.0	-103.46	330.42	10.12	-93.34
CCC(CC1=CC=CC=C1C)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088855	0	48	-2.0	-111.08	365.82	10.81	-100.27
CC(=O)NC1=CC=CC(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003088856	0	43	-2.0	-109.31	355.75	8.25	-101.06
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C(Br)O1	REAL300003088857	0	33	-2.0	-109.07	298.55	7.12	-101.95
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCCC(F)C2)C1	REAL300003088858	0	39	-2.0	-108.55	306.63	9.06	-99.49
C=CCCN1C=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])N=N1	REAL300003088859	0	39	-2.0	-122.43	330.97	6.73	-115.70
CC1=C(Cl)C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=NN1C	REAL300003088860	0	36	-2.0	-116.75	310.91	7.66	-109.09
CC1=C(F)C=CC=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088861	0	36	-2.0	-108.17	298.97	8.99	-99.18
CS(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300003088862	0	36	-2.0	-113.75	328.69	5.15	-108.60
CC(C)(C)C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])N=C1	REAL300003088863	0	44	-2.0	-119.65	346.51	8.96	-110.69
CC1=CC(C)=C([N+](=O)[O-])C=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088864	0	41	-2.0	-111.19	340.18	10.34	-100.85
CN1N=C(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C2=CC=CC=C21	REAL300003088865	0	42	-2.0	-115.70	350.29	9.45	-106.25
CC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC=C1N1C=CC=N1	REAL300003088866	0	43	-2.0	-112.58	354.54	9.76	-102.82
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(OCC3=CC=NC=C3)C=C2)C1	REAL300003088867	0	46	-2.0	-110.82	379.95	10.07	-100.75
CC1=C(Br)C=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300003088868	0	33	-2.0	-106.20	307.19	8.91	-97.29
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NC3=CN=CC=C3C=C2)C1	REAL300003088869	0	37	-2.0	-117.75	311.82	7.78	-109.97
CC1=C2OC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C2=CC=C1	REAL300003088870	0	39	-2.0	-112.12	323.82	8.61	-103.51
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC=C(N3C=NN=C3)C=C2)C1	REAL300003088871	0	42	-2.0	-111.70	350.15	11.44	-100.26
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC2=CC=CC(OC(F)F)=C2)C1	REAL300003088872	0	43	-2.0	-108.32	361.00	9.98	-98.34
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=COC(C3=C(F)C=CC=C3F)=N2)C1	REAL300003088873	0	39	-2.0	-129.77	343.18	7.74	-122.03
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN3CCCC3=N2)C1	REAL300003088874	0	37	-2.0	-124.25	302.31	9.04	-115.21
CC1=CSC(CCCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300003088875	0	41	-2.0	-111.28	350.28	7.93	-103.35
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=COC3=CC=C(F)C=C23)C1	REAL300003088876	0	36	-2.0	-110.48	310.34	8.08	-102.40
CC1CCN2N=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=C2C1	REAL300003088877	0	43	-2.0	-116.58	341.34	7.52	-109.06
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=CC=CC(Cl)=C3S2)C1	REAL300003088878	0	36	-2.0	-114.97	329.96	10.51	-104.46
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CN2N=NN=C2C2=CSC=C2)C1	REAL300003088879	0	38	-2.0	-109.94	334.37	7.47	-102.47
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])N=NN1C1=CC=C(F)C(F)=C1	REAL300003088880	0	42	-2.0	-119.36	358.01	8.47	-110.89
CN1N=C(C2CC2)N=C1CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088881	0	42	-2.0	-113.31	348.91	9.02	-104.29
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC3=CC=NC=C32)C1	REAL300003088882	0	38	-2.0	-119.27	314.99	8.91	-110.36
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CN2C=CC3=CC=C(F)C=C32)C1	REAL300003088883	0	40	-2.0	-109.50	339.68	11.05	-98.45
CC1=NC2=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=C(Cl)C=C2C=C1	REAL300003088884	0	41	-2.0	-124.95	360.03	10.43	-114.52
CSC1=CC=C(CCCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003088885	0	46	-2.0	-108.53	383.41	12.19	-96.34
C=CCN1C=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])N=N1	REAL300003088886	0	36	-2.0	-122.86	309.46	5.96	-116.90
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCC3=CC(Br)=CC=C32)C1	REAL300003088887	0	40	-2.0	-109.54	343.59	10.09	-99.45
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC=C3OCCCC3=C2)C1	REAL300003088888	0	44	-2.0	-109.44	354.05	10.21	-99.23
CC(C)(C)N1C=NC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300003088889	0	41	-2.0	-122.95	333.61	8.73	-114.22
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=C3C=CC=CN3N=C2)C1	REAL300003088890	0	39	-2.0	-115.37	327.85	9.35	-106.02
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NN3CCOCC3=C2)C1	REAL300003088891	0	38	-2.0	-117.71	311.31	6.21	-111.50
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCC3=NC=NC=C3C2)C1	REAL300003088892	0	41	-2.0	-105.03	328.17	9.06	-95.97
CCCC1=CC=C(CCCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003088893	0	51	-2.0	-107.98	407.58	13.39	-94.59
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(C3=CC=CC=C3)N=C2)C1	REAL300003088894	0	42	-2.0	-111.87	349.22	9.59	-102.28
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC=CC(CC(F)(F)F)=C2)C1	REAL300003088895	0	42	-2.0	-107.60	361.33	11.35	-96.25
CC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC=C1N1CCOCC1	REAL300003088896	0	49	-2.0	-113.91	384.90	7.86	-106.05
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN(C3CCC3)N=N2)C1	REAL300003088897	0	39	-2.0	-121.74	319.81	6.48	-115.26
CC1(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CC1(F)Cl	REAL300003088898	0	36	-2.0	-101.36	311.49	8.92	-92.44
CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088899	0	45	-2.0	-110.54	348.99	9.41	-101.13
NS(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003088900	0	38	-2.0	-111.70	328.04	3.52	-108.18
NS(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])O1	REAL300003088901	0	35	-2.0	-116.62	313.70	1.81	-114.81
COC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=NN1C	REAL300003088902	0	37	-2.0	-115.39	301.60	5.11	-110.28
CC1(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CCCCC1	REAL300003088903	0	45	-2.0	-107.09	327.78	9.87	-97.22
CC1=CC=CC(C2=CC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])N2C)=C1	REAL300003088904	0	47	-2.0	-113.51	375.07	11.94	-101.57
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCC3=CC=CC=C3C2)C1	REAL300003088905	0	43	-2.0	-110.66	340.22	11.14	-99.52
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)COCCC2=CC=CC(F)=C2)C1	REAL300003088906	0	43	-2.0	-108.73	362.72	10.36	-98.37
CC(COCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC=C1	REAL300003088907	0	46	-2.0	-109.64	373.13	10.82	-98.82
COCCN1C=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300003088908	0	40	-2.0	-121.61	333.41	5.90	-115.71
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCCC3=C(O)C=CC=C32)C1	REAL300003088909	0	44	-2.0	-112.46	346.39	8.25	-104.21
CCC1CCCCC1OCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088910	0	49	-2.0	-111.81	372.95	10.52	-101.29
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN=C(CC3=CC=CC=C3F)S2)C1	REAL300003088911	0	42	-2.0	-112.20	369.94	10.31	-101.89
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C=CC2CCCCCC2)C1	REAL300003088912	0	46	-2.0	-110.74	348.59	9.98	-100.76
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCS(=O)(=O)N2)C1	REAL300003088913	0	35	-2.0	-114.48	296.39	2.07	-112.41
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1	REAL300003088914	0	41	-2.0	-108.55	307.42	8.54	-100.01
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NN(C3=CC=C(Cl)C=C3)C=C2)C1	REAL300003088915	0	40	-2.0	-125.13	350.71	9.84	-115.29
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN(C3=CC=CC(Cl)=C3)N=N2)C1	REAL300003088916	0	39	-2.0	-114.05	346.80	9.39	-104.66
CC1=NN(C(C)(C)C)C=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088917	0	45	-2.0	-112.84	363.71	9.18	-103.66
COCCOC1=CC=C(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003088918	0	47	-2.0	-112.01	384.21	7.96	-104.05
CC1(C)COC2=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=CC=C21	REAL300003088919	0	44	-2.0	-122.79	349.55	9.79	-113.00
CN(C)C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1F	REAL300003088920	0	41	-2.0	-108.27	338.24	7.26	-101.01
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC3=C2OCCCO3)C1	REAL300003088921	0	42	-2.0	-118.15	334.37	8.96	-109.19
CC(CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])N1C=CN=C1	REAL300003088922	0	39	-2.0	-102.54	318.18	9.41	-93.13
CC1=NN=NN1C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003088923	0	41	-2.0	-114.17	344.15	7.71	-106.46
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCCC2=CC=C3CCCCC3=C2)C1	REAL300003088924	0	52	-2.0	-109.73	406.39	12.71	-97.02
CC(C)C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])N=C1	REAL300003088925	0	41	-2.0	-119.83	330.40	8.55	-111.28
CSC1=CC=CN=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088926	0	36	-2.0	-125.12	306.09	7.71	-117.41
CC1=NN(CC2CC2)C(C)=C1CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088927	0	49	-2.0	-110.50	394.69	10.75	-99.75
CCN1C=CC(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300003088928	0	39	-2.0	-116.72	323.91	8.18	-108.54
CC1=CC=C(C2=NC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])S2)C=C1C	REAL300003088929	0	45	-2.0	-110.24	379.04	10.67	-99.57
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC2=CC=C3OC(F)(F)OC3=C2)C1	REAL300003088930	0	42	-2.0	-108.27	361.80	8.54	-99.73
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C(C(F)F)N(C3=CC=CC=C3)N=N2)C1	REAL300003088931	0	42	-2.0	-110.14	354.83	9.14	-101.00
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCC3(CC3(F)F)CC2)C1	REAL300003088932	0	43	-2.0	-114.26	332.93	9.04	-105.22
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(C(F)F)C=C2F)C1	REAL300003088933	0	36	-2.0	-114.57	310.93	9.58	-104.99
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2OCC3=CC(Cl)=CC=C32)C1	REAL300003088934	0	41	-2.0	-110.16	351.59	9.87	-100.29
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(OCC(F)(F)F)O2)C1	REAL300003088935	0	37	-2.0	-103.39	331.44	8.51	-94.88
CC1=C(C2=CC=CC=C2)SC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003088936	0	43	-2.0	-114.02	364.49	11.76	-102.26
CC1=NN(C(C)C)C=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088937	0	42	-2.0	-110.25	336.96	8.37	-101.88
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC2=C(Cl)C=CC=C2Cl)C1	REAL300003088938	0	39	-2.0	-109.62	349.85	11.24	-98.38
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(C(F)F)N=C2)C1	REAL300003088939	0	35	-2.0	-107.52	306.93	6.82	-100.70
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C3OCCOC3=CS2)C1	REAL300003088940	0	36	-2.0	-115.54	310.79	6.20	-109.34
CCC1=C(C2=CC=CC=C2)SC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003088941	0	46	-2.0	-114.01	388.84	12.97	-101.04
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCCC2=C(F)C=CC=C2F)C1	REAL300003088942	0	42	-2.0	-112.22	354.31	10.27	-101.95
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CN3CCCCC3=N2)C1	REAL300003088943	0	43	-2.0	-118.95	343.81	8.93	-110.02
CC(=CC1=CC=NC=C1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088944	0	39	-2.0	-107.17	319.63	8.84	-98.33
CC(=CC1=CC=CC=N1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088945	0	39	-2.0	-115.41	320.91	8.64	-106.77
CC(=CC1=CC=CN=C1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088946	0	39	-2.0	-115.88	313.06	7.56	-108.32
CC(=CC1=CC=CO1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088947	0	37	-2.0	-123.25	298.65	7.41	-115.84
CC(C)(C)C1=CC=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003088948	0	45	-2.0	-114.43	353.50	9.97	-104.46
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CS(=O)(=O)N1CCC(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300003088952	0	47	-2.0	-112.88	375.02	5.34	-107.54
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COC1=CC=C2CCCC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C2=C1	REAL300003088954	0	47	-2.0	-119.74	365.65	10.15	-109.59
COC1=CN2N=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=C2C=C1	REAL300003088955	0	40	-2.0	-115.17	334.48	7.69	-107.48
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC2CCCCCC2)C1	REAL300003088956	0	48	-2.0	-106.27	353.55	10.96	-95.31
CC1(C)CC2=CC=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=C2O1	REAL300003088957	0	44	-2.0	-122.51	357.18	10.02	-112.49
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCCS2(=O)=O)C1	REAL300003088958	0	36	-2.0	-118.65	298.52	5.10	-113.55
CN(C)C1=NC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1Cl	REAL300003088959	0	40	-2.0	-107.62	343.64	6.79	-100.83
CC(C)OC1=CC=CC=C1C(F)(F)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088960	0	46	-2.0	-114.50	372.88	10.39	-104.11
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])NC(=O)C2=CC=CC=C12	REAL300003088961	0	42	-2.0	-113.09	346.81	8.11	-104.98
CC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300003088962	0	39	-2.0	-105.67	331.87	9.38	-96.29
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COC(CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C(F)(F)F	REAL300003088964	0	36	-2.0	-102.36	308.34	7.09	-95.27
CSCC1(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300003088965	0	40	-2.0	-107.85	331.59	9.54	-98.31
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2C3CC4CC(C3)CC2C4)C1	REAL300003088966	0	50	-2.0	-111.14	354.83	10.41	-100.73
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN=C(C3=CC=CC(Cl)=C3)S2)C1	REAL300003088967	0	39	-2.0	-111.97	357.72	9.05	-102.92
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=CN=CC=C3C=C2)C1	REAL300003088968	0	38	-2.0	-110.38	314.06	9.05	-101.33
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(C3=CC=CC=N3)N=C2)C1	REAL300003088969	0	41	-2.0	-112.43	342.28	8.86	-103.57
CC(C)CN1N=CC=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088970	0	42	-2.0	-106.39	334.67	8.40	-97.99
COC1=CC=NC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003088971	0	36	-2.0	-119.43	301.01	6.05	-113.38
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN(C3=CC=C(F)C=C3)N=C2)C1	REAL300003088972	0	40	-2.0	-113.71	342.56	8.95	-104.76
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CC(C)(C)N1N=NC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300003088974	0	40	-2.0	-118.03	331.24	5.95	-112.08
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC23CCCCC2C3(F)F)C1	REAL300003088975	0	43	-2.0	-109.88	337.45	9.43	-100.45
CC1=CC(Br)=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1C	REAL300003088976	0	39	-2.0	-108.93	332.11	10.11	-98.82
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COC1=CC=C([C@@H]2C[C@H]2CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003088978	0	47	-2.0	-110.52	378.66	10.05	-100.47
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CC1(C)CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CC(C)(C)C1	REAL300003088981	0	51	-2.0	-109.40	370.07	10.85	-98.55
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CCCCCC1=NNC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003088986	0	45	-2.0	-105.62	365.01	9.16	-96.46
CCCCCC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=NN1	REAL300003088986	1	45	-2.0	-115.58	363.75	9.28	-106.30
CC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C(C)N1C1CCOCC1	REAL300003088987	0	51	-2.0	-118.15	383.64	9.79	-108.36
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C3C(Cl)=CC=CN3N=C2)C1	REAL300003088988	0	36	-2.0	-118.63	315.09	8.72	-109.91
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CC(=CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CO1	REAL300003088990	0	37	-2.0	-113.10	309.55	8.04	-105.06
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COC1=CC=C([C@@H]2C[C@H]2C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003088992	0	44	-2.0	-109.43	356.52	10.18	-99.25
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(C(=O)C3=CC=CO3)=CC=C2)C1	REAL300003088993	0	42	-2.0	-110.90	352.45	10.18	-100.72
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC=C(C3CCCCC3)C=C2)C1	REAL300003088994	0	52	-2.0	-109.72	402.64	12.44	-97.28
COCC1=CN=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003088995	0	39	-2.0	-113.92	327.35	5.56	-108.36
COC1=CC=CC=C1C(F)(F)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003088996	0	40	-2.0	-112.67	333.03	8.81	-103.86
CC1=NNC2=CC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=C12	REAL300003088997	0	39	-2.0	-111.68	324.23	6.95	-104.73
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=COC(C3=CC=CN=C3)=N2)C1	REAL300003088998	0	38	-2.0	-125.87	328.65	5.53	-120.34
COCCCN1N=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=CC1=O	REAL300003088999	0	45	-2.0	-106.22	373.30	6.75	-99.47
CN1C(=O)C(C)(C)C2=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=CC=C21	REAL300003089000	0	47	-2.0	-107.66	376.12	10.02	-97.64
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(CF)C=C2)C1	REAL300003089001	0	36	-2.0	-111.92	301.88	9.38	-102.54
COC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC=C1C(F)(F)F	REAL300003089002	0	40	-2.0	-107.89	344.41	8.12	-99.77
COC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1CCOC1	REAL300003089003	0	41	-2.0	-107.86	321.92	5.59	-102.27
CC(C)(C)N1N=NC(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300003089004	0	43	-2.0	-115.08	353.71	7.16	-107.92
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C3COCCC3=C2)C1	REAL300003089005	0	41	-2.0	-109.28	333.51	8.60	-100.68
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC2CC2(F)F)C1	REAL300003089006	0	36	-2.0	-108.05	305.44	9.08	-98.97
COCCCOCCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089007	0	43	-2.0	-108.16	351.48	5.56	-102.60
COC1=CC=CC(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1Cl	REAL300003089008	0	40	-2.0	-111.29	343.13	9.32	-101.97
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NN3C=CC=NC3=N2)C1	REAL300003089009	0	34	-2.0	-133.23	294.19	8.59	-124.64
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C3C=CSC3=NC=N2)C1	REAL300003089010	0	34	-2.0	-110.36	301.59	8.34	-102.02
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=C(C=CC4=C3C=CC=C4)O2)C1	REAL300003089011	0	42	-2.0	-119.20	350.40	10.58	-108.62
CC1=C(S(C)(=O)=O)C=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])O1	REAL300003089012	0	39	-2.0	-120.10	337.92	5.13	-114.97
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=CSC=C3S2)C1	REAL300003089013	0	33	-2.0	-115.62	303.94	8.92	-106.70
CC1=CC=CC=C1CC(C)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089014	0	45	-2.0	-108.07	352.15	10.18	-97.89
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])OC(C(F)F)=C1	REAL300003089015	0	36	-2.0	-108.97	310.72	7.67	-101.30
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2C3CC4=C(Cl)C=CC=C4C32)C1	REAL300003089016	0	41	-2.0	-107.02	342.47	11.61	-95.41
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(C3CC3)C=C2)C1	REAL300003089017	0	40	-2.0	-113.64	326.02	9.79	-103.85
COC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1CCCC1	REAL300003089018	0	43	-2.0	-110.80	319.70	7.53	-103.27
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089019	0	43	-2.0	-112.09	344.88	10.34	-101.75
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CC3=CC=CC=C3CO2)C1	REAL300003089020	0	41	-2.0	-112.93	328.05	8.81	-104.12
COC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1CCCCC1	REAL300003089021	0	46	-2.0	-111.09	348.87	8.70	-102.39
CC(CC1=CC=CO1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089022	0	39	-2.0	-112.82	317.47	7.81	-105.01
CC1CC2=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=CC=C2O1	REAL300003089023	0	41	-2.0	-113.54	334.24	8.26	-105.28
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CC3(C2)CCCCC3)C1	REAL300003089024	0	46	-2.0	-108.44	345.18	10.73	-97.71
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(Cl)=CC3=CC=CC=C32)C1	REAL300003089025	0	39	-2.0	-116.39	337.33	11.33	-105.06
COCC1=CSC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003089026	0	37	-2.0	-111.29	321.69	7.43	-103.86
CC(CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1CCCO1	REAL300003089027	0	43	-2.0	-110.61	331.67	8.04	-102.57
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)[C@@H]2C[C@H]2C2=CC=CC(Cl)=C2Cl)C1	REAL300003089028	0	40	-2.0	-112.07	356.23	10.68	-101.39
CC1=CC=C2OC=C(CC(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C2=C1	REAL300003089029	0	42	-2.0	-112.03	349.42	10.58	-101.45
COC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=C(F)C=C1	REAL300003089030	0	40	-2.0	-105.38	333.62	8.46	-96.92
CCCC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC(Cl)=C1	REAL300003089031	0	45	-2.0	-106.62	373.03	11.67	-94.95
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CC3=C(Cl)C=CC=C32)C1	REAL300003089032	0	37	-2.0	-110.33	320.70	9.48	-100.85
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(C3=CSN=N3)C=C2)C1	REAL300003089033	0	38	-2.0	-120.31	333.78	7.73	-112.58
CC(CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CO1	REAL300003089034	0	39	-2.0	-107.95	319.12	8.09	-99.86
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCC3=CC=CC=C3CC2)C1	REAL300003089035	0	46	-2.0	-109.55	354.92	11.58	-97.97
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC(C2CCC2)C2CCC2)C1	REAL300003089036	0	49	-2.0	-108.78	363.87	11.29	-97.49
CC1=CC=C(COC(C)C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003089037	0	46	-2.0	-110.23	371.53	10.14	-100.09
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(OC3CC3(F)F)C=C2)C1	REAL300003089038	0	41	-2.0	-112.20	347.91	9.76	-102.44
CCCC(OCC)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089039	0	42	-2.0	-108.10	330.62	7.88	-100.22
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(OC(F)(F)F)C(Cl)=C2)C1	REAL300003089040	0	37	-2.0	-105.17	339.45	8.07	-97.10
COC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC=C1Br	REAL300003089041	0	37	-2.0	-108.89	327.40	7.69	-101.20
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2C3CC4=CC=CC=C4C32)C1	REAL300003089042	0	41	-2.0	-109.77	326.72	11.16	-98.61
CC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC=C1OC(F)(F)F	REAL300003089043	0	40	-2.0	-109.96	343.32	8.19	-101.77
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2COC3=CC(F)=CC=C3C2)C1	REAL300003089044	0	41	-2.0	-105.15	337.05	8.38	-96.77
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C(S(C)(=O)=O)O1	REAL300003089045	0	39	-2.0	-112.08	338.96	5.09	-106.99
CC1=CC=CC=C1COC(C)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089046	0	46	-2.0	-111.25	366.21	10.16	-101.09
CC(C)(C)O[C@@H]1C[C@H]1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089047	0	43	-2.0	-107.59	341.17	8.41	-99.18
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CSC(C(F)(F)F)=C2)C1	REAL300003089048	0	33	-2.0	-105.14	304.21	8.80	-96.34
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)[C@@H]2CC[C@@H](C3=CC=CC=C3)C2)C1	REAL300003089049	0	46	-2.0	-113.56	359.82	10.82	-102.74
COCCCN1C=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300003089050	0	43	-2.0	-113.35	353.41	7.02	-106.33
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN(C3CC3)N=C2)C1	REAL300003089051	0	37	-2.0	-116.34	309.86	6.99	-109.35
CC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=NN1C1CCOCC1	REAL300003089052	0	47	-2.0	-127.57	372.53	8.50	-119.07
CCOC1=CC=CC(C=CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003089053	0	44	-2.0	-111.54	361.12	9.41	-102.13
COC1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003089054	0	41	-2.0	-110.55	338.41	9.42	-101.13
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C3CCCCN3C=C2)C1	REAL300003089055	0	41	-2.0	-120.69	323.19	8.77	-111.92
CC1=NC(C2=CC=CS2)=C(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300003089056	0	42	-2.0	-111.98	371.48	9.91	-102.07
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCC3C(C2)C3(F)F)C1	REAL300003089057	0	40	-2.0	-108.56	317.94	9.68	-98.88
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN(C3CC3)N=N2)C1	REAL300003089058	0	36	-2.0	-122.33	304.12	6.02	-116.31
CS(=O)(=O)N1CCC[C@H](C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C1	REAL300003089059	0	44	-2.0	-123.64	355.11	4.37	-119.27
COC1=CC=C(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1OC(F)F	REAL300003089060	0	44	-2.0	-113.04	368.85	9.07	-103.97
CC1=CC=CC(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1Br	REAL300003089061	0	39	-2.0	-108.65	336.52	10.63	-98.02
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NOC3=C2COCC3)C1	REAL300003089062	0	37	-2.0	-113.77	304.98	6.73	-107.04
CS(=O)(=O)C1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])O1	REAL300003089063	0	40	-2.0	-124.24	355.68	4.98	-119.26
CCCC1CCCC1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089064	0	45	-2.0	-110.63	341.92	10.29	-100.34
CC1=CC(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C(C)N1C1=CC=CC=C1	REAL300003089065	0	50	-2.0	-115.21	407.89	13.61	-101.60
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C(Cl)SC=C2)C1	REAL300003089066	0	30	-2.0	-109.46	280.69	8.10	-101.36
CSC1=CC(C)=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])O1	REAL300003089067	0	37	-2.0	-107.29	319.32	8.55	-98.74
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C3C=CSC3=CN=C2)C1	REAL300003089068	0	35	-2.0	-113.97	302.02	7.89	-106.08
CC1=CC(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC(C)=C1	REAL300003089069	0	42	-2.0	-109.56	343.11	10.90	-98.66
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2C3CCCCCCC32)C1	REAL300003089070	0	46	-2.0	-115.52	335.79	9.65	-105.87
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=NN=NN3C=C2)C1	REAL300003089071	0	34	-2.0	-106.56	297.65	5.93	-100.63
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCC(C3CC3)CC2)C1	REAL300003089072	0	46	-2.0	-116.66	340.37	9.79	-106.87
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C3SC=CC3=NC=N2)C1	REAL300003089073	0	34	-2.0	-116.56	303.18	7.64	-108.92
CCCCCCCCC(C)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089074	0	53	-2.0	-107.78	407.74	11.49	-96.29
CN1N=CC(Cl)=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089075	0	33	-2.0	-105.25	298.38	5.87	-99.38
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C3C=CC=C(Br)N3N=C2)C1	REAL300003089076	0	36	-2.0	-116.12	321.95	8.85	-107.27
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C(F)(F)N2C=C(C3=CC=CC=C3)N=N2)C1	REAL300003089077	0	42	-2.0	-109.18	361.14	8.92	-100.26
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C=CC2=CC=CS2)C1	REAL300003089078	0	34	-2.0	-113.07	300.02	8.27	-104.80
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCCC3(CC3)C2)C1	REAL300003089079	0	43	-2.0	-110.97	333.29	9.34	-101.63
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC[C@@H]2CC[C@H](C(F)(F)F)O2)C1	REAL300003089080	0	43	-2.0	-110.72	357.72	8.87	-101.85
COC1=CC=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1C	REAL300003089081	0	40	-2.0	-113.07	321.07	7.47	-105.60
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(OC3=CC=C(F)C=C3)N=C2)C1	REAL300003089082	0	43	-2.0	-106.85	366.18	8.92	-97.93
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(OC3=CC=CC=C3F)N=C2)C1	REAL300003089083	0	43	-2.0	-110.35	366.52	8.84	-101.51
CN1C=C(CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])N=N1	REAL300003089084	0	38	-2.0	-118.40	318.96	5.90	-112.50
CCOCCOCCCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089085	0	46	-2.0	-111.22	373.29	6.68	-104.54
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCCC2CC2=CC=CC=C2)C1	REAL300003089086	0	49	-2.0	-112.16	379.40	11.58	-100.58
CC1=NN(C2CCOCC2)C(C)=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089087	0	50	-2.0	-111.89	399.20	8.72	-103.17
COC1=CC=CC(C(OC)C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003089088	0	44	-2.0	-111.96	355.82	8.03	-103.93
COCCOCCOCCCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089089	0	50	-2.0	-113.10	406.91	6.04	-107.06
COC1=CC2=CC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=C2C=C1OC	REAL300003089090	0	47	-2.0	-114.03	377.53	10.06	-103.97
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2(N3C=NN=N3)CCOCC2)C1	REAL300003089091	0	45	-2.0	-113.81	349.78	7.40	-106.41
CCCN1N=CC=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089092	0	39	-2.0	-106.04	316.57	7.88	-98.16
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(NC3=CC=CN=C3)C=C2)C1	REAL300003089093	0	44	-2.0	-114.51	360.01	9.11	-105.40
CC(C)(C)C1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003089094	0	49	-2.0	-110.47	385.11	12.40	-98.07
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCC3(CC3)CC2)C1	REAL300003089095	0	43	-2.0	-107.06	329.90	10.19	-96.87
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCC3=CC(F)=CC=C32)C1	REAL300003089096	0	40	-2.0	-109.33	328.70	9.53	-99.80
CC1=CC=C([C@@H]2C[C@H]2C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1C	REAL300003089097	0	46	-2.0	-112.55	365.43	11.03	-101.52
CC1=CC=CC=C1COCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089098	0	43	-2.0	-110.87	351.60	9.78	-101.09
CC1=CC=CC(COCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003089099	0	43	-2.0	-110.50	356.83	9.76	-100.74
CC1=CC=C(COCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003089100	0	43	-2.0	-111.23	356.21	10.19	-101.04
CC(C)C1=CC=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003089101	0	42	-2.0	-114.16	337.53	9.56	-104.60
C[C@H](OC1=CC=C(Cl)C=C1Cl)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089102	0	40	-2.0	-107.66	356.46	10.41	-97.25
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC(CN3C=CN=N3)=C2)C1	REAL300003089103	0	42	-2.0	-120.73	353.66	8.02	-112.71
CCN1N=CC(Cl)=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089104	0	36	-2.0	-105.13	320.43	7.79	-97.34
CCCCC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C(C)C	REAL300003089105	0	47	-2.0	-108.15	346.36	9.45	-98.70
CCOCCN1C=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300003089106	0	43	-2.0	-109.12	353.76	7.20	-101.92
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=NN2CCC2=CC=CC=C2)C1	REAL300003089107	0	46	-2.0	-110.68	376.33	10.94	-99.74
CC(=CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CS1	REAL300003089108	0	37	-2.0	-111.58	318.56	9.02	-102.56
COC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C(O)=C1	REAL300003089109	0	38	-2.0	-112.08	311.86	5.74	-106.34
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCCCC2=CC=C(Cl)C=C2)C1	REAL300003089110	0	45	-2.0	-105.45	381.42	12.47	-92.98
COC1CCCC(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C1	REAL300003089111	0	46	-2.0	-106.25	351.87	8.77	-97.48
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2CC(F)(F)C2)C1	REAL300003089112	0	36	-2.0	-105.76	301.45	7.86	-97.90
CC1=C2SC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=CC2=CC=C1	REAL300003089113	0	39	-2.0	-115.32	333.53	10.57	-104.75
CCC(C)C(OC)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089114	0	42	-2.0	-108.31	322.29	7.36	-100.95
COCCOC1CCC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300003089115	0	50	-2.0	-108.59	389.79	8.26	-100.33
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC=CC(C3CC3)=C2)C1	REAL300003089116	0	43	-2.0	-109.79	349.56	11.68	-98.11
CC1=C(C)C=C2C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=COC2=C1	REAL300003089117	0	42	-2.0	-116.92	340.79	10.35	-106.57
CC(C)(C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1)C(F)(F)F	REAL300003089118	0	45	-2.0	-113.42	362.74	11.07	-102.35
CC1CCN2C=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])N=C2C1	REAL300003089119	0	43	-2.0	-128.12	342.09	9.27	-118.85
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)[C@@H]2C[C@H]2C2CCOCC2)C1	REAL300003089120	0	44	-2.0	-111.75	344.17	7.73	-104.02
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)[C@@H]2CC[C@H](CC3=CC=CC=C3)O2)C1	REAL300003089121	0	47	-2.0	-113.75	374.36	10.44	-103.31
CCC(CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C(C)(C)C	REAL300003089122	0	47	-2.0	-108.97	340.77	9.65	-99.32
CCC1=CC=C(F)C=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089123	0	39	-2.0	-115.58	318.96	8.83	-106.75
COCC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=CS1	REAL300003089124	0	37	-2.0	-114.37	315.10	7.27	-107.10
CN1C=CC2=CC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=C21	REAL300003089125	0	40	-2.0	-118.52	331.14	9.37	-109.15
CNC1=NC(C)=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300003089126	0	39	-2.0	-117.34	325.08	7.63	-109.71
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN(CC3=CC=CC=N3)N=N2)C1	REAL300003089127	0	41	-2.0	-128.22	351.23	6.60	-121.62
COC1=CC2=C(C=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])OCO2	REAL300003089128	0	40	-2.0	-116.83	327.05	7.13	-109.70
COC1=CC=CC=C1NC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003089129	0	49	-2.0	-116.36	397.38	9.39	-106.97
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C=CC2=CC=C(Cl)S2)C1	REAL300003089130	0	34	-2.0	-111.25	317.06	8.89	-102.36
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C=CC2=CC=CC=C2OC(F)(F)F)C1	REAL300003089131	0	41	-2.0	-111.90	354.64	9.04	-102.86
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NN(C3CCOCC3)C=C2)C1	REAL300003089132	0	44	-2.0	-121.23	351.31	6.83	-114.40
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C(C2=CC=CC=C2)O1	REAL300003089133	0	43	-2.0	-112.28	355.78	11.27	-101.01
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2CCC(F)(F)CC2)C1	REAL300003089134	0	42	-2.0	-106.04	331.25	9.03	-97.01
CC1=CN(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])N=C1C(F)(F)F	REAL300003089135	0	39	-2.0	-111.29	338.94	8.44	-102.85
CC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003089136	0	43	-2.0	-111.98	348.41	10.49	-101.49
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C(C(F)F)N=CO2)C1	REAL300003089137	0	32	-2.0	-111.87	281.95	3.48	-108.39
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(C(F)F)O2)C1	REAL300003089138	0	33	-2.0	-104.60	292.10	7.92	-96.68
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C=CC2=CC=CC(C3=CC=CC=C3)=C2)C1	REAL300003089139	0	47	-2.0	-113.69	383.97	12.59	-101.10
CC1=C2C=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])NC2=C(F)C=C1	REAL300003089140	0	40	-2.0	-111.71	334.63	9.87	-101.84
CC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C(C)N1C1CCCOC1	REAL300003089141	0	51	-2.0	-119.82	380.92	8.71	-111.11
CC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C(C)N1CC1CCCOC1	REAL300003089142	0	54	-2.0	-123.65	406.11	9.56	-114.09
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])SC(C2CCOC2)=N1	REAL300003089143	0	43	-2.0	-107.14	358.29	7.11	-100.03
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC(Cl)=CC(Cl)=C2)C1	REAL300003089144	0	36	-2.0	-103.42	333.76	10.59	-92.83
CC1=CN2C=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])N=C2C=C1	REAL300003089145	0	39	-2.0	-123.36	324.64	10.57	-112.79
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=NN2CC2CCC2)C1	REAL300003089146	0	43	-2.0	-105.80	337.36	8.77	-97.03
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC(Cl)=CC3=CC=CC=C32)C1	REAL300003089147	0	42	-2.0	-111.65	360.16	11.26	-100.39
COC1=CC=C2C=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])SC2=C1	REAL300003089148	0	40	-2.0	-115.48	343.12	9.32	-106.16
COC1=CC=C2C(CC(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=COC2=C1C	REAL300003089149	0	46	-2.0	-111.86	377.65	9.98	-101.88
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C=CC2=CC=C(F)C3=CC=CC=C23)C1	REAL300003089150	0	43	-2.0	-110.95	358.60	11.38	-99.57
CC1=CC(OC2=CC=CC=C2)=CC=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089151	0	47	-2.0	-110.16	382.69	11.95	-98.21
CC1=CC(C)=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300003089152	0	36	-2.0	-113.88	307.28	8.10	-105.78
CC1CN(C2=CC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=C2)CC(C)O1	REAL300003089153	0	52	-2.0	-113.21	403.04	7.99	-105.22
CC(=CC1CCC(C)CC1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089154	0	49	-2.0	-105.02	363.28	10.96	-94.06
CN1N=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C2=CC=CC=C21	REAL300003089155	0	39	-2.0	-122.64	324.59	9.12	-113.52
CC1OC(C)C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C1C	REAL300003089156	0	43	-2.0	-103.70	325.88	7.66	-96.04
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCC2C2=CC=C(F)C=C2)C1	REAL300003089157	0	43	-2.0	-108.03	348.75	11.35	-96.68
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=COC(C(F)F)=C2)C1	REAL300003089158	0	33	-2.0	-110.77	291.18	6.76	-104.01
CSCCCCCCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089159	0	45	-2.0	-108.40	371.51	10.00	-98.40
CCC1=C(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C2=CC=CC=C2O1	REAL300003089160	0	45	-2.0	-114.30	367.42	10.50	-103.80
CC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C(C)N1C1=CN=CC=N1	REAL300003089161	0	45	-2.0	-120.25	365.34	9.65	-110.60
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)[C@@H]2C[C@H]2C2=CSC=C2)C1	REAL300003089162	0	37	-2.0	-109.56	319.17	8.91	-100.65
CC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1C(F)(F)F	REAL300003089163	0	39	-2.0	-108.89	331.70	9.17	-99.72
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(OCC3=CC=CC=C3)=CS2)C1	REAL300003089164	0	44	-2.0	-109.32	378.33	10.85	-98.47
CCOC1=CC=CC(CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003089165	0	46	-2.0	-108.46	373.11	10.62	-97.84
CC1=CN2C=C(CC(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])N=C2S1	REAL300003089166	0	39	-2.0	-119.06	339.27	9.26	-109.80
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2CC3=CC=CC=C3O2)C1	REAL300003089167	0	41	-2.0	-115.82	335.67	9.71	-106.11
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C=CC2=CSC(C(F)(F)F)=C2)C1	REAL300003089168	0	37	-2.0	-107.99	340.38	9.32	-98.67
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CSC(CCC(F)(F)F)=N2)C1	REAL300003089169	0	41	-2.0	-110.45	366.89	9.35	-101.10
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)[C@@H]2C[C@H]2C2=C(F)C=CC=C2Cl)C1	REAL300003089170	0	40	-2.0	-112.24	342.96	11.18	-101.06
CC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])N1C=CC(C(F)(F)F)=N1	REAL300003089171	0	39	-2.0	-103.92	338.40	8.01	-95.91
CC1=CC(C)=C(C=CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1C	REAL300003089172	0	46	-2.0	-113.75	365.70	10.91	-102.84
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C=CC2=CC=CC=C2C(F)(F)F)C1	REAL300003089173	0	40	-2.0	-113.00	343.32	10.00	-103.00
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C=CC2=CC=C3NC=CC3=C2)C1	REAL300003089174	0	41	-2.0	-115.80	341.11	9.23	-106.57
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN(CC3CCCC3)N=C2)C1	REAL300003089175	0	46	-2.0	-112.08	363.36	9.86	-102.22
COCCN1C=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300003089176	0	40	-2.0	-109.20	331.91	6.23	-102.97
CC1=CC=CC(COC(C)C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003089177	0	46	-2.0	-113.49	371.48	10.63	-102.86
CC1(C)[C@H](C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])[C@H]1C1=CC=CC=C1	REAL300003089178	0	46	-2.0	-110.92	359.96	11.46	-99.46
COC1=CC(C)=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1C	REAL300003089179	0	43	-2.0	-113.90	344.25	9.01	-104.89
COCCN1N=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1C	REAL300003089180	0	43	-2.0	-109.89	357.08	6.99	-102.90
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2(C3=CC=CC=C3)CC2)C1	REAL300003089181	0	43	-2.0	-107.94	343.68	11.21	-96.73
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=COC3=CC(Cl)=CC=C23)C1	REAL300003089182	0	39	-2.0	-107.96	344.90	10.46	-97.50
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O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC2=CC=C(F)C3=C2CCCC3)C1	REAL300003089184	0	49	-2.0	-107.24	383.72	11.71	-95.53
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O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC2=CC=C(F)C3=CC=CC=C23)C1	REAL300003089186	0	45	-2.0	-108.19	370.21	11.58	-96.61
CCC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=C(Br)C=C1	REAL300003089187	0	42	-2.0	-105.83	356.35	10.23	-95.60
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CCN1C=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C(C)=N1	REAL300003089192	0	39	-2.0	-112.30	325.31	8.04	-104.26
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O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CN2C=CC=CC2=O)C1	REAL300003089197	0	36	-2.0	-120.03	304.27	8.13	-111.90
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C3C=NNC3=CC=C2)C1	REAL300003089198	0	36	-2.0	-112.64	303.64	6.16	-106.48
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC3=NNC=C32)C1	REAL300003089198	1	36	-2.0	-110.88	307.91	7.58	-103.30
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CN2CCCCC2=O)C1	REAL300003089199	0	40	-2.0	-114.58	321.08	6.87	-107.71
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCN2C=C(Cl)C=N2)C1	REAL300003089200	0	36	-2.0	-108.72	320.24	7.11	-101.61
CN1N=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1C1CC1	REAL300003089201	0	40	-2.0	-119.68	328.86	8.96	-110.72
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC3=CC=CN=C32)C1	REAL300003089202	0	38	-2.0	-128.09	321.74	9.34	-118.75
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC2=CC=NC=C2)C1	REAL300003089203	0	38	-2.0	-105.35	316.57	8.62	-96.73
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC3=CN=CC=C32)C1	REAL300003089204	0	38	-2.0	-114.56	313.93	7.92	-106.64
CN(C)C1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC=N1	REAL300003089205	0	40	-2.0	-112.14	326.67	7.53	-104.61
CN1C=NC2=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=CC=C21	REAL300003089206	0	39	-2.0	-127.49	325.19	8.95	-118.54
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC2=CC=NC=N2)C1	REAL300003089207	0	37	-2.0	-111.41	311.35	7.45	-103.96
CN1N=CC=C1COCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089208	0	40	-2.0	-112.02	335.59	7.18	-104.84
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC2=CC=CC=N2)C1	REAL300003089209	0	38	-2.0	-113.08	316.37	7.66	-105.42
CC1=CC(=O)N(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003089210	0	39	-2.0	-121.01	325.97	8.82	-112.19
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC3=NNC=C3C=C2)C1	REAL300003089211	0	39	-2.0	-119.38	326.60	8.29	-111.09
CC(C)CN1C=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300003089212	0	42	-2.0	-116.47	343.03	7.86	-108.61
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=NC3=CC=NC=C32)C1	REAL300003089214	0	37	-2.0	-111.18	309.52	7.00	-104.18
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C(C3CC3)N=CO2)C1	REAL300003089215	0	36	-2.0	-108.99	301.18	5.67	-103.32
COC1=NSC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003089216	0	33	-2.0	-103.21	293.41	4.46	-98.75
CC1=CC2=C(SC=C2CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300003089217	0	39	-2.0	-109.04	349.83	10.84	-98.20
CCOC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1CCOC1	REAL300003089218	0	44	-2.0	-112.95	336.25	5.96	-106.99
CC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C(C)C(C)(C)C	REAL300003089219	0	47	-2.0	-100.75	326.30	8.49	-92.26
COC1=CC=CC=C1C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300003089220	0	44	-2.0	-117.11	376.21	10.81	-106.30
CC(C)(C)CC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003089221	0	48	-2.0	-112.70	370.38	11.58	-101.12
CCOC1COCCC1CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089222	0	47	-2.0	-110.57	362.72	6.76	-103.81
CCC1CCCCC1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089223	0	45	-2.0	-110.63	338.00	10.06	-100.57
CCOC1CC2(CC2C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C1	REAL300003089224	0	44	-2.0	-111.96	352.78	9.19	-102.77
CCC1=CC2=C(SC=C2CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300003089225	0	42	-2.0	-109.17	371.32	11.61	-97.56
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN(C(F)F)N=C2)C1	REAL300003089226	0	33	-2.0	-107.42	290.14	6.51	-100.91
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(C(F)(F)F)=NC=N2)C1	REAL300003089227	0	34	-2.0	-108.11	306.92	7.64	-100.47
CCCC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300003089228	0	39	-2.0	-110.87	330.87	9.91	-100.96
CCOCCCCCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089229	0	45	-2.0	-108.34	360.80	8.01	-100.33
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCCOC2CCOCC2)C1	REAL300003089230	0	47	-2.0	-108.94	370.90	6.73	-102.21
CCN1C=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C(C2CC2)=N1	REAL300003089231	0	43	-2.0	-112.72	349.83	9.41	-103.31
CSC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CO1	REAL300003089232	0	34	-2.0	-113.86	301.05	6.91	-106.95
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN=C3C=CC=CN23)C1	REAL300003089233	0	36	-2.0	-120.58	298.92	7.74	-112.84
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN=C3CCCCN23)C1	REAL300003089234	0	40	-2.0	-114.00	316.00	8.62	-105.38
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCN(CC(F)(F)F)C2)C1	REAL300003089235	0	41	-2.0	-106.06	331.06	5.48	-100.58
CCCC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC=N1	REAL300003089236	0	44	-2.0	-113.73	344.34	8.57	-105.16
CN1N=NC2=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=CN=C21	REAL300003089237	0	37	-2.0	-116.64	317.92	6.55	-110.09
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCC3=CC=CN=C32)C1	REAL300003089238	0	39	-2.0	-120.62	311.95	8.26	-112.36
CC1=NC=C2CCC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])CN12	REAL300003089239	0	43	-2.0	-103.59	340.87	9.41	-94.18
CC(CC1=CN=CC2=CC=CC=C21)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089240	0	47	-2.0	-111.13	374.57	10.01	-101.12
CC(CC1=CNC=N1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089241	0	39	-2.0	-118.59	317.74	7.25	-111.34
CC(CC1=CN=CN1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089241	1	39	-2.0	-113.42	316.05	7.27	-106.15
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN=C3CCCN23)C1	REAL300003089242	0	37	-2.0	-112.13	298.92	7.37	-104.76
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC2=CC=CC3=CC=CC=C32)C1	REAL300003089243	0	45	-2.0	-110.74	364.68	11.56	-99.18
CC(CCC1=CC=C(F)C=C1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089244	0	45	-2.0	-108.59	365.77	10.65	-97.94
CC(C)(CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=C(F)C=C1	REAL300003089245	0	45	-2.0	-106.90	352.10	10.25	-96.65
COCC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1F	REAL300003089246	0	40	-2.0	-108.29	331.90	8.51	-99.78
CCS(=O)(=O)C1=CC=C(OC)C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003089247	0	46	-2.0	-130.30	386.71	5.48	-124.82
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CCOC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1CCOCC1	REAL300003089249	0	47	-2.0	-108.50	361.61	7.27	-101.23
CCOC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1CCCC1	REAL300003089250	0	46	-2.0	-111.45	341.56	8.48	-102.97
CC1(C)CC2=CC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=C2O1	REAL300003089251	0	44	-2.0	-110.72	358.62	9.83	-100.89
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CC1=CC2=C(S1)C(CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])=CS2	REAL300003089256	0	39	-2.0	-109.76	348.88	10.78	-98.98
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C(Cl)C3=C(F)C=CC=C3S2)C1	REAL300003089257	0	36	-2.0	-114.38	332.67	10.49	-103.89
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C(=O)C2=CC=C(F)C=C2)C1	REAL300003089258	0	35	-2.0	-109.64	309.39	7.73	-101.91
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN=C(C3CC3)O2)C1	REAL300003089259	0	36	-2.0	-109.02	309.62	6.09	-102.93
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O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NNC(C3=CC=CC=C3O)=C2)C1	REAL300003089260	1	41	-2.0	-117.98	345.81	6.58	-111.40
CC1=CC(C)=C(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300003089261	0	39	-2.0	-108.25	331.61	10.08	-98.17
CC(C)(C)C1=CC=C(C(F)(F)C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003089262	0	48	-2.0	-111.19	384.28	10.91	-100.28
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C=CC2=CC=CC=C2F)C1	REAL300003089263	0	37	-2.0	-112.95	315.30	9.22	-103.73
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C[C@H]1CC[C@H](C2=NC(CC(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=CS2)CC1	REAL300003089266	0	51	-2.0	-112.23	410.35	11.13	-101.10
COC1=CC=C(C2=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=NO2)C=C1	REAL300003089267	0	43	-2.0	-118.53	362.14	8.56	-109.97
CCC1=CC=C(C2=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=NO2)C=C1	REAL300003089268	0	45	-2.0	-117.98	375.59	10.71	-107.27
CC1=CC=C(Cl)C=C1OCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089269	0	40	-2.0	-109.46	346.68	9.83	-99.63
CC(C)(C)C12CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])(C1)C2	REAL300003089270	0	46	-2.0	-111.23	355.26	9.62	-101.61
CC1=CC(C(F)(F)F)=NC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300003089271	0	37	-2.0	-113.71	328.97	7.02	-106.69
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C(C(F)F)C=CS2)C1	REAL300003089272	0	33	-2.0	-117.92	301.92	8.70	-109.22
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)[C@@H]2C[C@H]2C2=CC=CC(C(F)(F)F)=C2)C1	REAL300003089273	0	43	-2.0	-111.54	365.74	10.81	-100.73
CC1(C)CCC(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])OC1	REAL300003089274	0	46	-2.0	-111.02	350.89	9.24	-101.78
CC(C)(CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])CC(F)F	REAL300003089275	0	41	-2.0	-106.45	318.04	8.24	-98.21
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CN2CCCCS2(=O)=O)C1	REAL300003089276	0	41	-2.0	-122.91	337.84	5.24	-117.67
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(OC(F)F)C(Cl)=C2)C1	REAL300003089277	0	37	-2.0	-111.78	332.71	7.86	-103.92
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCOC3=C(F)C=CC=C32)C1	REAL300003089278	0	41	-2.0	-109.90	334.41	8.32	-101.58
CS(=O)(=O)C1CCC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300003089279	0	45	-2.0	-114.60	361.06	6.35	-108.25
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(C3=CC=CC(F)=C3)S2)C1	REAL300003089280	0	40	-2.0	-117.08	350.66	11.34	-105.74
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CN2N=C(C(F)F)C=C2C2CC2)C1	REAL300003089281	0	43	-2.0	-108.72	367.18	9.72	-99.00
CCC(CC1=CC=CC(C)=C1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089282	0	48	-2.0	-111.94	374.63	11.08	-100.86
CC(C)(C)OC1=CC=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003089283	0	46	-2.0	-114.40	357.07	8.81	-105.59
CC1=CC=C2OCC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=CC2=C1	REAL300003089284	0	42	-2.0	-113.93	347.66	8.93	-105.00
COC1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1OC	REAL300003089285	0	45	-2.0	-112.06	368.28	8.36	-103.70
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C=CC2=CC=C(SC(F)F)C=C2)C1	REAL300003089286	0	41	-2.0	-112.04	358.57	11.37	-100.67
COC1=CC=C(OC)C(C=CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003089287	0	45	-2.0	-119.05	367.60	7.84	-111.21
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C=CC2=CSC=C2)C1	REAL300003089288	0	34	-2.0	-111.73	299.85	8.14	-103.59
CC1(C)CCC2=C(C1)C(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])=NO2	REAL300003089289	0	45	-2.0	-118.14	349.44	10.05	-108.09
CCC1=NN(C)C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003089290	0	39	-2.0	-105.82	316.05	7.65	-98.17
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])SC(C2=CC=C(C)C=C2)=N1	REAL300003089291	0	45	-2.0	-111.34	381.62	10.77	-100.57
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CSC(C3CCCC3)=N2)C1	REAL300003089292	0	45	-2.0	-110.92	371.26	8.86	-102.06
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CSC(C3CC3)=N2)C1	REAL300003089293	0	39	-2.0	-110.73	336.83	8.76	-101.97
CC1CCC(OCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300003089294	0	46	-2.0	-110.28	356.02	9.35	-100.93
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC2CCC3=CC=CC=C32)C1	REAL300003089295	0	46	-2.0	-107.94	362.12	12.02	-95.92
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(C(F)(F)F)=CC=N2)C1	REAL300003089296	0	35	-2.0	-114.52	310.32	7.70	-106.82
CC1(C)COC(CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C1	REAL300003089297	0	46	-2.0	-109.12	359.08	7.87	-101.25
CC(C)(CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])CC(F)(F)F	REAL300003089298	0	41	-2.0	-106.11	321.82	8.30	-97.81
COC1=CC=C(CCCCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1OC	REAL300003089299	0	53	-2.0	-111.48	423.94	10.20	-101.28
COC1=CC=C2CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])CCC2=C1	REAL300003089300	0	47	-2.0	-110.33	368.96	9.50	-100.83
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(CN3C=CN=C3)C=C2)C1	REAL300003089301	0	43	-2.0	-116.78	357.17	11.83	-104.95
CC1=NC(CN2CCC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])CC2)=CS1	REAL300003089302	0	50	-2.0	-111.31	400.77	8.09	-103.22
CC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])N1CCN(C)CC1	REAL300003089303	0	46	-2.0	-106.37	338.48	4.08	-102.29
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CN2CCOCC2)C1	REAL300003089304	0	39	-2.0	-108.47	306.46	3.46	-105.01
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2CCC3(CCC3)CO2)C1	REAL300003089305	0	47	-2.0	-111.44	359.94	9.88	-101.56
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2CCC3(CCOCC3)CO2)C1	REAL300003089306	0	51	-2.0	-111.66	377.12	8.50	-103.16
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)[C@@H]2CCO[C@H]2C2CC2)C1	REAL300003089307	0	41	-2.0	-106.74	318.38	7.08	-99.66
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CC3CCC(C2)S3)C1	REAL300003089308	0	41	-2.0	-105.03	311.85	9.39	-95.64
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CSC=C2C(F)F)C1	REAL300003089309	0	33	-2.0	-117.27	297.19	7.40	-109.87
COC1=CC=C(CCCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1OC	REAL300003089310	0	50	-2.0	-111.79	402.44	9.41	-102.38
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)[C@@H]2[C@@H](C3=CC=CC=C3)C2(F)F)C1	REAL300003089311	0	40	-2.0	-106.97	336.25	10.72	-96.25
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCCC2=CC=C(Br)C=C2)C1	REAL300003089312	0	42	-2.0	-106.25	364.49	11.79	-94.46
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NN(C3=CC(F)=CC(F)=C3)C=C2)C1	REAL300003089313	0	40	-2.0	-124.99	347.76	9.51	-115.48
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCCCC2=CC=CC=C2)C1	REAL300003089314	0	45	-2.0	-108.41	365.18	11.00	-97.41
CC1(C)COC(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C1	REAL300003089315	0	43	-2.0	-112.83	336.72	8.42	-104.41
CC1=C2OC=C(CC(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C2=CC=C1Cl	REAL300003089316	0	42	-2.0	-108.94	363.59	11.03	-97.91
CC1=CN2N=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=C2N=C1	REAL300003089317	0	38	-2.0	-125.92	318.45	8.17	-117.75
NC1=C([N+](=O)[O-])C2=CC=CC=C2C=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089318	0	43	-2.0	-106.58	362.57	9.65	-96.93
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2CCC3(CCC3)O2)C1	REAL300003089319	0	44	-2.0	-115.80	344.01	9.31	-106.49
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCOC3(CCC3)C2)C1	REAL300003089320	0	44	-2.0	-107.36	337.09	7.41	-99.95
COC1=CC2=CC=C(C=CC(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=C2C=C1	REAL300003089321	0	47	-2.0	-115.43	385.35	10.75	-104.68
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCC=CCCC2)C1	REAL300003089322	0	43	-2.0	-109.39	320.58	8.91	-100.48
CCN1N=C(C2CC2)C=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089323	0	43	-2.0	-107.21	349.07	9.35	-97.86
CN1N=C2CCCC2=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089324	0	40	-2.0	-113.26	326.29	7.22	-106.04
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=CC=CC=C3N=C2)C1	REAL300003089325	0	38	-2.0	-111.05	317.47	8.04	-103.01
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CC3(C2)CC(F)(F)C3)C1	REAL300003089326	0	40	-2.0	-106.82	328.77	9.88	-96.94
CCSC1=CC=CC=C1CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089327	0	43	-2.0	-116.29	359.73	10.39	-105.90
C=CCOC1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1OC	REAL300003089328	0	49	-2.0	-111.99	403.04	9.86	-102.13
CCCCC1=C(C=CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C2=CC=CC=C2O1	REAL300003089329	0	52	-2.0	-115.14	426.18	12.77	-102.37
CC1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C(Br)=C1	REAL300003089330	0	40	-2.0	-111.82	349.46	10.34	-101.48
CC1=CC=CC(C2=CC=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=C2)=C1	REAL300003089331	0	46	-2.0	-115.88	369.77	12.69	-103.19
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2CCC3=C(C=CS3)C2=O)C1	REAL300003089332	0	42	-2.0	-125.60	349.64	10.36	-115.24
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=NN2C2CC2)C1	REAL300003089333	0	37	-2.0	-108.44	302.06	6.86	-101.58
COC1=CC=CC2=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=NN21	REAL300003089334	0	40	-2.0	-122.87	330.06	7.14	-115.73
CC1CCC2=C(C1)C(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])=NN2	REAL300003089335	0	43	-2.0	-121.62	336.80	7.50	-114.12
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(CN3C=C(Cl)C=N3)S2)C1	REAL300003089336	0	40	-2.0	-111.85	367.32	9.85	-102.00
CN1N=C2CCCCC2=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089337	0	43	-2.0	-112.90	344.13	7.75	-105.15
CN1N=C(C2=CC=CC=C2)C=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089338	0	43	-2.0	-112.11	351.10	8.80	-103.31
CN1N=C(C(F)(F)F)C=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089339	0	36	-2.0	-101.43	321.57	7.56	-93.87
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCCC2=CC=C(C3CC3)C=C2)C1	REAL300003089340	0	49	-2.0	-108.37	392.46	13.28	-95.09
CCN1C=C(Cl)C=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089341	0	37	-2.0	-114.39	314.95	8.29	-106.10
COC1=CC(OC)=NC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300003089342	0	39	-2.0	-108.90	332.29	3.59	-105.31
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NOC(CC3=CC=CC=C3)=C2)C1	REAL300003089343	0	42	-2.0	-118.68	356.11	10.14	-108.54
COC1=CC2=NC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=C2C=C1	REAL300003089344	0	42	-2.0	-113.32	344.81	8.22	-105.10
CC(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1C	REAL300003089345	0	41	-2.0	-109.75	330.43	9.79	-99.96
CCN1N=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1C1CC1	REAL300003089346	0	43	-2.0	-122.70	351.04	8.85	-113.85
CCC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC=C1Br	REAL300003089347	0	39	-2.0	-106.69	334.30	10.47	-96.22
COC1=NC=C(C=CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300003089348	0	39	-2.0	-110.55	331.69	3.91	-106.64
CC1=NNC2=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=CC=C12	REAL300003089349	0	39	-2.0	-118.26	329.77	8.15	-110.11
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCOC3(CCCC3)C2)C1	REAL300003089350	0	47	-2.0	-108.19	349.39	7.89	-100.30
COC1=C2C=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])NC2=CC=C1	REAL300003089351	0	41	-2.0	-114.23	337.01	8.46	-105.77
CC1=CC(C)=C(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C(=O)N1	REAL300003089352	0	42	-2.0	-122.38	344.07	6.70	-115.68
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C3NC=CC3=N2)C1	REAL300003089353	0	36	-2.0	-130.06	302.58	6.64	-123.42
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C3N=CC=C3N2)C1	REAL300003089353	1	36	-2.0	-102.42	298.24	6.79	-95.63
CN1C=NC(C=CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003089354	0	37	-2.0	-123.91	314.34	8.63	-115.28
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(N3CCCCCC3)C=C2)C1	REAL300003089355	0	51	-2.0	-112.26	377.32	10.21	-102.05
CC(SC1=CC=C(F)C=C1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089356	0	40	-2.0	-105.66	345.06	10.49	-95.17
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C(C(F)F)SC=C2)C1	REAL300003089357	0	33	-2.0	-110.98	294.64	8.29	-102.69
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C[C@@H]2C[C@H]2CC2=CC=CC=C2)C1	REAL300003089358	0	46	-2.0	-108.65	374.68	11.67	-96.98
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(CN3C=CN=N3)O2)C1	REAL300003089359	0	39	-2.0	-116.82	336.50	6.60	-110.22
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN(C3=CC=CC=N3)N=C2)C1	REAL300003089360	0	39	-2.0	-117.18	333.26	8.21	-108.97
CC1=CC=C(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1Cl	REAL300003089361	0	39	-2.0	-107.57	335.81	10.69	-96.88
CC1=CC(C)=NN1CCCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089362	0	45	-2.0	-113.30	366.37	8.47	-104.83
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NC=CC3=CC=CN=C32)C1	REAL300003089363	0	37	-2.0	-129.25	311.63	7.96	-121.29
CC1(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CCS(=O)(=O)N1	REAL300003089364	0	41	-2.0	-116.53	331.40	2.83	-113.70
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=NC3=CC(Cl)=CC=C32)C1	REAL300003089365	0	38	-2.0	-107.89	331.90	9.45	-98.44
COC1=CC=CC(CC(C)CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003089366	0	49	-2.0	-111.59	385.40	9.91	-101.68
CC(C)C1CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CCO1	REAL300003089367	0	46	-2.0	-107.60	347.49	8.46	-99.14
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC3=C2CCOC3)C1	REAL300003089368	0	41	-2.0	-114.77	321.66	8.52	-106.25
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2CCCC(C(F)(F)F)O2)C1	REAL300003089369	0	43	-2.0	-113.08	353.31	9.28	-103.80
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2CCC(C3CC3)O2)C1	REAL300003089370	0	44	-2.0	-115.81	346.90	9.78	-106.03
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)[C@H]2CC[C@H](NC3=CN=CC=N3)CC2)C1	REAL300003089371	0	49	-2.0	-110.16	382.32	6.95	-103.21
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)[C@H]2CC[C@H](NC3=NC=CC=N3)CC2)C1	REAL300003089372	0	49	-2.0	-110.84	384.56	10.60	-100.24
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CC[C@@H]3C[C@@H]3CC2)C1	REAL300003089373	0	43	-2.0	-108.29	316.79	8.92	-99.37
COC1=CC=C(CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300003089375	0	42	-2.0	-108.97	347.67	5.97	-103.00
NC1=NC(C2CCCC2)=NC=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089376	0	46	-2.0	-103.23	367.64	7.95	-95.28
CN1C=NC(C2=CC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=C2)=N1	REAL300003089377	0	42	-2.0	-117.61	351.97	10.66	-106.95
CC1=CC(C)=NC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003089378	0	38	-2.0	-121.75	314.33	7.91	-113.84
CC1=CC=NC=C1C=CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089379	0	39	-2.0	-114.94	322.54	7.94	-107.00
CC1=CC(=O)C=C(C)N1CCCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089380	0	48	-2.0	-115.39	380.38	9.63	-105.76
CN1C=CC(NC2=CC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=C2)=N1	REAL300003089381	0	45	-2.0	-114.13	367.20	9.62	-104.51
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])N=NN1C1=CN(C)N=C1	REAL300003089382	0	42	-2.0	-123.35	348.60	6.08	-117.27
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])N=NN1C1=NN(C)C=C1	REAL300003089383	0	42	-2.0	-126.28	350.91	7.38	-118.90
CCOC1=NC2=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=CC=C2N1	REAL300003089384	0	43	-2.0	-121.57	357.16	5.01	-116.56
CCC(CC)OC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003089385	0	49	-2.0	-111.84	378.94	10.83	-101.01
CC1=CC(F)=C(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1F	REAL300003089386	0	39	-2.0	-107.66	332.48	10.32	-97.34
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC=CC=C2OC2CCCC2)C1	REAL300003089387	0	50	-2.0	-117.60	394.67	10.89	-106.71
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC=CC=C2OC2CCOC2)C1	REAL300003089388	0	48	-2.0	-117.43	384.03	9.07	-108.36
COCC(C)(C)CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089389	0	42	-2.0	-106.71	325.08	6.73	-99.98
CC1=CN2C=CN=C2C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003089390	0	39	-2.0	-131.59	312.98	9.22	-122.37
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCS(=O)(=O)C3=CC=CC=C32)C1	REAL300003089391	0	43	-2.0	-114.38	353.63	5.97	-108.41
CC(C)(C)CCC1(O)CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C1	REAL300003089392	0	52	-2.0	-108.99	393.28	7.56	-101.43
CSC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089393	0	39	-2.0	-122.39	340.53	9.08	-113.31
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(OC3=CC=C(F)C=C3)C=C2)C1	REAL300003089394	0	44	-2.0	-108.16	369.20	11.52	-96.64
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC(F)=CC3=C2OCOC3)C1	REAL300003089395	0	42	-2.0	-113.24	349.83	8.74	-104.50
CS(=O)(=O)NCCC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003089396	0	47	-2.0	-118.27	395.33	6.16	-112.11
CN1C=C(S(N)(=O)=O)C=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089397	0	39	-2.0	-123.45	332.36	1.75	-121.70
NS(=O)(=O)C1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003089398	0	42	-2.0	-113.50	363.18	5.05	-108.45
CC1=NC(COC2=CC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=C2)=NO1	REAL300003089399	0	45	-2.0	-114.61	376.66	7.36	-107.25
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NOC(C3=CC=CS3)=C2)C1	REAL300003089400	0	36	-2.0	-117.10	323.92	8.37	-108.73
COCCCOC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300003089401	0	46	-2.0	-107.49	377.16	6.03	-101.46
NS(=O)(=O)C1=CN(CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])N=C1	REAL300003089402	0	41	-2.0	-115.28	359.61	1.47	-113.81
NS(=O)(=O)CC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003089403	0	41	-2.0	-122.95	355.09	3.34	-119.61
NS(=O)(=O)C1=CN(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])N=C1	REAL300003089404	0	38	-2.0	-117.00	336.99	1.81	-115.19
NS(=O)(=O)C1=CC=C(OCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003089405	0	42	-2.0	-112.60	364.09	3.55	-109.05
CC(C)CC1=NC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CS1	REAL300003089406	0	41	-2.0	-117.83	340.90	9.09	-108.74
NS(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300003089407	0	35	-2.0	-111.11	322.20	2.57	-108.54
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=NC(N3C=NC=N3)=C2)C1	REAL300003089408	0	38	-2.0	-109.81	327.89	9.58	-100.23
CC1=NC(S(=O)(=O)NCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CN1C	REAL300003089409	0	44	-2.0	-119.62	378.42	3.18	-116.44
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C3N=CN=C3N2)C1	REAL300003089410	0	35	-2.0	-101.40	292.75	7.54	-93.86
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C3N=CNC3=N2)C1	REAL300003089410	1	35	-2.0	-118.18	295.59	7.32	-110.86
CC1=C(C)NC(=O)C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300003089411	0	38	-2.0	-131.36	313.79	6.09	-125.27
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCN(C3=CC=CC=C3)C2)C1	REAL300003089412	0	45	-2.0	-108.10	348.65	7.89	-100.21
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=CC(=O)N1	REAL300003089413	0	36	-2.0	-106.71	304.44	6.10	-100.61
CC1=CC=C(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C(Cl)=C1	REAL300003089414	0	39	-2.0	-112.54	336.44	9.73	-102.81
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC3=CC=NC=C3C=C2)C1	REAL300003089415	0	41	-2.0	-108.49	341.35	10.06	-98.43
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC3=CNN=C3C=C2)C1	REAL300003089416	0	39	-2.0	-115.21	327.05	7.34	-107.87
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC=CC(C(F)F)=C2)C1	REAL300003089417	0	39	-2.0	-110.45	332.53	10.44	-100.01
CC1=CC=CC(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1Cl	REAL300003089418	0	39	-2.0	-109.04	333.07	10.57	-98.47
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=NC=CN3C=C2)C1	REAL300003089419	0	36	-2.0	-116.78	307.84	8.43	-108.35
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC3=NC=CN32)C1	REAL300003089420	0	36	-2.0	-108.17	306.09	8.91	-99.26
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN3N=NN=C3C=C2)C1	REAL300003089421	0	34	-2.0	-96.66	299.05	6.82	-89.84
CC1=CN2C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=CN=C2C=C1	REAL300003089422	0	39	-2.0	-120.64	319.76	8.39	-112.25
CC1=NC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C2C=CC=CN12	REAL300003089423	0	39	-2.0	-135.33	323.75	9.63	-125.70
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NC=C3C=CC=CN32)C1	REAL300003089424	0	36	-2.0	-128.48	300.68	8.95	-119.53
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C3CCCCC3=NO2)C1	REAL300003089425	0	39	-2.0	-110.58	313.32	8.47	-102.11
CC1=CC=C2OC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])CCC2=C1	REAL300003089426	0	44	-2.0	-113.84	349.90	10.58	-103.26
COC1=CC2=NC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])N2C=C1	REAL300003089427	0	40	-2.0	-111.92	336.81	8.51	-103.41
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC2=CN=CN=C2)C1	REAL300003089428	0	37	-2.0	-107.76	311.82	7.45	-100.31
COC1=COC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC1=O	REAL300003089429	0	36	-2.0	-107.33	309.78	6.78	-100.55
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN3C=NC=C3C=C2)C1	REAL300003089430	1	36	-2.0	-109.08	305.37	8.99	-100.09
CCC1=CN=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003089431	0	38	-2.0	-110.57	310.94	8.12	-102.45
CC1=CSC(CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300003089432	0	38	-2.0	-108.48	328.77	7.13	-101.35
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=CC=NC=C3N=C2)C1	REAL300003089433	0	37	-2.0	-105.84	312.36	6.28	-99.56
CC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])N=C1C	REAL300003089434	0	38	-2.0	-117.70	309.24	8.55	-109.15
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=CC=CC(F)=C3N=C2)C1	REAL300003089435	0	38	-2.0	-119.54	323.62	8.03	-111.51
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(C3CCCC3)C=C2)C1	REAL300003089436	0	46	-2.0	-112.19	358.03	11.76	-100.43
CCOC1=NOC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003089437	0	36	-2.0	-108.75	307.64	4.22	-104.53
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCC(=O)C3=CC=CN32)C1	REAL300003089438	0	40	-2.0	-104.67	323.21	8.55	-96.12
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC3=C2NC(=O)C=C3)C1	REAL300003089439	0	39	-2.0	-119.59	324.19	6.69	-112.90
CC1=CC(S(N)(=O)=O)=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1C	REAL300003089440	0	44	-2.0	-117.79	365.04	4.45	-113.34
COCCOC1=CN=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003089441	0	43	-2.0	-113.39	353.05	6.17	-107.22
CNS(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300003089442	0	40	-2.0	-112.33	345.60	2.75	-109.58
NS(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300003089443	0	37	-2.0	-112.22	323.23	1.53	-110.69
CN(C)S(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300003089444	0	43	-2.0	-112.15	364.59	4.57	-107.58
CN1C=NC(S(=O)(=O)NCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003089445	0	41	-2.0	-116.56	358.40	4.30	-112.26
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC(O)C2=CC(Cl)=CC(Cl)=C2)C1	REAL300003089446	0	40	-2.0	-107.68	362.35	8.17	-99.51
CCC(C)(C)C1CCC2(CC2C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300003089447	0	58	-2.0	-112.46	407.17	12.42	-100.04
COC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1C1CC1	REAL300003089448	0	44	-2.0	-113.40	354.84	9.10	-104.30
CC1=CC=C(OCCCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C(Cl)=C1	REAL300003089449	0	46	-2.0	-110.24	389.10	11.20	-99.04
CSCC1=NOC(CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300003089450	0	41	-2.0	-110.13	358.48	6.08	-104.05
COC1=CC(OC2CC2)=CC=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089451	0	45	-2.0	-117.11	369.67	9.12	-107.99
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(OC3=CC=CC=C3)C=N2)C1	REAL300003089452	0	43	-2.0	-117.55	359.64	9.50	-108.05
CC(C)(C)OC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])N=C1	REAL300003089453	0	45	-2.0	-117.15	350.46	7.65	-109.50
CC1=NC=CC(CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300003089454	0	40	-2.0	-111.83	331.64	7.26	-104.57
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCN3C(=CN=C3C3=CC=CC=C3)C2)C1	REAL300003089455	0	50	-2.0	-111.95	394.35	11.15	-100.80
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCCCC2=NNN=C2)C1	REAL300003089456	0	41	-2.0	-108.27	338.53	7.02	-101.25
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCCCC2=CNN=N2)C1	REAL300003089456	1	41	-2.0	-113.49	338.58	7.09	-106.40
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC(Cl)=CC3=C2OCC3)C1	REAL300003089457	0	41	-2.0	-112.43	352.90	9.94	-102.49
CCC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C(C)N=N1	REAL300003089459	0	40	-2.0	-104.52	325.29	6.62	-97.90
CC1(CN2C=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])N=N2)COC1	REAL300003089460	0	43	-2.0	-124.44	349.36	5.22	-119.22
CC(C)N1C=NC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003089461	0	39	-2.0	-120.28	319.76	10.00	-110.28
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN=CC(N3C=CN=N3)=C2)C1	REAL300003089463	0	38	-2.0	-125.37	324.95	5.84	-119.53
CC(C)(C)C(Br)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089464	0	38	-2.0	-105.28	305.84	7.59	-97.69
CC1CN(C2=CC=NC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=C2)CC(C)O1	REAL300003089465	0	51	-2.0	-114.60	397.30	7.73	-106.87
CC1=CC(C)=NN1CCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089466	0	42	-2.0	-108.76	344.86	7.65	-101.11
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CNS(=O)(=O)C2=CC=CN=C2)C1	REAL300003089467	0	40	-2.0	-109.21	349.88	2.51	-106.70
CC1=CC=C(C(O)(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C(F)(F)F)O1	REAL300003089468	0	43	-2.0	-105.28	365.60	7.08	-98.20
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=C(N2)SC=C3)C1	REAL300003089469	0	34	-2.0	-109.41	297.87	8.26	-101.15
CC1=NC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=NN1C1=NN=CN1	REAL300003089470	0	38	-2.0	-117.71	325.96	10.15	-107.56
CC1=NC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=NN1C1=NNC=N1	REAL300003089470	1	38	-2.0	-127.78	325.34	9.76	-118.02
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(N3C=CN=C3)N=C2)C1	REAL300003089471	0	39	-2.0	-108.36	326.10	10.18	-98.18
CC1=NOC2=NC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=C12	REAL300003089472	0	37	-2.0	-104.49	315.86	5.16	-99.33
CCCN(CC)C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003089473	0	50	-2.0	-114.60	390.30	11.60	-103.00
CCN(C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1)C(C)C	REAL300003089474	0	50	-2.0	-114.56	379.32	11.14	-103.42
CCOC1=CC(C=CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC=C1O	REAL300003089475	0	45	-2.0	-111.63	371.71	7.22	-104.41
CCCN(C)C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003089476	0	47	-2.0	-114.62	368.49	10.66	-103.96
CCCS(=O)(=O)NC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003089477	0	47	-2.0	-115.75	390.42	7.00	-108.75
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC(CN3C=NC=N3)=C2)C1	REAL300003089478	0	42	-2.0	-118.23	354.57	10.68	-107.55
CN1N=NC2=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=CN=C21	REAL300003089479	0	37	-2.0	-106.05	314.67	5.20	-100.85
C#CC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003089480	0	35	-2.0	-111.05	301.11	9.74	-101.31
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC(C3=NNC=N3)=C2)C1	REAL300003089481	0	39	-2.0	-117.51	331.32	8.53	-108.98
CC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C(C)C=C1Cl	REAL300003089482	0	39	-2.0	-107.70	330.21	10.17	-97.53
CN1C=NC2=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=CN=C21	REAL300003089483	0	38	-2.0	-117.51	318.87	8.07	-109.44
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CSC(NC3CC3)=N2)C1	REAL300003089484	0	38	-2.0	-114.68	328.70	7.98	-106.70
CC1=NC2=CC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=C2N1C	REAL300003089485	0	42	-2.0	-111.47	349.86	9.74	-101.73
CC1=NN(C(C)CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003089486	0	42	-2.0	-110.99	339.21	7.65	-103.34
CCNC1=NC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CS1	REAL300003089487	0	37	-2.0	-114.16	319.02	7.12	-107.04
CC1=CC=C2SN=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C2=C1	REAL300003089488	0	38	-2.0	-122.63	326.25	8.86	-113.77
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C(S(N)(=O)=O)O1	REAL300003089489	0	38	-2.0	-118.07	333.49	1.39	-116.68
CC(C)(CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300003089490	0	48	-2.0	-106.20	383.04	12.15	-94.05
CC(CC1=CC=CC=C1)N1C=CC=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089491	0	50	-2.0	-120.12	405.65	13.29	-106.83
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)COCC2=CC=CC(Cl)=C2)C1	REAL300003089492	0	40	-2.0	-109.76	352.16	9.60	-100.16
CC1=C(Br)C=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C(=O)N1	REAL300003089493	0	36	-2.0	-119.91	321.42	7.40	-112.51
CN1N=C(C(F)F)C2=C1SC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])=C2	REAL300003089494	0	39	-2.0	-108.65	350.59	8.50	-100.15
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=COC(C3CCOCC3)=N2)C1	REAL300003089495	0	43	-2.0	-111.93	348.76	6.05	-105.88
CCC1=NC(C2=CC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=C2)=NN1	REAL300003089496	0	45	-2.0	-114.96	372.38	9.91	-105.05
COCCOC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C(Cl)=C1	REAL300003089497	0	44	-2.0	-113.03	369.65	8.53	-104.50
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2CCCS(=O)(=O)C2)C1	REAL300003089498	0	42	-2.0	-122.09	338.92	5.86	-116.23
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN(C3CCOCC3)N=N2)C1	REAL300003089499	0	43	-2.0	-121.09	347.84	5.39	-115.70
CC(C)C1CC(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CCO1	REAL300003089500	0	49	-2.0	-105.26	363.61	9.25	-96.01
CCC1CC(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CCO1	REAL300003089501	0	46	-2.0	-108.75	352.51	7.97	-100.78
CCC1CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CCO1	REAL300003089502	0	43	-2.0	-107.30	330.46	7.94	-99.36
NC1=NC(C2CC2)=NC=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089503	0	40	-2.0	-102.80	333.74	7.13	-95.67
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C3CCCC3=CO2)C1	REAL300003089504	0	37	-2.0	-114.62	302.12	8.72	-105.90
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C3CCOCC3=CO2)C1	REAL300003089505	0	38	-2.0	-112.80	309.15	6.84	-105.96
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(C(=O)C3=CC=CC(O)=C3)C=C2)C1	REAL300003089506	0	46	-2.0	-110.14	382.64	9.01	-101.13
COC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CN(C)N=C1	REAL300003089507	0	40	-2.0	-109.76	330.02	6.50	-103.26
CC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC(NCC(F)(F)F)=N1	REAL300003089508	0	43	-2.0	-106.52	372.16	8.54	-97.98
CN1N=CC2=C1N=C(CCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])NC2=O	REAL300003089509	0	44	-2.0	-109.84	368.43	6.49	-103.35
COC1=CC(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC=C1O	REAL300003089510	0	41	-2.0	-109.29	340.61	6.71	-102.58
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC=C(O)C(F)=C2)C1	REAL300003089511	0	37	-2.0	-107.15	317.59	6.80	-100.35
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C(O)C2CCCCC2)C1	REAL300003089512	0	43	-2.0	-109.63	319.03	6.41	-103.22
CC1CCC(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300003089513	0	45	-2.0	-107.60	340.97	9.50	-98.10
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NOC(C3=CC=NC=C3)=C2)C1	REAL300003089514	0	38	-2.0	-116.44	327.94	7.53	-108.91
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC=CC(O)=C2)C1	REAL300003089515	0	37	-2.0	-110.64	311.37	6.73	-103.91
COC1=CC=CC=C1C1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=NO1	REAL300003089516	0	43	-2.0	-122.14	362.79	8.65	-113.49
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C(O)CCC2=CC=CC=C2)C1	REAL300003089517	0	43	-2.0	-108.95	349.71	7.88	-101.07
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C3OC(F)(F)OC3=C2)C1	REAL300003089518	0	36	-2.0	-102.95	316.38	6.72	-96.23
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN=C(C3=CC=CC=N3)S2)C1	REAL300003089519	0	38	-2.0	-114.19	337.11	7.83	-106.36
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(N3C=CN=C3)N=N2)C1	REAL300003089520	0	38	-2.0	-115.09	324.36	9.61	-105.48
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(NC3=CC=NC=C3)C=C2)C1	REAL300003089521	1	44	-2.0	-114.12	360.10	9.18	-104.94
CN1C=CN=C1CNC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003089522	0	48	-2.0	-117.77	389.78	9.50	-108.27
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(F)=C(N3CCOCC3)C(F)=C2)C1	REAL300003089523	0	46	-2.0	-105.27	370.67	7.69	-97.58
CCOCCS(=O)(=O)NCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089524	0	44	-2.0	-110.30	373.82	2.95	-107.35
CC1=CN2C=CN=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C2=N1	REAL300003089525	0	38	-2.0	-127.55	319.60	8.68	-118.87
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN=CC(N3CCOCC3)=C2)C1	REAL300003089526	0	45	-2.0	-110.68	355.16	4.65	-106.03
COC1=CC=CC=C1N1N=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1C	REAL300003089527	0	47	-2.0	-119.05	381.99	9.80	-109.25
CN(C)C1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=NC2=CC=CC=C21	REAL300003089528	0	46	-2.0	-122.95	370.43	8.63	-114.32
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(OC3CCOC3)C=C2)C1	REAL300003089529	0	45	-2.0	-112.02	360.09	8.27	-103.75
CC1=C(Br)C=CC=C1CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089530	0	39	-2.0	-106.21	334.96	10.54	-95.67
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C3C=CC=CN3C(C(F)(F)F)=N2)C1	REAL300003089531	0	39	-2.0	-131.58	341.82	9.86	-121.72
CCCC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=CN1	REAL300003089532	0	40	-2.0	-118.28	320.15	8.57	-109.71
CN(C)C1=CC=CC(CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003089533	0	47	-2.0	-109.85	373.33	9.82	-100.03
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C(Br)C(=O)N1	REAL300003089534	0	36	-2.0	-104.35	321.28	5.72	-98.63
CC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])N(C)CC(F)(F)F	REAL300003089535	0	40	-2.0	-103.89	321.56	7.43	-96.46
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCC(N3CCOCC3)CC2)C1	REAL300003089536	1	52	-2.0	-108.08	382.28	7.03	-101.05
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(F)=CC3=NNN=C32)C1	REAL300003089537	0	35	-2.0	-111.81	300.52	5.98	-105.83
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C3NN=NC3=CC(F)=C2)C1	REAL300003089537	1	35	-2.0	-104.16	303.42	4.73	-99.43
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CN=CN2CC2=CC=CC=C2)C1	REAL300003089538	0	46	-2.0	-109.77	366.02	11.87	-97.90
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C(CO)C2=CC=CC=C2)C1	REAL300003089539	0	40	-2.0	-107.57	327.87	6.63	-100.94
NC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1OC(F)(F)F	REAL300003089540	0	39	-2.0	-110.96	336.63	5.41	-105.55
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(O)C(F)=C2)C1	REAL300003089541	0	34	-2.0	-109.17	294.73	4.96	-104.21
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300003089541	1	33	-3.0	-174.35	291.17	5.72	-168.63
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CC(C)CC1=CC=C(C(C)C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003089546	0	51	-2.0	-109.07	396.29	11.54	-97.53
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COC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC(OC)=C1O	REAL300003089549	0	42	-2.0	-106.64	341.53	5.58	-101.06
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O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300003089551	1	36	-3.0	-195.35	315.89	8.47	-186.88
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CC(NS(C)(=O)=O)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089553	0	37	-2.0	-107.30	312.72	1.51	-105.79
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CC(C)(C)C1=CC=C(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003089555	0	48	-2.0	-110.01	376.99	10.95	-99.06
C[C@@H](OCC1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089556	0	43	-2.0	-110.72	349.22	9.73	-100.99
NC1=C(Cl)C=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1Cl	REAL300003089557	0	35	-2.0	-107.03	318.28	7.64	-99.39
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CC1=C2C(=NN1)N=C(C)C=C2C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089559	0	41	-2.0	-105.12	334.02	7.39	-97.73
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(C(F)(F)F)=NN2)C1	REAL300003089560	0	33	-2.0	-100.48	296.47	5.45	-95.03
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NNC(C(F)(F)F)=C2)C1	REAL300003089560	1	33	-2.0	-111.07	297.90	5.65	-105.42
CC1=CC=CN2C=C(CC(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])N=C12	REAL300003089561	0	42	-2.0	-123.11	347.90	10.77	-112.34
CC1=NC=CN1CCCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089562	0	42	-2.0	-109.98	343.91	8.80	-101.18
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O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCCCS2)C1	REAL300003089566	0	37	-2.0	-109.38	301.73	8.64	-100.74
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COC(CC(C)C)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089568	0	42	-2.0	-108.22	324.02	7.38	-100.84
C#CC1=CN=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003089569	0	34	-2.0	-110.37	295.30	7.90	-102.47
CC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1OC1=CC=NC=C1	REAL300003089570	0	46	-2.0	-113.07	379.32	9.44	-103.63
CC(=CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC=C1C	REAL300003089571	0	43	-2.0	-111.88	346.32	10.45	-101.43
CC(OC1=CC=CN=C1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089572	0	39	-2.0	-105.98	318.22	7.11	-98.87
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CC1=CC=C(C2=CN=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=C2)C=C1	REAL300003089580	0	45	-2.0	-112.63	363.82	10.80	-101.83
CC(CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])N1C=CC=N1	REAL300003089581	0	39	-2.0	-110.16	317.25	7.05	-103.11
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CC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1N1CCOCC1	REAL300003089586	0	49	-2.0	-115.68	387.24	9.10	-106.58
CN1C=C(C2=CC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])O2)C=N1	REAL300003089587	0	40	-2.0	-111.83	341.71	8.47	-103.36
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NOC(CN3C=CC=N3)=C2)C1	REAL300003089590	0	39	-2.0	-123.31	337.10	7.36	-115.95
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CC1=NN(CC(F)(F)F)C=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089592	0	39	-2.0	-113.30	343.16	8.54	-104.76
COC1=CC=CC(C(C)CCCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003089593	0	52	-2.0	-108.42	408.46	11.58	-96.84
CC1CC2=C(NN=C2)C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C1	REAL300003089594	0	43	-2.0	-108.29	337.11	7.70	-100.59
CC1CC2=CNN=C2C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C1	REAL300003089594	1	43	-2.0	-118.14	332.96	8.37	-109.77
CC1=NOC(C2(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])CC2)=C1	REAL300003089595	0	39	-2.0	-114.23	325.73	7.77	-106.46
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC2=CNC(=O)C=C2)C1	REAL300003089596	0	39	-2.0	-112.26	326.80	6.32	-105.94
COC1=CC=C(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])N=C1	REAL300003089597	0	39	-2.0	-112.35	323.39	7.19	-105.16
CN1N=CC2=C1CC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])CC2	REAL300003089598	0	43	-2.0	-111.74	340.40	7.76	-103.98
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC2=CC=C(O)C=C2)C1	REAL300003089599	0	40	-2.0	-109.38	333.21	6.59	-102.79
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NC3=NC=CC=C3C=C2)C1	REAL300003089600	0	37	-2.0	-129.02	311.85	8.61	-120.41
CCS(=O)(=O)NC(C)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089601	0	40	-2.0	-115.14	331.16	3.05	-112.09
CC1=NN(C)C2=NC(C)=C(CC(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C(C)=C12	REAL300003089602	0	50	-2.0	-109.87	393.82	9.89	-99.98
CC1=NN(C2=CC=CC=N2)C(C)=C1CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089603	0	48	-2.0	-117.94	392.76	11.47	-106.47
CC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C(C)N1C1=CC=CC=N1	REAL300003089604	0	46	-2.0	-120.96	369.19	11.73	-109.23
CC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C(C)N1C1=CC=CN=C1	REAL300003089605	0	46	-2.0	-119.29	375.87	10.86	-108.43
CCS(=O)(=O)NCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089606	0	37	-2.0	-111.46	318.29	2.91	-108.55
CS(=O)(=O)NCCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089607	0	37	-2.0	-112.04	319.32	1.78	-110.26
CC(C)(C)C1=CC=C(C(O)CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003089608	0	55	-2.0	-108.19	426.74	10.37	-97.82
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CSC(CC3=CC=C(F)C=C3)=N2)C1	REAL300003089609	0	42	-2.0	-120.74	367.76	10.73	-110.01
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(C(F)F)C=C2)C1	REAL300003089610	0	36	-2.0	-112.18	308.98	8.56	-103.62
CC1CCN(C2=CC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=N2)CC1	REAL300003089611	0	50	-2.0	-110.84	384.41	9.77	-101.07
COC1=CC=C(CN2C=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=N2)C=C1	REAL300003089612	0	47	-2.0	-118.94	391.14	8.64	-110.30
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(N3CCCC3)N=C2)C1	REAL300003089613	0	44	-2.0	-110.22	346.78	8.42	-101.80
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O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCC3(CC2)NC(=O)NC3=O)C1	REAL300003089615	0	45	-2.0	-110.85	351.88	3.14	-107.71
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O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=CC=CNC3=N2)C1	REAL300003089618	0	36	-2.0	-140.45	302.90	8.80	-131.65
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(C(F)F)=NN2)C1	REAL300003089619	0	33	-2.0	-105.00	291.62	6.35	-98.65
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CN1C=NC2=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=CN=C21	REAL300003089620	0	38	-2.0	-123.89	316.57	9.15	-114.74
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=NC(N3C=CC=N3)=C2)C1	REAL300003089622	0	39	-2.0	-112.51	333.10	8.23	-104.28
CC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])N(C)CC1=CC=CC=C1	REAL300003089623	1	47	-2.0	-107.84	360.74	7.77	-100.07
CC(C)CC1=CC=C([C@H](C)C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003089624	0	51	-2.0	-114.78	393.87	11.51	-103.27
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCN(CC(F)(F)F)CC2)C1	REAL300003089625	0	44	-2.0	-108.69	350.27	7.52	-101.17
CC(C)CCN1C=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])N=N1	REAL300003089626	0	44	-2.0	-122.53	357.23	7.46	-115.07
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=C(C=CO3)S2)C1	REAL300003089627	0	33	-2.0	-111.65	293.69	7.85	-103.80
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O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN=C(C3=CC=CN=C3)S2)C1	REAL300003089631	0	38	-2.0	-109.87	335.66	7.68	-102.19
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCCOC2=CC=C3CCCCC3=C2)C1	REAL300003089632	0	53	-2.0	-109.84	414.89	11.52	-98.32
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])NC2=C(Cl)C=CC=C12	REAL300003089633	0	40	-2.0	-111.74	341.22	10.27	-101.47
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C2=CC(Cl)=CC=C2N1	REAL300003089634	0	40	-2.0	-120.36	350.22	9.94	-110.42
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=NN1C1CCCCC1	REAL300003089635	0	49	-2.0	-116.24	379.52	9.12	-107.12
CCCCN1N=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1C	REAL300003089636	0	45	-2.0	-112.22	366.40	9.48	-102.74
CCCCN1C=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C(C)=N1	REAL300003089637	0	45	-2.0	-112.23	368.31	9.57	-102.66
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300003089638	0	39	-3.0	-185.44	341.88	4.60	-180.84
CS(=O)(=O)NC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300003089638	1	40	-2.0	-117.25	341.95	4.75	-112.50
COC1=CC=CN=C1CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089639	0	39	-2.0	-116.25	323.70	7.10	-109.15
CN1N=NC2=C1CC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])CC2	REAL300003089640	0	42	-2.0	-109.55	334.64	6.46	-103.09
CN1C=C2C(=N1)CCCC2C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089641	0	43	-2.0	-110.40	340.87	8.70	-101.70
CN1C=C(C(O)C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300003089642	0	37	-2.0	-105.05	306.43	4.32	-100.73
CN(C)CC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300003089643	1	43	-2.0	-110.92	344.70	6.40	-104.52
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(OCC3=CC=CN=C3)C=C2)C1	REAL300003089644	0	46	-2.0	-112.14	379.92	10.06	-102.08
CC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C(C)N1CC1=CC=CC=N1	REAL300003089645	0	49	-2.0	-122.85	392.83	11.45	-111.40
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300003089646	0	42	-2.0	-116.96	347.00	8.71	-108.25
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CN2C=CC=NC2=O)C1	REAL300003089647	0	35	-2.0	-127.93	299.90	5.04	-122.89
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC(CN3CCOCC3)=C2)C1	REAL300003089648	0	49	-2.0	-115.34	386.20	6.73	-108.61
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CSC(C3=NNC=N3)=N2)C1	REAL300003089650	0	38	-2.0	-122.41	340.82	7.61	-114.80
CN1CCOC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C1	REAL300003089651	0	39	-2.0	-110.58	306.22	4.05	-106.53
CCN1N=C(C)C(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1C	REAL300003089652	0	45	-2.0	-112.03	364.05	9.24	-102.79
CC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=C(S(C)(=O)=O)C=C1	REAL300003089653	0	45	-2.0	-120.54	375.84	6.38	-114.16
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NN3CCCNC3=N2)C1	REAL300003089654	0	38	-2.0	-122.04	310.55	8.37	-113.67
CSCCCCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089655	0	39	-2.0	-107.77	328.51	8.43	-99.34
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CN2C=C(Cl)C=N2)C1	REAL300003089656	0	33	-2.0	-108.16	297.62	7.44	-100.72
CN(C)S(=O)(=O)NCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089657	0	39	-2.0	-107.70	331.54	2.44	-105.26
CC(C)C1=NC=CN1CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089658	0	42	-2.0	-107.45	342.94	9.45	-98.00
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=COC(C3CC3)=N2)C1	REAL300003089659	0	36	-2.0	-113.76	305.30	6.76	-107.00
CNC1=NC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CS1	REAL300003089660	0	34	-2.0	-114.43	297.66	6.32	-108.11
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN=C(C3CC3)NC2=O)C1	REAL300003089661	0	39	-2.0	-121.07	333.04	6.95	-114.12
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300003089661	1	38	-3.0	-196.89	330.06	5.80	-191.09
CC(C)(C)OCC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=NO1	REAL300003089662	0	45	-2.0	-118.48	364.54	7.51	-110.97
CC=CCOC1=CC=CC(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003089663	0	47	-2.0	-112.24	386.31	11.25	-100.99
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=NN1CCC(C)C	REAL300003089664	0	48	-2.0	-112.09	383.97	9.98	-102.11
CC(C)CC1=CC=CC(C(C)C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003089665	0	51	-2.0	-109.86	393.48	12.29	-97.57
CC1=NN(C2=CC=CC(F)=C2)C=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089666	0	43	-2.0	-112.05	366.13	10.65	-101.40
COCCOC1=CC=CC(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003089667	0	47	-2.0	-114.10	385.33	9.08	-105.02
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(OC(F)F)C(F)=C2)C1	REAL300003089668	0	37	-2.0	-110.95	322.91	7.38	-103.57
CC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=NN1C1=CC=C(F)C=C1	REAL300003089669	0	43	-2.0	-123.77	361.41	9.87	-113.90
CC(C)C1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=NN1C1=CC=CC=C1	REAL300003089670	0	49	-2.0	-123.52	391.73	11.71	-111.81
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN(CCC3=CC=CC=C3)N=N2)C1	REAL300003089671	0	45	-2.0	-115.27	376.84	10.13	-105.14
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCCOC2=CC=C3CCCC3=C2)C1	REAL300003089673	0	50	-2.0	-110.16	397.69	10.94	-99.22
CN1C=C(CNC2=CC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=C2)C=N1	REAL300003089674	0	48	-2.0	-116.65	392.93	8.96	-107.69
CC1=NN(C(C)C)C(C)=C1CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089675	0	48	-2.0	-113.05	383.39	9.87	-103.18
CCSCC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=NO1	REAL300003089676	0	39	-2.0	-119.09	340.91	8.45	-110.64
NC1=C2N=CN(CCCCC(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C2=NC=N1	REAL300003089678	0	48	-2.0	-111.10	396.78	10.53	-100.57
CCC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])N1CCOC(CC)C1	REAL300003089679	0	51	-2.0	-110.26	381.66	7.04	-103.22
CCN(CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])CC1=CC=CC=C1Cl	REAL300003089680	0	47	-2.0	-110.98	381.24	8.69	-102.29
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2CCN(CC(F)(F)F)CC2)C1	REAL300003089681	0	47	-2.0	-107.75	372.01	7.69	-100.06
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCCN(CC(F)F)C2)C1	REAL300003089683	0	44	-2.0	-114.79	339.49	7.06	-107.73
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCCC3=C2NN=N3)C1	REAL300003089684	0	39	-2.0	-101.93	306.49	5.86	-96.07
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC(C2=NC=CN2)C2=CC=CC=C2)C1	REAL300003089685	0	46	-2.0	-116.76	369.44	9.81	-106.95
CC1=NC=CC=C1CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089686	0	38	-2.0	-107.93	311.91	8.22	-99.71
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=COC3=CC(O)=CC=C23)C1	REAL300003089687	0	37	-2.0	-112.67	313.48	6.29	-106.38
CC1CN(C2=CC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=N2)CC(C)O1	REAL300003089688	0	51	-2.0	-110.43	397.06	8.20	-102.23
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN=CC(C3=CC=CC=C3)=C2)C1	REAL300003089689	0	42	-2.0	-112.45	342.40	10.12	-102.33
CN(CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=NC2=CC=CC=C2S1	REAL300003089690	0	43	-2.0	-114.32	368.26	9.66	-104.66
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC(NC3=NC=CC=N3)=C2)C1	REAL300003089691	0	43	-2.0	-120.07	355.74	10.24	-109.83
CC(OC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=N1)C1=CC=CC=C1	REAL300003089692	0	49	-2.0	-110.33	405.44	9.33	-101.00
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)[C@@H](O)CC2=CC=CC=C2)C1	REAL300003089694	0	40	-2.0	-106.63	327.31	7.57	-99.06
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)[C@@H](O)C2=CC=CC=C2)C1	REAL300003089695	0	37	-2.0	-107.62	301.79	6.74	-100.88
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C(O)C2=CC=CC(C(F)(F)F)=C2)C1	REAL300003089696	0	40	-2.0	-104.66	336.95	7.51	-97.15
COC1=CC(C)=CC=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089697	0	40	-2.0	-119.59	322.32	9.14	-110.45
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)[C@H](O)C2=CC=CC=C2)C1	REAL300003089698	0	37	-2.0	-103.69	301.97	6.63	-97.06
CC1=CC=C(F)C(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003089699	0	39	-2.0	-110.53	327.18	10.28	-100.25
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(O)=CC=C2Cl)C1	REAL300003089700	0	34	-2.0	-114.31	302.03	5.23	-109.08
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C(O)C2=CC=CN=C2)C1	REAL300003089701	0	36	-2.0	-101.40	296.68	4.82	-96.58
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2CN(CC3=CC=CC=C3)CCO2)C1	REAL300003089702	0	52	-2.0	-112.67	408.16	9.25	-103.42
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C3C=CC=NN32)C1	REAL300003089703	0	36	-2.0	-125.34	296.62	7.77	-117.57
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C3NC=CC(=O)N3N=C2)C1	REAL300003089704	0	36	-2.0	-114.50	309.62	6.44	-108.06
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN=C3C=CC=NN23)C1	REAL300003089705	0	35	-2.0	-119.78	297.53	7.95	-111.83
CC1=CC(C(F)(F)F)=NN1CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089706	0	39	-2.0	-110.63	343.29	7.42	-103.21
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC(OCC(F)(F)F)=C2)C1	REAL300003089707	0	40	-2.0	-113.62	346.76	8.35	-105.27
CC(CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300003089708	0	46	-2.0	-112.36	369.72	9.98	-102.38
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NOC(C3=CC=CC(O)=C3)=C2)C1	REAL300003089709	0	40	-2.0	-119.63	342.92	6.35	-113.28
CC1=C(NCC(C)(C)C)C=CC=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089710	0	53	-2.0	-114.42	403.29	9.99	-104.43
CC1=C(NC(C)C(C)C)C=CC=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089711	0	53	-2.0	-112.75	397.66	10.58	-102.17
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CC(OCC3=CC=CC=C3)C2)C1	REAL300003089712	0	47	-2.0	-110.90	380.34	9.71	-101.19
CC(OC1=CC=CC(CO)=C1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089713	0	44	-2.0	-112.35	355.97	6.20	-106.15
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=NN1C1=CC=NC=C1	REAL300003089714	0	42	-2.0	-110.48	343.62	8.38	-102.10
CCN1C=C(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300003089715	0	39	-2.0	-111.00	324.69	8.24	-102.76
CC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CN(C)C2=CC=CC=C12	REAL300003089716	0	46	-2.0	-116.09	369.94	10.72	-105.37
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])NC(C2=CC(C)=CC=C2)=N1	REAL300003089718	0	46	-2.0	-110.90	374.97	9.68	-101.22
CC1=NC2=CC=CC=C2N1CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089719	0	42	-2.0	-111.62	347.46	10.38	-101.24
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC=C3OC(F)(F)OC3=C2)C1	REAL300003089720	0	39	-2.0	-103.40	339.95	8.68	-94.72
NS(=O)(=O)N1CCCC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C1	REAL300003089721	0	43	-2.0	-115.37	349.18	2.81	-112.56
CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089722	0	47	-2.0	-116.76	377.73	4.49	-112.27
CC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1OCCC2=C1C=CS2	REAL300003089723	0	44	-2.0	-109.44	353.79	9.59	-99.85
NC1=NC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=NC(N2CCOCC2)=N1	REAL300003089724	0	45	-2.0	-111.79	365.18	7.72	-104.07
CC1=CN2C=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=CC2=N1	REAL300003089725	0	39	-2.0	-117.30	329.76	9.02	-108.28
CNC1=CC=C(Cl)C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003089726	0	38	-2.0	-112.50	327.02	6.91	-105.59
CCC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=CN1C	REAL300003089727	0	40	-2.0	-119.63	320.38	9.49	-110.14
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NOC(CN3CCCC3)=C2)C1	REAL300003089728	0	44	-2.0	-113.14	354.15	7.19	-105.95
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=COC3=C2C(=O)CCC3)C1	REAL300003089730	0	39	-2.0	-130.63	319.27	9.20	-121.43
CC(C)CC1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003089731	0	49	-2.0	-111.00	390.10	12.79	-98.21
CS(=O)(=O)NC1=CC=CC(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003089732	0	44	-2.0	-119.72	376.52	6.03	-113.69
CC1=NC(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C(C)S1	REAL300003089733	0	38	-2.0	-112.41	325.82	7.95	-104.46
CC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC(=O)N1	REAL300003089734	0	36	-2.0	-109.58	301.10	6.10	-103.48
CNC1=NC(C)=CC=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089735	0	40	-2.0	-108.51	326.82	7.34	-101.17
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CN(CC3=CC=CC=C3)CCO2)C1	REAL300003089736	0	49	-2.0	-112.04	382.45	7.73	-104.31
COC1=CC(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC(OC)=C1O	REAL300003089737	0	45	-2.0	-110.26	369.82	6.59	-103.67
COCCS(=O)(=O)CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089738	0	39	-2.0	-116.35	337.45	2.66	-113.69
COC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1OCCO	REAL300003089739	0	45	-2.0	-115.98	369.39	4.78	-111.20
CN(CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=C2NC=NC2=NC=N1	REAL300003089740	0	42	-2.0	-116.24	342.33	7.41	-108.83
CN(CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=C2N=CNC2=NC=N1	REAL300003089740	1	42	-2.0	-117.98	343.83	7.58	-110.40
CN(CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=C2N=CN=C2NC=N1	REAL300003089740	1	42	-2.0	-116.84	347.74	9.31	-107.53
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCCC2=CC=CC=N2)C1	REAL300003089741	0	41	-2.0	-112.49	337.37	9.39	-103.10
CC(C)NC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300003089742	0	43	-2.0	-112.19	343.24	7.86	-104.33
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(N3CCCC3)C(F)=C2)C1	REAL300003089743	0	45	-2.0	-109.63	353.51	8.99	-100.64
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(N3CCOCC3)C(F)=C2)C1	REAL300003089744	0	46	-2.0	-108.32	367.01	7.71	-100.61
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O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC(O)C2=CC=C(Cl)C=C2)C1	REAL300003089769	0	40	-2.0	-108.71	345.81	7.65	-101.06
CC1(C)CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C2=CC=CC=C2O1	REAL300003089770	0	47	-2.0	-112.83	364.61	9.37	-103.46
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CCC(C)(C)OCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089772	0	42	-2.0	-109.88	326.02	8.26	-101.62
COC1=CC=CC(N2C=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])N=N2)=C1	REAL300003089773	0	43	-2.0	-118.77	359.62	8.17	-110.60
CC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300003089774	0	45	-2.0	-111.08	358.19	11.87	-99.21
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CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300003089777	0	43	-3.0	-207.97	369.53	8.64	-199.33
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(NCC3=CSC=C3)C=C2)C1	REAL300003089778	0	45	-2.0	-113.36	380.11	10.10	-103.26
CC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])N1CCSCC1	REAL300003089779	0	42	-2.0	-105.62	327.12	6.88	-98.74
CC(C)CC1=CC=C(CCCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003089780	0	54	-2.0	-107.89	424.35	13.85	-94.04
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(NCC3CC3)N=C2)C1	REAL300003089781	0	44	-2.0	-111.59	355.78	8.75	-102.84
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1	REAL300003089782	0	40	-3.0	-201.82	348.69	7.49	-194.33
CC(C)(C)SC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC=N1	REAL300003089783	0	45	-2.0	-108.26	367.55	9.96	-98.30
COC1=CC=C(COCCCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003089784	0	50	-2.0	-110.75	407.23	8.79	-101.96
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=NC(C3=NC=CN3)=C2)C1	REAL300003089786	0	39	-2.0	-111.30	336.98	7.28	-104.02
CN(CCC1=CC=CC=C1)CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089787	1	47	-2.0	-106.86	373.21	9.36	-97.50
CC1=CN(C2CCOCC2)N=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089789	0	47	-2.0	-122.75	370.68	7.54	-115.21
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CN2N=NC3=C2CCCC3)C1	REAL300003089790	0	42	-2.0	-113.87	338.11	7.97	-105.90
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NC=CN3C=CN=C23)C1	REAL300003089792	0	35	-2.0	-126.30	297.89	8.05	-118.25
COCCOCCC1=NC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CN1	REAL300003089793	0	47	-2.0	-120.76	388.27	6.75	-114.01
COCCOCCC1=NC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])N1	REAL300003089793	1	47	-2.0	-109.14	388.67	6.40	-102.74
CC1=NC(C2CC2)=CC=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089794	0	42	-2.0	-108.93	340.17	9.24	-99.69
NS(=O)(=O)N1CCC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300003089795	0	43	-2.0	-108.54	350.13	2.79	-105.75
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCNS(=O)(=O)C2=CC=CN=C2)C1	REAL300003089796	0	43	-2.0	-111.12	371.92	3.21	-107.91
COC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC=N1	REAL300003089797	0	36	-2.0	-107.42	303.76	4.35	-103.07
CNC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300003089798	0	37	-2.0	-112.50	302.75	6.38	-106.12
CN(C)C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300003089799	0	40	-2.0	-113.29	321.52	8.34	-104.95
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NNC3=C2CCC3)C1	REAL300003089800	0	37	-2.0	-120.00	300.87	7.46	-112.54
CC1=NNC(C)=C1C(C)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089801	0	42	-2.0	-106.17	324.44	7.06	-99.11
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CNC2=CC=CC=N2)C1	REAL300003089803	0	37	-2.0	-107.73	308.47	5.98	-101.75
COC1=CC(C)=CN=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089804	0	39	-2.0	-122.90	321.54	7.81	-115.09
CC(C)(C)C1=CN=C(CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])O1	REAL300003089805	0	47	-2.0	-110.12	380.68	6.89	-103.23
CSC1=CC=CC=C1CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089806	0	40	-2.0	-115.71	338.27	9.54	-106.17
CCC1=NN(C)C(CC)=C1CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089807	0	48	-2.0	-111.92	379.88	9.63	-102.29
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)COCC2CCCC2)C1	REAL300003089808	0	43	-2.0	-109.44	340.27	9.20	-100.24
CCSC1=CC=C(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003089809	0	43	-2.0	-109.45	360.91	10.33	-99.12
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC3=CC=CC(O)=C32)C1	REAL300003089810	0	40	-2.0	-116.38	324.61	8.95	-107.43
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C(O)C3=CC=CC=C3C=N2)C1	REAL300003089811	0	39	-2.0	-122.23	326.43	7.56	-114.67
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300003089811	1	38	-3.0	-216.06	322.87	8.52	-207.54
CC1=CC=CC(Cl)=C1CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089812	0	39	-2.0	-112.95	331.86	9.58	-103.37
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C3OCCCN3N=C2)C1	REAL300003089813	0	38	-2.0	-120.05	309.53	5.70	-114.35
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CN=CC(O)=C2)C1	REAL300003089814	0	36	-2.0	-108.91	306.23	4.93	-103.98
CCOC1=NC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CO1	REAL300003089815	0	36	-2.0	-121.11	307.74	3.83	-117.28
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=CN=CN3C=C2)C1	REAL300003089816	0	36	-2.0	-108.04	310.17	10.10	-97.94
CN1N=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1OC(F)F	REAL300003089817	0	37	-2.0	-117.59	320.27	5.67	-111.92
CC(C)C1=CC=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300003089818	0	41	-2.0	-124.27	330.15	8.49	-115.78
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(OC(F)F)C=N2)C1	REAL300003089819	0	36	-2.0	-122.54	309.28	6.19	-116.35
CCC1=CC=CC=C1N1C=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])N=N1	REAL300003089820	0	45	-2.0	-117.71	364.63	10.35	-107.36
CC1=CC(F)=CC=C1N1C=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])N=N1	REAL300003089821	0	42	-2.0	-111.92	351.64	9.50	-102.42
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=COC3=CC(F)=CC=C23)C1	REAL300003089822	0	39	-2.0	-107.43	334.59	10.01	-97.42
CN(C)S(=O)(=O)N(C)CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089823	0	42	-2.0	-101.51	348.42	4.25	-97.26
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC(NCC3=CC=CC=N3)=C2)C1	REAL300003089824	0	47	-2.0	-116.70	385.53	9.39	-107.31
CC(C)S(=O)(=O)C1=CC=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003089825	0	45	-2.0	-114.37	367.18	7.45	-106.92
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])SC(C2=CC=CC=C2C)=N1	REAL300003089826	0	45	-2.0	-113.79	375.51	10.29	-103.50
CC1=NOC(C)=C1C1=NC(C)=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300003089827	0	44	-2.0	-107.65	372.81	9.03	-98.62
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=NC(C3=CC=C(Cl)C=C3)=N2)C1	REAL300003089828	0	41	-2.0	-113.97	358.21	10.98	-102.99
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)COC2CCOC2)C1	REAL300003089829	0	38	-2.0	-107.89	309.22	5.28	-102.61
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC=C(OCC3=CC=CC=N3)C=C2)C1	REAL300003089830	0	49	-2.0	-112.35	404.82	10.22	-102.13
CC(OC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1)C1=CC=CC=C1	REAL300003089831	0	50	-2.0	-112.03	402.22	12.51	-99.52
CN(CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1CCSC1	REAL300003089832	1	42	-2.0	-107.52	329.38	6.01	-101.51
CC(C)CN1C=CC2=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=CC=C21	REAL300003089833	0	49	-2.0	-123.59	386.74	12.54	-111.05
CC1=CC=CC=C1N1C=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])N=N1	REAL300003089834	0	42	-2.0	-115.96	350.07	9.58	-106.38
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC(C3=C(F)C=CC=C3F)=C2)C1	REAL300003089835	0	43	-2.0	-118.16	368.83	11.40	-106.76
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])N=C(C(C)C)O1	REAL300003089836	0	41	-2.0	-120.18	335.39	6.41	-113.77
CC(OCC1=CC=NC=C1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089837	0	42	-2.0	-109.41	345.00	7.69	-101.72
CN1C=NC=C1[C@@H]1C[C@H]1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089838	0	40	-2.0	-115.12	330.25	9.02	-106.10
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN(CC(O)CO)N=C2)C1	REAL300003089839	0	41	-2.0	-123.64	343.98	0.86	-122.78
CCC1=CC=C(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])N=C1	REAL300003089840	0	41	-2.0	-113.12	336.74	9.33	-103.79
CN1N=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C2=C1CCCC2	REAL300003089841	0	43	-2.0	-123.52	338.66	9.25	-114.27
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CSC(CO)=N2)C1	REAL300003089842	0	33	-2.0	-119.32	293.61	3.76	-115.56
CCON1CCC(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300003089843	0	48	-2.0	-107.47	365.50	6.97	-100.50
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)[C@@H]2C[C@H]2C2=CC=CN=C2)C1	REAL300003089844	0	39	-2.0	-111.25	321.61	8.02	-103.23
CC1=CC(N(C)C)=CC(C)=C1CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089848	0	50	-2.0	-112.84	386.35	10.05	-102.79
CC1=NN(C)C2=NC(C)=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=C12	REAL300003089850	0	44	-2.0	-107.87	362.22	8.89	-98.98
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])SC2=NC=CC(C)=C12	REAL300003089851	0	41	-2.0	-118.98	338.10	9.07	-109.91
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CC(=O)C1=CC=C(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003089856	0	41	-2.0	-112.68	342.02	8.96	-103.72
CN1C=C(S(=O)(=O)NCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300003089857	0	41	-2.0	-110.12	359.44	1.99	-108.13
CN1C=C(C2=CN=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=C2)C=N1	REAL300003089858	0	42	-2.0	-120.98	352.72	7.24	-113.74
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC2=NC3=CC=CNC3=N2)C1	REAL300003089859	0	41	-2.0	-134.39	342.31	7.62	-126.77
CC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])N1CCC2=CC=CC=C2C1	REAL300003089860	0	48	-2.0	-109.95	362.54	7.97	-101.98
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NC=CN3C=CN=C23)C1	REAL300003089861	0	35	-2.0	-126.30	297.89	8.05	-118.25
CC1=NC(C)=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])N=C1C	REAL300003089862	0	40	-2.0	-114.42	329.01	5.70	-108.72
CC1=CC2=CC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])N=C2C=C1	REAL300003089863	0	41	-2.0	-120.74	338.30	10.19	-110.55
CC1=CN=CC(CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003089864	0	41	-2.0	-109.24	338.48	8.30	-100.94
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NC3=CN=CC=C3S2)C1	REAL300003089865	0	34	-2.0	-116.82	303.54	6.21	-110.61
COC1=CC=C2OC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C2=C1	REAL300003089866	0	40	-2.0	-113.76	331.88	7.22	-106.54
CC1=CN=C(COCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])O1	REAL300003089867	0	39	-2.0	-114.29	332.84	4.63	-109.66
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=NC3=NNN=C32)C1	REAL300003089868	0	34	-2.0	-110.46	295.34	5.41	-105.05
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NN3CCCOC3=C2)C1	REAL300003089869	0	38	-2.0	-116.90	311.64	6.02	-110.88
CC1(C)COC2=CC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=C21	REAL300003089870	0	44	-2.0	-113.32	351.88	8.45	-104.87
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CC23CCOC2=CC=CC=C23)C1	REAL300003089871	0	45	-2.0	-111.88	353.69	9.36	-102.52
CC1=CC(Br)=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003089872	0	36	-2.0	-110.24	317.36	9.88	-100.36
COC(CC1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089873	0	43	-2.0	-109.90	349.47	9.28	-100.62
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(C3=NNC(C4CC4)=N3)C=C2)C1	REAL300003089874	0	46	-2.0	-116.16	382.13	9.85	-106.31
CN(C)C1=CC=C(C2=CN=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=C2)C=C1	REAL300003089875	0	50	-2.0	-117.95	398.18	9.77	-108.18
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=NC(C(F)(F)F)=CN3C=C2)C1	REAL300003089876	0	39	-2.0	-114.42	348.96	9.39	-105.03
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN3C=C(C(F)(F)F)N=C3C=C2)C1	REAL300003089877	0	39	-2.0	-105.63	345.98	9.09	-96.54
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C3N=CC(Br)=CN3N=C2)C1	REAL300003089878	0	35	-2.0	-118.25	318.32	8.14	-110.11
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(C3=CC=C4OCCC4=C3)=NO2)C1	REAL300003089879	0	44	-2.0	-108.94	367.61	9.55	-99.39
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C3N=CSC3=CC=C2)C1	REAL300003089881	0	35	-2.0	-123.00	312.20	8.27	-114.73
COCCN1C=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C(C)=N1	REAL300003089882	0	43	-2.0	-110.56	358.98	7.09	-103.47
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN=C(OCC3=CC=CC=C3)C=N2)C1	REAL300003089883	0	45	-2.0	-108.70	379.36	8.03	-100.67
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CC3CSCC(C2)C3=O)C1	REAL300003089884	0	43	-2.0	-109.07	333.21	8.92	-100.15
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CS(=O)(=O)C2CC2)C1	REAL300003089885	0	36	-2.0	-120.30	312.52	5.31	-114.99
CC1=CC=C(C(C)C(O)C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003089886	0	46	-2.0	-108.84	358.02	8.49	-100.35
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NN(CC3=CC=CC=C3)C=C2)C1	REAL300003089887	0	43	-2.0	-124.56	359.60	10.77	-113.79
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NN(C3CCCCC3)C=C2)C1	REAL300003089888	0	46	-2.0	-120.51	360.29	10.23	-110.28
CNC1=CN=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300003089889	0	36	-2.0	-118.11	300.99	4.48	-113.63
CN(C)C1=CN=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300003089890	0	39	-2.0	-113.52	319.10	7.14	-106.38
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN=C(OC3=CC=CC=C3)C=N2)C1	REAL300003089891	0	42	-2.0	-110.02	355.56	7.82	-102.20
CC(C)OC1=CN=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300003089892	0	41	-2.0	-108.57	339.52	6.04	-102.53
CCC1=NC=CN1C(C)CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089895	0	45	-2.0	-105.56	358.62	9.10	-96.46
CON1CCC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300003089896	0	42	-2.0	-106.97	324.77	6.23	-100.74
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=NC(NC3CCC3)=C2)C1	REAL300003089897	0	44	-2.0	-105.65	359.04	8.70	-96.95
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C3NC=NC3=CN=C2)C1	REAL300003089899	0	35	-2.0	-108.28	293.06	6.37	-101.91
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CNC=C3N=CN=C32)C1	REAL300003089899	1	35	-2.0	-128.53	302.04	6.90	-121.63
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCCN3C=C(C(F)(F)F)N=C23)C1	REAL300003089900	0	43	-2.0	-130.29	354.40	9.37	-120.92
CN1CCCC1C1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=NN1	REAL300003089901	0	45	-2.0	-118.33	359.78	5.13	-113.20
CN1CCCC1C1=NNC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003089901	1	45	-2.0	-105.38	350.23	5.64	-99.74
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC=C(N3C=CN=C3)C=C2)C1	REAL300003089902	0	43	-2.0	-110.21	356.76	11.01	-99.20
CC1=CC=NC=C1CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089903	0	38	-2.0	-108.93	313.09	7.39	-101.54
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CNC=C3N=C(C(F)(F)F)N=C32)C1	REAL300003089904	0	38	-2.0	-140.87	342.48	5.88	-134.99
CN1CCC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C2=CC=CC=C21	REAL300003089905	0	45	-2.0	-114.94	347.83	8.04	-106.90
CCC1=CNC(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300003089906	0	39	-2.0	-114.95	322.30	7.63	-107.32
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C3CCCCN3C(C(F)(F)F)=N2)C1	REAL300003089907	0	43	-2.0	-118.58	355.12	10.25	-108.33
CC1CN(C)CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])O1	REAL300003089908	0	42	-2.0	-109.93	327.55	4.87	-105.06
CN1C=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C(=O)NC1=O	REAL300003089909	0	36	-2.0	-112.18	307.39	5.43	-106.75
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(C(F)(F)F)=CNC2=O)C1	REAL300003089910	0	36	-2.0	-127.05	319.00	5.55	-121.50
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=NN3C=CC=NC3=N2)C1	REAL300003089911	0	37	-2.0	-127.50	317.56	9.49	-118.01
CC1=C2C=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=NC2=NN1	REAL300003089913	0	38	-2.0	-112.35	320.72	6.25	-106.10
CC1=NN(C)C(C)=C1C1=NNC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003089914	0	46	-2.0	-108.47	378.71	7.83	-100.64
CC1=NN(C)C(C)=C1C1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=NN1	REAL300003089914	1	46	-2.0	-117.72	380.65	8.02	-109.70
CC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])N1CCOCC1	REAL300003089915	0	42	-2.0	-107.22	321.84	4.72	-102.50
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NNC3=C2CCCCC3)C1	REAL300003089916	0	43	-2.0	-119.23	329.96	8.37	-110.86
CC(CN1CCOCC1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089917	0	45	-2.0	-105.34	344.20	5.64	-99.70
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCN2CCN(C3=CC=CC=N3)CC2)C1	REAL300003089918	1	52	-2.0	-108.18	403.89	7.81	-100.37
CC(C)N1C=CC=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089919	0	40	-2.0	-115.03	327.49	9.70	-105.33
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=NC=CC=C3C=C2)C1	REAL300003089920	0	38	-2.0	-125.67	318.64	8.09	-117.58
CC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC=C1O	REAL300003089921	0	37	-2.0	-114.15	308.40	5.55	-108.60
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NN3C=CC=NC3=C2)C1	REAL300003089922	0	35	-2.0	-121.56	299.00	7.96	-113.60
CC1=NC2=CC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=C2C=C1	REAL300003089923	0	41	-2.0	-113.79	335.76	9.54	-104.25
COC1=CC(Cl)=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003089924	0	37	-2.0	-109.37	320.38	8.44	-100.93
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C3NC=NC3=CC=C2)C1	REAL300003089925	0	36	-2.0	-109.95	297.88	8.30	-101.65
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C3N=CNC3=CC=C2)C1	REAL300003089925	1	36	-2.0	-128.55	306.91	8.52	-120.03
CC1=NC(C2=CC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=C2)=CS1	REAL300003089926	0	42	-2.0	-112.53	358.17	9.96	-102.57
COC1=CC=CC(C2=NNC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=C2)=C1	REAL300003089927	0	44	-2.0	-111.24	364.27	7.34	-103.90
COC1=CC=CC(C2=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=NN2)=C1	REAL300003089927	1	44	-2.0	-116.23	363.59	8.45	-107.78
CC1CCN(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300003089928	1	44	-2.0	-108.93	336.11	6.50	-102.43
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC(N3CCCC3)=C2)C1	REAL300003089929	0	45	-2.0	-113.63	353.69	8.18	-105.45
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC=C(F)C=C2Br)C1	REAL300003089930	0	36	-2.0	-104.67	324.96	10.17	-94.50
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=COC3=CC=CC=C23)C1	REAL300003089931	0	39	-2.0	-112.51	328.27	9.94	-102.57
CCCC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=NO1	REAL300003089932	0	38	-2.0	-117.36	317.71	7.90	-109.46
CC1=C(CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])SC=N1	REAL300003089933	0	38	-2.0	-108.00	324.59	7.01	-100.99
CC1=CC=C2SC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=CC2=C1	REAL300003089934	0	39	-2.0	-113.90	334.56	10.59	-103.31
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC2=CC=C(F)C=C2F)C1	REAL300003089935	0	39	-2.0	-106.90	334.06	9.54	-97.36
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(Cl)=CC(Br)=C2)C1	REAL300003089936	0	33	-2.0	-104.33	312.65	9.72	-94.61
CC1=CC=CC(C)=C1NCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089937	0	44	-2.0	-108.91	351.63	8.33	-100.58
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(OC3CCC3)C=C2)C1	REAL300003089938	0	44	-2.0	-110.99	351.77	10.19	-100.80
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCC3=CNN=C3C2)C1	REAL300003089939	0	40	-2.0	-121.05	319.13	6.53	-114.52
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN=C(NC3CC3)S2)C1	REAL300003089940	0	38	-2.0	-109.46	330.10	7.55	-101.91
CCN1CCOC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C1	REAL300003089941	0	42	-2.0	-111.15	319.68	4.50	-106.65
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCCOC2=CC=CN=C2)C1	REAL300003089942	0	42	-2.0	-109.57	346.54	8.19	-101.38
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(C3=CC=CC=C3)=NS2)C1	REAL300003089943	0	39	-2.0	-110.55	338.67	8.87	-101.68
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCSC3=CC=CC=C32)C1	REAL300003089944	0	41	-2.0	-112.67	335.23	9.65	-103.02
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=N2)=C1	REAL300003089945	0	43	-3.0	-212.74	367.01	8.07	-204.67
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300003089946	0	46	-3.0	-218.81	388.70	8.56	-210.25
C[C@H](CC1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003089947	0	42	-2.0	-107.66	335.09	10.49	-97.17
CC(O)(CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC=C1	REAL300003089948	0	43	-2.0	-109.46	342.02	8.02	-101.44
CC(C)(C)C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300003089949	0	42	-2.0	-113.76	346.98	9.24	-104.52
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=NSC3=CC=CC=C32)C1	REAL300003089950	0	38	-2.0	-111.15	331.53	8.62	-102.53
CCC(O)(CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC=C1	REAL300003089951	0	46	-2.0	-99.72	362.07	8.44	-91.28
CCCC(=CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])CCC	REAL300003089952	0	45	-2.0	-111.72	351.59	10.04	-101.68
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O=C([O-])C1CCC(C(=O)[O-])N(C(=O)COC2=CC(F)=CC(F)=C2)C1	REAL300003089959	0	37	-2.0	-105.12	322.73	8.74	-96.38
CN(C)C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])N=C1	REAL300003089960	0	40	-2.0	-122.28	321.53	7.05	-115.23
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CN1C=CN=C1CN1CCC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300003089972	0	51	-2.0	-114.01	387.38	8.24	-105.77
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O=C([O-])C1CCC(C(=O)[O-])N(C(=O)[C@@H]2C[C@H]2C2=CNC=N2)C1	REAL300003089981	0	37	-2.0	-118.42	309.02	8.51	-109.91
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COC1=CN=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1C	REAL300003089997	0	39	-2.0	-111.10	316.65	5.59	-105.51
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC=CC3=CN=CC=C32)C1	REAL300003089998	0	41	-2.0	-111.31	337.90	9.92	-101.39
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN3CCOCC3=N2)C1	REAL300003089999	0	38	-2.0	-125.29	311.46	6.24	-119.05
CC1=C2C=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])OC2=C(F)C=C1	REAL300003090000	0	39	-2.0	-123.18	331.47	9.03	-114.15
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)[C@@H]2CC[C@H](C(F)(F)F)O2)C1	REAL300003090001	0	37	-2.0	-109.57	311.95	7.63	-101.94
CC1=C(C)N2N=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=C2C=C1	REAL300003090002	0	42	-2.0	-121.32	339.51	9.52	-111.80
CN1CCN(CC2=CC=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=C2)CC1	REAL300003090003	1	53	-2.0	-113.73	410.06	6.55	-107.18
CN1CCN(CC2=CC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=C2)CC1	REAL300003090004	1	53	-2.0	-113.14	407.18	7.53	-105.61
CC1=NC2=CC=NN2C(C)=C1CCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090006	0	47	-2.0	-110.35	378.10	9.27	-101.08
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCSCC2=CC=CC=N2)C1	REAL300003090007	0	42	-2.0	-108.58	361.38	9.91	-98.67
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=NC(N3C=CN=C3)=C2)C1	REAL300003090008	0	39	-2.0	-105.07	329.15	9.35	-95.72
CNS(=O)(=O)CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090009	0	34	-2.0	-113.29	297.21	1.13	-112.16
CC(C)(C)NS(=O)(=O)CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090010	0	43	-2.0	-112.55	344.71	3.42	-109.13
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN=C3NC=CC=C23)C1	REAL300003090011	0	36	-2.0	-133.81	305.44	7.01	-126.80
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(NC3CC3)N=C2)C1	REAL300003090012	0	41	-2.0	-111.92	333.59	8.02	-103.90
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])N=NN1CC1=CC=C(F)C=C1	REAL300003090014	0	45	-2.0	-116.44	374.40	9.65	-106.79
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC(C3=CN=CO3)=C2)C1	REAL300003090015	0	39	-2.0	-114.32	330.76	6.06	-108.26
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(O)=CC(Br)=C2)C1	REAL300003090016	0	34	-2.0	-108.27	306.97	6.37	-101.90
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC(Br)=CC=C2F)C1	REAL300003090017	0	36	-2.0	-107.97	327.09	10.24	-97.73
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC(N3C=CN=C3)=C2)C1	REAL300003090018	0	40	-2.0	-112.72	330.07	10.99	-101.73
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(C3=CNC=N3)C=C2)C1	REAL300003090019	0	40	-2.0	-124.45	335.00	8.90	-115.55
CC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])N1C=NC2=CC=CC=C21	REAL300003090020	0	42	-2.0	-105.76	344.12	10.62	-95.14
COC1=NC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300003090021	0	35	-2.0	-102.77	295.01	3.17	-99.60
CC1=CC(=O)C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CN1	REAL300003090022	0	36	-2.0	-129.53	304.83	7.60	-121.93
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(C3=NNC=N3)C=C2)C1	REAL300003090023	0	39	-2.0	-115.79	328.95	9.41	-106.38
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(C3=NN=CN3)C=C2)C1	REAL300003090023	1	39	-2.0	-113.85	326.69	9.77	-104.08
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN=CC(C(F)(F)F)=C2)C1	REAL300003090024	0	35	-2.0	-106.07	309.78	6.78	-99.29
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=NC(C(F)(F)F)=C2)C1	REAL300003090025	0	35	-2.0	-101.57	310.67	6.92	-94.65
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=C(C=CS3)N2)C1	REAL300003090026	0	34	-2.0	-109.93	297.75	8.24	-101.69
CN1N=C2C=CC=CC2=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090027	0	39	-2.0	-112.36	328.11	8.47	-103.89
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC(CN3C=CN=C3)=C2)C1	REAL300003090028	0	43	-2.0	-119.59	358.99	10.87	-108.72
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(=O)NC3=CC=C(F)C=C32)C1	REAL300003090029	0	39	-2.0	-116.06	337.32	7.69	-108.37
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CSC(N3CCCCC3)=N2)C1	REAL300003090030	0	44	-2.0	-118.72	357.68	8.83	-109.89
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C3SC=CC3=CC=C2)C1	REAL300003090031	0	36	-2.0	-117.74	308.47	9.90	-107.84
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=CC(F)=CC=C3N=C2)C1	REAL300003090032	0	38	-2.0	-110.61	325.17	8.18	-102.43
CC1=CC=C(O)C=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090033	0	37	-2.0	-112.18	305.86	6.22	-105.96
CC1=NC2=CC=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=C2N1	REAL300003090034	0	39	-2.0	-112.35	328.91	8.34	-104.01
CC1=NC2=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=CC=C2N1	REAL300003090034	1	39	-2.0	-129.54	320.84	8.15	-121.39
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NC3=CC=NN3C=C2)C1	REAL300003090035	0	35	-2.0	-118.13	297.42	7.35	-110.78
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC2=CN=CC=N2)C1	REAL300003090036	0	37	-2.0	-111.21	311.16	5.79	-105.42
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCCN2C=NC=N2)C1	REAL300003090037	0	38	-2.0	-113.06	318.93	9.80	-103.26
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=CC=NC=C3C=C2)C1	REAL300003090038	0	38	-2.0	-110.67	314.08	9.06	-101.61
CN1CCC2=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=CC=C21	REAL300003090039	0	42	-2.0	-108.47	343.00	8.52	-99.95
CCC(C)OC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003090040	0	46	-2.0	-111.28	364.12	10.27	-101.01
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C(O)C2CCOCC2)C1	REAL300003090041	0	41	-2.0	-105.27	315.42	4.25	-101.02
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCCC3CCCCC32)C1	REAL300003090042	0	49	-2.0	-111.44	359.78	10.21	-101.23
CS(=O)C1=CC=C(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003090043	0	41	-2.0	-122.03	351.44	7.06	-114.97
CCC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])OC2=CC=CC=C21	REAL300003090044	0	42	-2.0	-116.27	343.30	10.43	-105.84
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=COC(C3CCCCC3)=N2)C1	REAL300003090045	0	45	-2.0	-119.58	358.92	7.48	-112.10
CC(C)(C)C1CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C1	REAL300003090046	0	45	-2.0	-107.64	339.52	9.85	-97.79
COC1CCCCC1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090047	0	43	-2.0	-110.70	331.31	7.05	-103.65
CC(C)(C)C1=NC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300003090048	0	43	-2.0	-108.50	348.37	7.58	-100.92
CCOC1=CN=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300003090049	0	38	-2.0	-113.63	320.10	4.25	-109.38
CCN1N=C(C)C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300003090050	0	38	-2.0	-113.24	313.93	5.76	-107.48
COCC1=NC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300003090051	0	36	-2.0	-107.42	316.74	5.48	-101.94
CC1=CC=C(CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300003090052	0	39	-2.0	-108.51	334.30	9.32	-99.19
CC(C)(C)SCCCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090053	0	45	-2.0	-108.08	363.35	9.64	-98.44
COC1CCC(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300003090054	0	46	-2.0	-108.10	352.58	7.89	-100.21
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C[C@H]2CCCC[C@@H]2O)C1	REAL300003090055	0	43	-2.0	-111.29	329.31	6.48	-104.81
CS(=O)C1=CC=CC=C1CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090056	0	41	-2.0	-108.95	346.00	7.80	-101.15
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300003090057	0	33	-3.0	-172.32	304.25	7.14	-165.18
CC(C)C1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC(=O)N1	REAL300003090058	0	42	-2.0	-114.18	341.75	7.37	-106.81
CC1=C(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C2=CC=CC=C2O1	REAL300003090059	0	42	-2.0	-111.93	348.62	10.72	-101.21
CC1=C(CO)C=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])O1	REAL300003090060	0	37	-2.0	-121.46	310.78	4.03	-117.43
CC1=CC=CC2=C1OC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C2	REAL300003090061	0	41	-2.0	-113.27	332.65	9.81	-103.46
NS(=O)(=O)CCCCCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090062	0	43	-2.0	-117.53	362.00	2.99	-114.54
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=C(CCC3)N2)C1	REAL300003090063	0	38	-2.0	-113.28	310.01	8.73	-104.55
CC(C)OC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC=N1	REAL300003090064	0	42	-2.0	-108.35	342.34	7.16	-101.19
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C=C2CCSCC2)C1	REAL300003090065	0	38	-2.0	-106.03	309.76	8.99	-97.04
CC(C)N1C=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300003090066	0	39	-2.0	-110.85	316.95	7.71	-103.14
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCC3=NNC=C3C2)C1	REAL300003090067	0	40	-2.0	-109.19	319.02	7.51	-101.68
COC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])NC(=O)NC1=O	REAL300003090068	0	37	-2.0	-101.31	320.75	2.87	-98.44
COC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])NC(=O)[N-]C1=O	REAL300003090068	1	36	-3.0	-176.93	317.43	-0.01	-176.94
CCCC1=NC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CO1	REAL300003090069	0	38	-2.0	-119.22	317.96	5.75	-113.47
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(C3CC3)S2)C1	REAL300003090070	0	37	-2.0	-112.17	318.10	10.02	-102.15
CCCC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC=C1Cl	REAL300003090071	0	42	-2.0	-107.13	352.27	11.17	-95.96
CC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C(Cl)=C1C	REAL300003090072	0	39	-2.0	-112.41	326.10	9.09	-103.32
CC(C)(CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1CCCCC1	REAL300003090073	0	51	-2.0	-107.76	362.89	10.24	-97.52
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC(C3CCC3)=C2)C1	REAL300003090074	0	43	-2.0	-116.68	341.73	10.18	-106.50
CC1CCC(C)(C=CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C1(C)C	REAL300003090075	0	52	-2.0	-111.06	379.85	10.60	-100.46
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C3NC=CC=C3N=C2)C1	REAL300003090076	0	36	-2.0	-128.08	300.06	6.81	-121.27
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)COC2=CSC=C2)C1	REAL300003090077	0	34	-2.0	-108.59	300.69	7.57	-101.02
CCCC1=NC(C)=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])O1	REAL300003090078	0	41	-2.0	-111.65	336.29	5.62	-106.03
CC(OC1=CC=CC=N1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090079	0	39	-2.0	-112.69	322.56	6.59	-106.10
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC=C3COCC3=C2)C1	REAL300003090080	0	41	-2.0	-108.88	336.31	8.88	-100.00
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(CO)C(F)=C2)C1	REAL300003090081	0	37	-2.0	-109.73	309.65	6.11	-103.62
CCCCS(=O)(=O)NCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090082	0	43	-2.0	-111.00	361.29	4.49	-106.51
COC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=NN1C	REAL300003090083	0	37	-2.0	-113.05	310.09	5.29	-107.76
CN1N=NC2=CC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=C21	REAL300003090084	0	38	-2.0	-107.65	317.69	6.03	-101.62
CC1=C(CCCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])SC=C1	REAL300003090085	0	42	-2.0	-108.31	352.47	9.87	-98.44
CNC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1F	REAL300003090087	0	38	-2.0	-111.27	317.82	6.62	-104.65
CC(OCC1=CC=C(F)C=C1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090088	0	43	-2.0	-108.12	357.66	9.57	-98.55
CC(C)C1=CC=C2OC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C2=C1	REAL300003090089	0	45	-2.0	-112.16	362.89	9.86	-102.30
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])OC(CC2CC2)=N1	REAL300003090090	0	42	-2.0	-111.12	345.59	6.29	-104.83
CCOCC1=NC(C)=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300003090091	0	42	-2.0	-109.43	357.90	7.05	-102.38
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C(O)CC2=CC=CC(C(F)(F)F)=C2)C1	REAL300003090092	0	43	-2.0	-103.55	365.96	8.06	-95.49
COC1=C(S(N)(=O)=O)SC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003090093	0	39	-2.0	-106.29	351.54	1.91	-104.38
C=C(C)C(CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])OCC	REAL300003090094	0	43	-2.0	-108.34	347.42	8.91	-99.43
CC1=NC2=CC=CC=C2C=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090095	0	41	-2.0	-110.84	334.88	9.32	-101.52
CC(C)(C)OC1=CC=CC(CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300003090096	0	51	-2.0	-111.82	400.25	9.61	-102.21
CCN1N=CC2=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=C(C)N=C21	REAL300003090097	0	44	-2.0	-107.40	361.23	8.99	-98.41
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C(C3=CC=CC=C3)N=CO2)C1	REAL300003090098	0	39	-2.0	-113.16	334.29	6.11	-107.05
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CC(O)(C3=CC=CC(Cl)=C3)C2)C1	REAL300003090099	0	44	-2.0	-107.47	366.90	8.66	-98.81
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CN2C=CC(C(F)F)=N2)C1	REAL300003090100	0	36	-2.0	-109.21	315.62	7.76	-101.45
CC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])N1N=NN=C1C(C)(C)C	REAL300003090101	0	46	-2.0	-108.99	358.21	7.51	-101.48
CN1C=CC(C=CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003090102	0	38	-2.0	-119.35	318.51	8.91	-110.44
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NC3=CC=CC=C3S2)C1	REAL300003090103	0	35	-2.0	-116.03	309.21	7.05	-108.98
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=NC(C3=CC=C(F)C=C3)=CS2)C1	REAL300003090104	0	42	-2.0	-112.00	369.85	10.38	-101.62
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CN2C=NC3=CC=CC=C32)C1	REAL300003090105	0	39	-2.0	-110.18	327.82	10.58	-99.60
CCC1=NC2=CC=CC=C2N1CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090106	0	45	-2.0	-109.77	370.23	10.04	-99.73
CC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])N1CCC2=CC=CC=C21	REAL300003090107	0	45	-2.0	-112.09	339.86	7.88	-104.21
CN(C)C1=NOC(CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300003090108	0	42	-2.0	-109.30	349.61	7.39	-101.91
CN1N=CC=C1[C@@H]1C[C@H]1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090109	0	40	-2.0	-111.15	330.61	7.48	-103.67
CC(C)(C)C1=CC=C(CSCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003090110	0	52	-2.0	-108.88	420.96	13.30	-95.58
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(C3=CC=CC=C3)=CC=N2)C1	REAL300003090111	0	42	-2.0	-121.75	345.90	10.14	-111.61
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=CC=CN3C=N2)C1	REAL300003090112	0	36	-2.0	-120.42	304.62	9.84	-110.58
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C(O)C2=CC=CC=C2)C1	REAL300003090113	0	37	-2.0	-103.13	299.81	6.56	-96.57
CCN(CC)C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003090114	0	47	-2.0	-114.56	368.81	10.85	-103.71
CN(C)C1=CC=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003090115	0	41	-2.0	-116.07	328.99	8.12	-107.95
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)COC2=CC=CC=C2O)C1	REAL300003090116	0	38	-2.0	-111.28	320.67	6.28	-105.00
CC1=CC=C(S(=O)(=O)NCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003090117	0	44	-2.0	-109.09	375.80	5.89	-103.20
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C3N=CSC3=C2)C1	REAL300003090118	0	35	-2.0	-113.55	308.66	7.10	-106.45
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCCS(=O)(=O)N2CCCC2)C1	REAL300003090119	0	47	-2.0	-114.86	386.49	5.62	-109.24
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCCN2C=CC=N2)C1	REAL300003090120	0	39	-2.0	-111.94	324.68	7.40	-104.54
CC1=C(C)SC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300003090121	0	35	-2.0	-119.71	303.31	6.93	-112.78
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC(CO)=C2)C1	REAL300003090122	0	37	-2.0	-115.25	306.99	5.94	-109.31
CC1=NN=C2CCC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])CN12	REAL300003090123	0	42	-2.0	-107.59	334.28	8.35	-99.24
CCN(CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC=C1	REAL300003090124	0	44	-2.0	-112.55	348.22	9.67	-102.88
CN(C)C1=NC2=C(C=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])S2)S1	REAL300003090125	0	40	-2.0	-115.14	355.10	8.96	-106.18
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=NC(N3CCCCC3)=N2)C1	REAL300003090129	0	46	-2.0	-113.38	357.37	9.93	-103.45
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=C(CCCC3)N2)C1	REAL300003090130	0	41	-2.0	-112.82	327.81	9.28	-103.54
CC1=CC=C(NC2=CC=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=C2)N=N1	REAL300003090131	0	46	-2.0	-114.19	377.22	8.59	-105.60
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CSC3=CN=CN32)C1	REAL300003090132	0	33	-2.0	-103.45	297.06	8.86	-94.59
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)COC2CCOCC2)C1	REAL300003090133	0	41	-2.0	-108.69	328.45	6.27	-102.42
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(N3CCC(O)CC3)C=C2)C1	REAL300003090134	0	49	-2.0	-112.94	376.97	6.51	-106.43
CC(OCCC1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090135	0	46	-2.0	-108.95	372.75	10.26	-98.69
CN1C=NC=C1CCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090136	0	39	-2.0	-109.95	322.73	8.56	-101.39
CC1(C=CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CCOCC1	REAL300003090137	0	44	-2.0	-108.53	336.72	8.25	-100.28
CC1=CC(F)=CC(N2C=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])N=N2)=C1	REAL300003090138	0	42	-2.0	-119.51	358.43	8.62	-110.89
COC(C)(C)C1=NC(C)=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300003090139	0	45	-2.0	-110.94	368.48	7.14	-103.80
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CN2C=NC(C3=CC=CC=C3)=N2)C1	REAL300003090140	0	42	-2.0	-114.34	356.89	10.33	-104.01
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(N3CCOCC3)=NC=N2)C1	REAL300003090141	0	44	-2.0	-108.99	352.60	7.24	-101.75
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCCC2=N[N-]N=N2)C1	REAL300003090142	0	36	-3.0	-166.13	308.74	4.81	-161.32
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCCC2=NN=N[N-]2)C1	REAL300003090142	1	36	-3.0	-166.13	308.80	4.82	-161.31
COCC(C)C(C)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090143	0	42	-2.0	-107.59	328.02	6.41	-101.18
CCC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1CCC(C)CC1	REAL300003090144	0	51	-2.0	-110.46	370.32	10.20	-100.26
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C(C(F)(F)F)C=NN2)C1	REAL300003090145	0	33	-2.0	-104.90	295.36	6.39	-98.51
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NNC=C2C(F)(F)F)C1	REAL300003090145	1	33	-2.0	-116.61	292.21	6.53	-110.08
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(=O)NC(C3CC3)=C2)C1	REAL300003090146	0	40	-2.0	-109.10	330.14	6.76	-102.34
CC(=O)C1=CN(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])N=N1	REAL300003090147	0	37	-2.0	-108.66	321.40	5.08	-103.58
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2(C(F)(F)F)CC2)C1	REAL300003090148	0	36	-2.0	-106.56	304.54	7.81	-98.75
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=NC3=CC=NN32)C1	REAL300003090149	0	35	-2.0	-113.39	293.12	8.06	-105.33
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2CC3CCC2O3)C1	REAL300003090150	0	41	-2.0	-106.34	313.73	7.47	-98.87
CC1=CC2=C(C)C=CN=C2C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003090151	0	44	-2.0	-126.51	359.73	10.44	-116.07
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN(C3=CC=CN=C3)N=C2)C1	REAL300003090152	0	39	-2.0	-110.83	327.66	7.95	-102.88
CC(O)C1=CN(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])N=N1	REAL300003090153	0	39	-2.0	-114.96	329.33	2.69	-112.27
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NC(C3=CC=CC=C3)=CS2)C1	REAL300003090154	0	39	-2.0	-112.16	340.40	8.33	-103.83
CC1=C(C(C)C)N=C(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300003090155	0	44	-2.0	-112.99	367.72	9.33	-103.66
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCCC2=NC=CS2)C1	REAL300003090156	0	38	-2.0	-110.88	328.48	7.33	-103.55
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CCCCCCCCC(O)CCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090158	0	57	-2.0	-108.20	443.85	9.42	-98.78
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=NC(C3=CC=CC=C3)=CS2)C1	REAL300003090159	0	42	-2.0	-114.92	363.45	10.31	-104.61
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CC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=NC=C1	REAL300003090163	0	38	-2.0	-107.01	308.32	7.16	-99.85
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CCCOC1=CC=NC(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300003090165	0	44	-2.0	-112.27	366.00	6.81	-105.46
CC(=CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])CN1CCOCC1	REAL300003090166	0	46	-2.0	-111.36	357.76	5.42	-105.94
CC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C2=NC=CC=C12	REAL300003090167	0	41	-2.0	-128.02	330.53	9.80	-118.22
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C3C=COC3=C(F)C=C2)C1	REAL300003090168	0	36	-2.0	-111.74	314.78	9.27	-102.47
C=CC1(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CCCCC1	REAL300003090169	0	46	-2.0	-105.51	337.08	10.02	-95.49
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C3C=COC3=C(Cl)C=C2)C1	REAL300003090170	0	36	-2.0	-112.11	325.09	9.72	-102.39
CC1=CC=CC=C1NCCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090171	0	44	-2.0	-106.51	353.13	9.30	-97.21
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C=CC2=CC=C(O)C=C2)C1	REAL300003090172	0	38	-2.0	-110.70	319.98	7.27	-103.43
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C([O-])C(Cl)=C2)C1	REAL300003090173	0	33	-3.0	-173.31	300.96	6.21	-167.10
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CC(C)C1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C(O)C(C(C)C)=C1	REAL300003090174	0	52	-2.0	-117.48	410.19	9.99	-107.49
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(CO)C=C2)C1	REAL300003090175	0	37	-2.0	-113.97	306.71	5.89	-108.08
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCNS(=O)(=O)C2=CC=CS2)C1	REAL300003090176	0	41	-2.0	-109.21	368.42	4.95	-104.26
CCOC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC(Cl)=C1O	REAL300003090177	0	41	-2.0	-107.15	352.66	7.21	-99.94
CCOC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300003090177	1	40	-3.0	-177.96	348.63	8.15	-169.81
CCC1=NC2=CC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=C2N=C1CC	REAL300003090178	0	49	-2.0	-116.31	392.08	8.61	-107.70
COC1=CC=C(Cl)C=C1NCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090179	0	42	-2.0	-108.69	357.23	6.64	-102.05
C#CCN1CCC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300003090180	1	43	-2.0	-109.91	343.36	7.78	-102.13
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(OCC3CC3)N=C2)C1	REAL300003090181	0	43	-2.0	-107.36	353.66	7.74	-99.62
COC1=CC=C(N2C=C([O-])C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=N2)C=C1	REAL300003090183	0	44	-3.0	-209.58	371.21	6.70	-202.88
CCC1=NOC2=NC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=C12	REAL300003090184	0	40	-2.0	-103.32	336.56	5.82	-97.50
CC(C)C1=NC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CN1	REAL300003090185	0	39	-2.0	-120.25	318.20	8.01	-112.24
CC(C)C1=NC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])N1	REAL300003090185	1	39	-2.0	-104.66	316.80	6.73	-97.93
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC(OC3=CC=NC=C3)=C2)C1	REAL300003090186	0	43	-2.0	-121.56	358.84	8.72	-112.84
CC1=NC(CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CS1	REAL300003090187	0	38	-2.0	-111.99	328.43	7.15	-104.84
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CNC(C2=CC=CC=C2)C(F)(F)F)C1	REAL300003090188	0	44	-2.0	-106.09	370.53	8.82	-97.27
CC(C)C1=NC=CN1CCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090189	0	45	-2.0	-106.86	364.43	9.04	-97.82
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2(O)CCCCC2)C1	REAL300003090190	0	43	-2.0	-110.85	326.07	6.71	-104.14
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC(NC3=CC=CC=C3)=C2)C1	REAL300003090191	0	45	-2.0	-117.32	367.83	10.00	-107.32
CC1(CCCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])NC(=O)NC1=O	REAL300003090192	0	44	-2.0	-109.72	358.61	3.20	-106.52
CC(C)C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300003090193	0	41	-2.0	-110.54	328.10	8.55	-101.99
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCN3C=NC=C3C2)C1	REAL300003090194	0	40	-2.0	-110.81	319.98	8.69	-102.12
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)COC2=CC=C(Cl)C(F)=C2)C1	REAL300003090195	0	37	-2.0	-106.88	332.33	9.11	-97.77
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(CC3=NN=CN3)C=C2)C1	REAL300003090196	0	42	-2.0	-122.27	350.69	10.42	-111.85
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(CC3=NNC=N3)C=C2)C1	REAL300003090196	1	42	-2.0	-117.74	351.32	10.03	-107.71
NS(=O)(=O)C1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CO1	REAL300003090197	0	35	-2.0	-110.75	312.87	1.78	-108.97
CNS(=O)(=O)C1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CO1	REAL300003090198	0	38	-2.0	-114.43	335.60	1.91	-112.52
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CO1	REAL300003090198	1	37	-3.0	-183.99	332.59	1.46	-182.53
CC(O)C1=NC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300003090199	0	36	-2.0	-113.15	313.93	3.97	-109.18
COCC1=NN(C)C=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090200	0	40	-2.0	-115.41	337.47	6.22	-109.19
CCC1=NN=C(C)C=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090201	0	40	-2.0	-105.13	326.01	6.58	-98.55
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN=NC(C3=CC=CC=C3)=C2)C1	REAL300003090202	0	41	-2.0	-107.98	343.57	8.44	-99.54
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCN(C3=CC=CC=C3F)C2)C1	REAL300003090203	0	45	-2.0	-114.10	356.85	8.23	-105.87
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCN(C3=CC=CC=C3Cl)C2)C1	REAL300003090204	0	45	-2.0	-112.37	366.58	8.90	-103.47
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(OCC(F)(F)F)C=N2)C1	REAL300003090205	0	39	-2.0	-114.92	340.95	7.33	-107.59
CN1C=NC2=CC=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=C21	REAL300003090206	0	39	-2.0	-108.46	315.62	9.36	-99.10
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C3OC=CC3=CC(F)=C2)C1	REAL300003090207	0	36	-2.0	-119.98	305.00	7.81	-112.17
CC1=C2C=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])OC2=CC=C1	REAL300003090208	0	39	-2.0	-117.89	325.06	8.97	-108.92
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC2NC(=O)NC2=O)C1	REAL300003090209	0	38	-2.0	-108.93	320.32	2.78	-106.15
CN(C)C1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003090210	0	45	-2.0	-113.27	359.79	10.46	-102.81
CC1=CC=C(S(N)(=O)=O)C=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090211	0	41	-2.0	-124.65	346.19	3.04	-121.61
CC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C(C)N1C	REAL300003090212	0	40	-2.0	-119.13	319.15	9.26	-109.87
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CSCCS2)C1	REAL300003090213	0	35	-2.0	-108.15	302.95	8.66	-99.49
CC1=NNC(C)=C1CCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090214	0	42	-2.0	-109.14	342.68	6.97	-102.17
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CSC(C3=CC=CC=N3)=N2)C1	REAL300003090215	0	41	-2.0	-123.80	359.45	8.64	-115.16
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(N3CCOCC3)=CC=N2)C1	REAL300003090216	0	45	-2.0	-115.43	354.90	6.25	-109.18
CC1=NNC(C)=C1CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090217	0	39	-2.0	-109.44	320.82	7.13	-102.31
NS(=O)(=O)C1=CC=C(CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003090218	0	44	-2.0	-114.38	376.37	4.40	-109.98
COC1=NC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC2=CC=CC=C21	REAL300003090219	0	42	-2.0	-115.28	338.74	8.43	-106.85
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CSC(NC3=CC=CC=N3)=N2)C1	REAL300003090221	0	40	-2.0	-119.68	346.94	9.80	-109.88
CCC(CC)N1C=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300003090222	0	45	-2.0	-123.26	356.89	8.85	-114.41
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCC(=O)C3=CC=CC=C32)C1	REAL300003090223	0	42	-2.0	-110.16	338.52	9.19	-100.97
CC1=NC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C(N)=N1	REAL300003090224	0	36	-2.0	-103.69	299.66	5.23	-98.46
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCCC2=CC=C(O)C(F)=C2)C1	REAL300003090225	0	43	-2.0	-111.12	360.94	7.44	-103.68
COC1=CN=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300003090226	0	35	-2.0	-113.49	295.19	3.62	-109.87
CCC1=CC=NC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003090227	0	38	-2.0	-120.97	314.24	8.14	-112.83
COC(=CC1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090228	0	41	-2.0	-112.67	340.41	9.15	-103.52
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC3=NNN=C32)C1	REAL300003090229	0	35	-2.0	-119.12	301.64	6.17	-112.95
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC3=C2CCCC3)C1	REAL300003090230	0	43	-2.0	-116.07	335.44	9.97	-106.10
CC1=C(C=CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=NN1C	REAL300003090231	0	40	-2.0	-118.04	331.60	7.46	-110.58
CC1=CC=NC2=CC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=C12	REAL300003090232	0	41	-2.0	-117.16	334.93	8.57	-108.59
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CN3N=NN=C23)C1	REAL300003090233	0	34	-2.0	-118.70	298.17	7.06	-111.64
CC(C)N1N=CC=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090234	0	39	-2.0	-108.46	318.65	8.06	-100.40
CC1=C(CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=NN1C	REAL300003090235	0	42	-2.0	-111.54	342.77	7.64	-103.90
COC1=NOC(CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003090236	0	39	-2.0	-108.43	330.11	5.01	-103.42
COC1=CC=CC2=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])NN=C21	REAL300003090237	0	40	-2.0	-112.40	334.10	5.56	-106.84
CC1=CC=C(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1O	REAL300003090238	0	40	-2.0	-111.31	331.44	7.48	-103.83
CN1C=NC=C1C=CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090239	0	37	-2.0	-116.08	310.34	8.30	-107.78
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C=CC2=CN=CS2)C1	REAL300003090240	0	33	-2.0	-111.10	295.10	6.45	-104.65
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CNC3=NC=NC3=C2)C1	REAL300003090241	0	35	-2.0	-114.26	301.76	6.68	-107.58
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NC3=NC=CN=C3C=C2)C1	REAL300003090242	0	36	-2.0	-121.71	306.77	6.69	-115.02
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])SC(CC2CC2)=N1	REAL300003090243	0	42	-2.0	-108.19	354.77	9.26	-98.93
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2CCN(CC(F)F)CC2)C1	REAL300003090244	0	47	-2.0	-110.35	365.44	7.53	-102.82
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(C3=CC=CC=N3)=NO2)C1	REAL300003090245	0	38	-2.0	-111.40	328.18	7.98	-103.42
CCNC1=NC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300003090246	0	37	-2.0	-109.17	320.12	6.58	-102.59
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CNC3=CC=CC(Cl)=C23)C1	REAL300003090247	0	40	-2.0	-116.48	344.92	10.00	-106.48
CC1=CC(C)=NC(=O)N1CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090248	0	41	-2.0	-128.64	339.62	6.15	-122.49
CC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300003090249	0	42	-2.0	-112.17	352.51	9.95	-102.22
CCCCOC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C(Cl)=C1	REAL300003090250	0	46	-2.0	-110.05	379.02	10.84	-99.21
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC=C(Br)C(O)=C2)C1	REAL300003090251	0	37	-2.0	-106.74	331.79	7.40	-99.34
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CSC(C3=CC=CC=C3O)=N2)C1	REAL300003090252	0	42	-2.0	-116.45	358.32	6.44	-110.01
CCCC1CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CCO1	REAL300003090253	0	46	-2.0	-107.59	345.54	8.46	-99.13
CN1CCC2=C(C1)C1=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=CC=C1N2	REAL300003090254	0	49	-2.0	-114.76	393.07	8.59	-106.17
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN3C=C(Cl)C=C(Cl)C3=N2)C1	REAL300003090255	0	36	-2.0	-117.45	336.85	10.92	-106.53
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(N3C=NC4=CC=CC=C43)N=C2)C1	REAL300003090256	0	45	-2.0	-112.90	369.84	12.42	-100.48
CS(=O)(=O)C1=CC=C(NCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003090257	0	44	-2.0	-112.16	374.35	4.40	-107.76
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=CC=C(C(F)(F)F)C=C3N2)C1	REAL300003090258	0	40	-2.0	-105.94	346.38	10.17	-95.77
CC(OC1=CC=C(C(F)(F)F)C=C1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090259	0	43	-2.0	-105.92	360.20	10.14	-95.78
CC1=CC=C(OCCCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C(C)=C1	REAL300003090260	0	49	-2.0	-109.14	393.20	11.40	-97.74
CN(C)C1=NC2=CC=CC=C2C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003090261	0	46	-2.0	-113.84	369.36	9.39	-104.45
CC1=CC=C(C2=NNC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=C2)C=C1C	REAL300003090262	0	46	-2.0	-108.09	372.37	9.20	-98.89
CC1=CC=C(C2=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=NN2)C=C1C	REAL300003090262	1	46	-2.0	-118.40	372.85	9.36	-109.04
CC1=NNC(C)=C1C(C)CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090263	0	45	-2.0	-109.73	349.09	7.20	-102.53
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=NC(N3CCCC3)=N2)C1	REAL300003090264	0	43	-2.0	-122.43	345.48	8.34	-114.09
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCCN(CC(F)(F)F)C2)C1	REAL300003090265	0	44	-2.0	-111.45	346.02	7.18	-104.27
C[C@H](OC1=CC=C(Cl)C=C1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090266	0	40	-2.0	-110.60	337.38	9.23	-101.37
CC1=CN(C2=CC=CC=C2)N=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090267	0	43	-2.0	-131.10	354.01	10.06	-121.04
CC1=NN(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1C1=CC=CC=C1	REAL300003090268	0	46	-2.0	-114.13	382.50	11.16	-102.97
CC(C)(C)C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1Cl	REAL300003090269	0	45	-2.0	-108.42	356.62	11.09	-97.33
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C3C(=C2)CCCCC3=O)C1	REAL300003090270	0	45	-2.0	-109.95	356.26	10.47	-99.48
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCC3=NC=CN3C2)C1	REAL300003090271	0	40	-2.0	-103.76	319.63	8.88	-94.88
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(CC3=CC=CC=C3)=NN2)C1	REAL300003090272	0	43	-2.0	-106.91	357.63	8.78	-98.13
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC(C2=CC=C(O)C=C2)C2CC2)C1	REAL300003090273	0	47	-2.0	-106.10	376.02	9.06	-97.04
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCN3C=CN=C3C2)C1	REAL300003090274	0	40	-2.0	-116.00	319.21	7.88	-108.12
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCC3=CN=CN3C2)C1	REAL300003090275	0	40	-2.0	-103.95	318.28	9.53	-94.42
CC(C)C[C@H](NCC(F)(F)F)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090276	0	46	-2.0	-104.54	365.88	8.66	-95.88
NS(=O)(=O)CCCCCCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090277	0	46	-2.0	-117.96	383.50	3.77	-114.19
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(OCC(F)F)N=C2)C1	REAL300003090278	0	39	-2.0	-108.36	335.00	6.48	-101.88
CC(C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1)C(F)(F)F	REAL300003090279	0	42	-2.0	-111.87	348.86	10.74	-101.13
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN=C(OCC(F)F)C=N2)C1	REAL300003090280	0	38	-2.0	-117.16	333.11	4.57	-112.59
CC(C)(O)C1CCC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300003090281	0	49	-2.0	-109.57	353.32	7.22	-102.35
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2CS(=O)(=O)C2)C1	REAL300003090282	0	36	-2.0	-111.97	307.08	3.58	-108.39
CC(C)N1C=CC(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300003090283	0	42	-2.0	-116.00	343.05	7.78	-108.22
CN1C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC2=C1N=C1C=CC=CN1C2=O	REAL300003090284	0	45	-2.0	-126.02	369.45	10.91	-115.11
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC2=NC3=CC=CC=C3C=C2)C1	REAL300003090285	0	44	-2.0	-117.36	362.65	9.80	-107.56
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC2=CC=CN=C2)C1	REAL300003090286	0	38	-2.0	-108.47	315.45	7.49	-100.98
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC2=NC3=CC=CC=C3N2)C1	REAL300003090287	0	42	-2.0	-115.42	348.43	8.13	-107.29
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=CC=C(F)C=C3S2)C1	REAL300003090288	0	36	-2.0	-110.41	320.04	10.08	-100.33
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)COCC2=NC3=CC=CC=C3S2)C1	REAL300003090289	0	42	-2.0	-116.13	367.10	8.52	-107.61
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(N3CCCC3)=CC=N2)C1	REAL300003090290	0	44	-2.0	-115.16	347.68	8.00	-107.16
CN(C)C1=CC=C(CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003090291	0	47	-2.0	-110.11	373.30	9.83	-100.28
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C(O)C(O)C2=NC3=CC=CC=C3S2)C1	REAL300003090292	0	43	-2.0	-113.91	366.23	3.73	-110.18
CC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C2C(=N1)ON=C2C(C)C	REAL300003090293	0	46	-2.0	-100.71	375.28	7.37	-93.34
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CSC(C3=CC=CC=N3)=N2)C1	REAL300003090294	0	38	-2.0	-127.99	335.71	8.27	-119.72
CCN(CC)CC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])O1	REAL300003090295	1	47	-2.0	-111.30	366.65	7.70	-103.60
CN(CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC=C1	REAL300003090297	0	41	-2.0	-112.38	331.34	8.81	-103.57
CC1=CC=C(N2CCC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])CC2)N=C1	REAL300003090298	0	50	-2.0	-111.58	388.94	9.01	-102.57
CN(CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])CC1=CC=CC=C1	REAL300003090299	0	44	-2.0	-108.21	350.82	8.50	-99.71
CN(C)C1=CC=NC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003090300	0	40	-2.0	-121.00	323.26	7.12	-113.88
CCCCN(CC)C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003090301	0	53	-2.0	-114.77	411.80	12.38	-102.39
CCCCN(C)C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003090302	0	50	-2.0	-114.75	389.99	11.44	-103.31
CCCN(CC)C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300003090303	0	49	-2.0	-114.10	386.64	10.99	-103.11
CC(=CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC(Cl)=C1	REAL300003090304	0	40	-2.0	-109.42	346.62	10.47	-98.95
CN1CCOCC1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090305	0	39	-2.0	-109.20	304.45	3.13	-106.07
CN1C=CC(CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300003090306	0	39	-2.0	-115.21	325.00	7.12	-108.09
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=C(C=CO3)N2)C1	REAL300003090307	0	34	-2.0	-111.28	290.96	7.01	-104.27
CC1=CC2=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=NN2C=C1	REAL300003090308	0	39	-2.0	-122.27	322.18	9.02	-113.25
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CNC3=NC=CC3=C2)C1	REAL300003090309	0	36	-2.0	-103.80	308.53	8.07	-95.73
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN=C3NC=CC3=C2)C1	REAL300003090309	1	36	-2.0	-115.71	299.39	7.77	-107.94
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(C3=NNC=C3)S2)C1	REAL300003090310	0	37	-2.0	-113.78	326.93	6.78	-107.00
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=NN2CC(F)(F)F)C1	REAL300003090311	0	36	-2.0	-103.66	311.37	7.25	-96.41
CC(C)CC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])N1C=CN=C1	REAL300003090312	0	45	-2.0	-108.70	354.87	10.13	-98.57
CCC1=NN(C)C=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090313	0	39	-2.0	-112.52	325.12	7.91	-104.61
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NN3CCCCC3=C2)C1	REAL300003090314	0	40	-2.0	-122.70	320.77	7.63	-115.07
CCC(C)(C)C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003090315	0	48	-2.0	-112.03	364.24	11.35	-100.68
CC(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])N1	REAL300003090316	0	36	-2.0	-120.32	303.55	6.32	-114.00
COC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C(C)=C1OC	REAL300003090317	0	44	-2.0	-110.58	351.81	7.41	-103.17
COCCN1N=CC=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090318	0	40	-2.0	-106.25	328.01	6.23	-100.02
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN(C3=CC=NC=C3)N=C2)C1	REAL300003090319	0	39	-2.0	-108.76	327.90	7.98	-100.78
CC(CC1=CC=C(Br)C=C1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090320	0	42	-2.0	-107.01	359.23	10.39	-96.62
CC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C(C)N1C1=CN(C)N=C1	REAL300003090321	0	47	-2.0	-120.52	382.78	10.34	-110.18
CCOC1=C2C(CC(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=CNC2=CC=C1	REAL300003090322	0	47	-2.0	-119.21	382.25	9.90	-109.31
NC1=C(Cl)C=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1Cl	REAL300003090323	0	35	-2.0	-106.83	315.32	6.57	-100.26
CCCC1=NOC2=NC(CC)=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=C12	REAL300003090324	0	49	-2.0	-99.40	392.82	8.13	-91.27
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN(CC3CC3)N=N2)C1	REAL300003090325	0	39	-2.0	-122.76	327.24	6.92	-115.84
CCCN1C=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])N=N1	REAL300003090326	0	38	-2.0	-122.96	318.16	6.17	-116.79
CC(C)N1C=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])N=N1	REAL300003090327	0	38	-2.0	-122.55	315.44	5.93	-116.62
CC1=NC(CN2C=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])N=N2)=NO1	REAL300003090328	0	40	-2.0	-119.89	346.92	4.85	-115.04
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN(CC3CCOC3)N=N2)C1	REAL300003090329	0	43	-2.0	-126.21	352.63	5.47	-120.74
CC1=CC(CN2N=NC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=C2C)=NO1	REAL300003090330	0	44	-2.0	-125.04	368.41	7.84	-117.20
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])N=NN1CC1CCCC1	REAL300003090331	0	48	-2.0	-116.98	376.28	9.20	-107.78
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300003090332	0	36	-3.0	-165.17	316.56	5.77	-159.40
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300003090332	1	36	-3.0	-165.15	316.63	5.77	-159.38
CC(CC1=CN(C)N=C1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090333	0	42	-2.0	-107.88	340.37	7.50	-100.38
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])N=C(C2=CN(C)N=C2)O1	REAL300003090334	0	42	-2.0	-121.23	356.27	6.72	-114.51
CC1=NC2=CC=NN2C=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090335	0	38	-2.0	-107.01	320.56	8.01	-99.00
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=NC(OCC(F)F)=C2)C1	REAL300003090336	0	39	-2.0	-111.65	335.22	6.55	-105.10
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC(OCC(F)F)=N2)C1	REAL300003090337	0	39	-2.0	-116.01	334.20	6.73	-109.28
CC(=O)C1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC=C1C	REAL300003090338	0	41	-2.0	-110.24	331.79	8.66	-101.58
CC1=CC2=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])N=CN2C=C1	REAL300003090339	0	39	-2.0	-133.66	322.96	10.42	-123.24
CC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=NN1C1CCCCC1	REAL300003090340	0	49	-2.0	-125.62	381.78	10.89	-114.73
CC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=NN1C(C)C1CC1	REAL300003090341	0	46	-2.0	-123.57	371.68	10.55	-113.02
CN(C)CC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=NO1	REAL300003090342	0	40	-2.0	-118.05	329.97	5.16	-112.89
CN(C)C1=C2C=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])N(C)C2=NC=N1	REAL300003090343	0	46	-2.0	-108.86	365.07	9.34	-99.52
CCC(CC)N1N=C(C)C=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090344	0	48	-2.0	-110.84	373.56	8.91	-101.93
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(OCC(F)F)=CC=N2)C1	REAL300003090345	0	39	-2.0	-124.20	335.88	7.29	-116.91
COC1=CC=CN2N=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=C12	REAL300003090347	0	40	-2.0	-126.15	330.02	7.59	-118.56
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN(C3CCC3)N=C2)C1	REAL300003090348	0	40	-2.0	-115.30	324.67	7.35	-107.95
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=NC=CC=C3O2)C1	REAL300003090349	0	35	-2.0	-112.10	298.81	7.37	-104.73
COCCCOC1=CC=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1C	REAL300003090350	0	50	-2.0	-114.24	398.10	8.27	-105.97
COC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC=C1C(F)(F)F	REAL300003090351	0	43	-2.0	-113.54	350.66	9.23	-104.31
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=NN2C2CCC2)C1	REAL300003090352	0	40	-2.0	-107.77	321.71	8.61	-99.16
CC1=C(C=CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])SC=N1	REAL300003090353	0	36	-2.0	-111.46	314.56	6.98	-104.48
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C=CC2=CC=C(Cl)C=C2)C1	REAL300003090354	0	37	-2.0	-107.63	325.72	10.62	-97.01
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC3=C2OCC3)C1	REAL300003090355	0	38	-2.0	-122.27	308.64	8.66	-113.61
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C(C(C)(C)C)O1	REAL300003090356	0	45	-2.0	-114.62	359.58	9.14	-105.48
CC1=CC(CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=NO1	REAL300003090357	0	38	-2.0	-113.23	319.09	7.54	-105.69
CC(C)(C)C1=NC=C(C=CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300003090358	0	45	-2.0	-113.75	376.24	8.95	-104.80
CS(=O)(=O)NC1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003090359	0	45	-2.0	-117.72	382.20	6.83	-110.89
CCC(C)OC1=CC=CC=C1C=CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090360	0	50	-2.0	-116.48	399.64	10.96	-105.52
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C=CC2=NC3=CC(Cl)=CC=C3C=C2)C1	REAL300003090361	0	42	-2.0	-121.79	370.29	10.30	-111.49
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C(C3CC3)OC(C3CC3)=C2)C1	REAL300003090363	0	44	-2.0	-114.05	360.86	11.47	-102.58
CC1=CC=CC=C1C(C)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090364	0	42	-2.0	-109.63	329.89	10.18	-99.45
COC1=NN(C)C=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090365	0	37	-2.0	-116.40	309.87	4.42	-111.98
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C=CC2=CC=CC(OC3CCCC3)=C2)C1	REAL300003090366	0	51	-2.0	-110.60	404.06	11.38	-99.22
CCC1=CC=C(Br)C=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090367	0	39	-2.0	-114.17	333.85	9.37	-104.80
COC1=CC(Br)=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003090368	0	37	-2.0	-109.25	324.94	8.53	-100.72
COC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=NC=N1	REAL300003090370	0	35	-2.0	-107.49	297.75	5.72	-101.77
COC1=NC=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300003090371	0	35	-2.0	-114.73	297.60	4.34	-110.39
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C3C(Br)=CC=CN3N=C2)C1	REAL300003090372	0	36	-2.0	-119.24	319.89	8.67	-110.57
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(C(F)(F)F)O2)C1	REAL300003090373	0	33	-2.0	-106.65	298.29	8.07	-98.58
CCC1=NOC(COCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300003090374	0	41	-2.0	-111.71	348.49	5.30	-106.41
COC1=CC2=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=C(C)N=C2C=C1	REAL300003090375	0	45	-2.0	-111.47	364.21	8.61	-102.86
CC1=CN=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C(C)=C1	REAL300003090376	0	38	-2.0	-123.35	317.00	7.03	-116.32
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=NC(C3=CC=CO3)=C2)C1	REAL300003090377	0	39	-2.0	-111.98	334.12	7.73	-104.25
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN=CC(C(F)(F)F)=N2)C1	REAL300003090378	0	34	-2.0	-115.48	305.82	5.84	-109.64
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=NC(C3=CC=CC=N3)=N2)C1	REAL300003090379	0	40	-2.0	-120.33	334.59	8.60	-111.73
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C3C=COC3=CC=N2)C1	REAL300003090380	0	35	-2.0	-121.14	295.20	7.01	-114.13
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1	REAL300003090381	0	50	-2.0	-117.31	381.39	5.14	-112.17
CC1=CN=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1C	REAL300003090382	0	38	-2.0	-117.02	310.05	8.62	-108.40
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN3CCCCC3=N2)C1	REAL300003090384	0	40	-2.0	-122.94	320.12	9.61	-113.33
CC1=NN(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C2=NC=CC=C12	REAL300003090385	0	41	-2.0	-122.18	345.89	8.92	-113.26
CCCOC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=C(F)C=C1C	REAL300003090386	0	49	-2.0	-105.97	388.40	10.58	-95.39
CN1N=C(C2CC2)C=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090387	0	40	-2.0	-109.68	323.43	7.32	-102.36
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(CN3CCCCC3)O2)C1	REAL300003090388	1	48	-2.0	-117.03	376.28	7.63	-109.40
CN(C)C1=CC=C([C@@H]2C[C@H]2C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003090389	0	48	-2.0	-111.42	380.45	10.37	-101.05
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2COC3=C(F)C=C(F)C=C3C2)C1	REAL300003090390	0	41	-2.0	-104.89	343.20	8.45	-96.44
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(CC3CC3)S2)C1	REAL300003090391	0	40	-2.0	-112.41	339.87	9.69	-102.72
COC1=CC(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC(OC)=C1	REAL300003090392	0	44	-2.0	-112.64	359.30	8.19	-104.45
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC(C3=CC=CC=C3)=N2)C1	REAL300003090393	0	42	-2.0	-131.90	347.23	10.24	-121.66
CC1=C2NC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=CC2=CC=C1[N+](=O)[O-]	REAL300003090394	0	42	-2.0	-107.81	352.92	9.20	-98.61
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCC3=CNN=C32)C1	REAL300003090395	0	37	-2.0	-121.02	298.29	6.02	-115.00
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCC3=C2NN=C3)C1	REAL300003090395	1	37	-2.0	-107.67	293.56	6.94	-100.73
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCCCCCCCC2CC2)C1	REAL300003090396	0	54	-2.0	-107.08	422.88	12.66	-94.42
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2CCCOCC2)C1	REAL300003090397	0	43	-2.0	-105.82	323.30	7.78	-98.04
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCCC3=C2NN=C3)C1	REAL300003090398	0	40	-2.0	-104.32	321.95	7.01	-97.31
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCCC3=CNN=C32)C1	REAL300003090398	1	40	-2.0	-118.71	316.50	7.55	-111.16
COC1=C2C=CSC2=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003090399	0	40	-2.0	-115.01	337.65	9.22	-105.79
CC1(C2=CC=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=C2)CC1	REAL300003090400	0	43	-2.0	-113.80	342.09	10.07	-103.73
CC1CCN(C2=CC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=C2)C1	REAL300003090401	0	48	-2.0	-111.67	367.96	9.55	-102.12
C=CCN1C=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300003090402	0	37	-2.0	-110.74	311.11	7.75	-102.99
CC1=NOC(CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003090403	0	38	-2.0	-109.18	319.11	7.59	-101.59
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C3C(=C2)CCS3(=O)=O)C1	REAL300003090404	0	40	-2.0	-114.24	341.80	6.37	-107.87
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NOC(C3CCC3)=C2)C1	REAL300003090405	0	39	-2.0	-117.49	322.13	8.38	-109.11
CC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC(F)=CC(F)=C1	REAL300003090406	0	39	-2.0	-104.62	325.13	9.75	-94.87
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)COCC2=CC=C(C(F)(F)F)C=C2)C1	REAL300003090407	0	43	-2.0	-108.42	373.54	10.51	-97.91
CC1(C)C(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C1(C)C	REAL300003090408	0	45	-2.0	-108.47	343.28	9.25	-99.22
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=CC=C(Cl)C=C3S2)C1	REAL300003090409	0	36	-2.0	-110.24	330.34	10.51	-99.73
COC1=CC=CC(N2C=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=N2)=C1	REAL300003090410	0	44	-2.0	-133.52	363.47	8.60	-124.92
COC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC(F)=CC(F)=C1	REAL300003090411	0	40	-2.0	-104.70	339.12	8.86	-95.84
COC1=C2C=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])NC2=CC(Cl)=C1	REAL300003090412	0	41	-2.0	-109.33	353.70	8.98	-100.35
CC1(C)CC2(CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C2)C1	REAL300003090413	0	46	-2.0	-108.66	352.82	9.72	-98.94
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(C3=CC=CC=C3)C=N2)C1	REAL300003090414	0	42	-2.0	-121.71	345.58	10.08	-111.63
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN(CC3CCCO3)N=N2)C1	REAL300003090415	0	43	-2.0	-125.43	352.74	5.61	-119.82
C[C@@H]1C[C@H](C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CC(C)(C)C1	REAL300003090416	0	48	-2.0	-108.47	355.35	10.43	-98.04
COC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C(OC)=N1	REAL300003090417	0	40	-2.0	-111.52	337.25	3.45	-108.07
CC(C)CC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C(C)C	REAL300003090418	0	47	-2.0	-109.94	341.17	8.91	-101.03
CC1(C)C2CCC(C2)C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090419	0	46	-2.0	-111.76	327.10	9.18	-102.58
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NN3C=CC(C(F)(F)F)=NC3=N2)C1	REAL300003090420	0	37	-2.0	-127.56	334.78	9.70	-117.86
COCC1CCN(C2=CC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=C2)C1	REAL300003090421	0	52	-2.0	-109.91	404.51	8.72	-101.19
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C(O)CC2=CC(Cl)=CC(Cl)=C2)C1	REAL300003090422	0	40	-2.0	-103.87	360.70	8.08	-95.79
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C(O)C2=CC=CC3=C2OCC3)C1	REAL300003090423	0	42	-2.0	-114.50	342.00	6.08	-108.42
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC(O)C2CCCC2)C1	REAL300003090424	0	43	-2.0	-111.17	334.86	7.21	-103.96
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NN(CC(F)(F)F)C=C2)C1	REAL300003090425	0	36	-2.0	-130.06	318.12	7.35	-122.71
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)[C@@H]2C[C@H]2C2=CC=C(OC(F)F)C=C2)C1	REAL300003090426	0	44	-2.0	-110.97	366.76	10.47	-100.50
CC1(OCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CCCC1	REAL300003090427	0	43	-2.0	-110.38	333.93	8.91	-101.47
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=CC=CC=C3C=N2)C1	REAL300003090428	0	38	-2.0	-123.33	317.42	8.94	-114.39
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC2CC(F)(F)C2)C1	REAL300003090429	0	39	-2.0	-106.86	323.76	8.67	-98.19
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2COC3=CC(Cl)=CC=C3C2)C1	REAL300003090430	0	41	-2.0	-105.33	347.37	8.83	-96.50
CC1(C)COCC(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])O1	REAL300003090431	0	44	-2.0	-113.21	343.13	7.54	-105.67
CC1(C)CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CCO1	REAL300003090432	0	43	-2.0	-107.22	326.69	6.79	-100.43
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCCCC(F)(F)F)C1	REAL300003090433	0	38	-2.0	-107.07	323.41	8.36	-98.71
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)[C@H]2C[C@@H](OC(F)F)C2)C1	REAL300003090434	0	37	-2.0	-109.53	312.36	7.19	-102.34
CC(C)(C)C1=CC=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300003090435	0	44	-2.0	-126.17	348.78	9.13	-117.04
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC(N3C=NC=N3)=N2)C1	REAL300003090436	0	38	-2.0	-120.58	326.64	10.26	-110.32
COC1=CC=CC=C1C1=NC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300003090437	0	43	-2.0	-114.30	367.99	9.20	-105.10
CC1=NC2=C(CCCC2CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])O1	REAL300003090438	0	45	-2.0	-117.88	353.41	7.28	-110.60
COC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C2=CN=CC=C12	REAL300003090439	0	42	-2.0	-113.65	342.79	7.29	-106.36
CCCCCC1=CC=CC(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003090440	0	51	-2.0	-109.01	407.73	13.35	-95.66
CCCCC1=NC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300003090441	0	41	-2.0	-111.46	347.71	7.83	-103.63
CC(C)(C)OCC1=NC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300003090442	0	45	-2.0	-108.13	372.90	7.60	-100.53
CCC1=NC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CS1	REAL300003090443	0	35	-2.0	-121.93	304.77	6.93	-115.00
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NNC=C2C2CC2)C1	REAL300003090444	0	37	-2.0	-120.12	304.08	7.67	-112.45
COC1=CC(F)=CC(N2C=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=N2)=C1	REAL300003090445	0	44	-2.0	-126.24	369.89	8.69	-117.55
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCC3CC3CC2)C1	REAL300003090446	0	43	-2.0	-107.34	312.68	9.76	-97.58
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2CCC=CCC2)C1	REAL300003090447	0	43	-2.0	-107.10	326.23	9.30	-97.80
CC(=O)N1CSC[C@@H]1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090448	0	38	-2.0	-120.84	313.02	7.44	-113.40
CC1(C)CCC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C1	REAL300003090449	0	43	-2.0	-111.76	332.35	8.92	-102.84
CN(C)C1=C2C=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])SC2=CC=C1	REAL300003090450	0	44	-2.0	-116.30	367.98	9.49	-106.81
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2C3CC2(C2=CC=NC=C2)CC3)C1	REAL300003090451	0	46	-2.0	-113.61	356.10	9.54	-104.07
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)[C@@H]2C[C@H]2C2=CC=C(F)C=C2F)C1	REAL300003090452	0	40	-2.0	-112.02	338.94	9.91	-102.11
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C(O)C2CCCCCCC2)C1	REAL300003090453	0	49	-2.0	-108.21	343.53	7.38	-100.83
CC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C2CCCCC2=N1	REAL300003090454	0	45	-2.0	-112.11	351.68	8.79	-103.32
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C=CC2=CC=CN=C2)C1	REAL300003090455	0	36	-2.0	-114.84	304.67	7.42	-107.42
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCC(O)(C3=CC=CC=C3)C2)C1	REAL300003090456	0	47	-2.0	-111.42	363.82	7.56	-103.86
CN1N=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1C1=CC=C(F)C=C1	REAL300003090457	0	43	-2.0	-115.87	357.41	10.04	-105.83
COC1=CC=C(N2C=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])N=N2)C=C1	REAL300003090458	0	43	-2.0	-123.54	360.79	7.23	-116.31
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CN2N=NN=C2C2=CC=CC=C2)C1	REAL300003090459	0	41	-2.0	-110.58	342.82	8.19	-102.39
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(C3CC3)O2)C1	REAL300003090460	0	37	-2.0	-113.47	310.46	9.24	-104.23
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN=C(C3=CC=CC=N3)N=C2)C1	REAL300003090461	0	40	-2.0	-111.66	341.04	7.02	-104.64
COC1=CC=C(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C(C)=C1	REAL300003090462	0	43	-2.0	-108.77	346.59	9.36	-99.41
CN1N=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1C(F)F	REAL300003090463	0	36	-2.0	-117.62	311.05	6.71	-110.91
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CC2C2=CC=CC([N+](=O)[O-])=C2)C1	REAL300003090464	0	42	-2.0	-112.57	356.01	11.59	-100.98
CS(=O)(=O)C1=CC=C(CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003090465	0	45	-2.0	-117.14	382.89	6.96	-110.18
CC(C)CC1=NC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300003090466	0	41	-2.0	-111.94	342.96	7.53	-104.41
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CSC(C3CCCCC3)=C2)C1	REAL300003090467	0	46	-2.0	-111.10	368.45	11.69	-99.41
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1	REAL300003090468	0	41	-2.0	-110.26	315.22	10.19	-100.07
CC(C)(C)CC1=NC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300003090469	0	44	-2.0	-112.45	359.67	8.10	-104.35
CC1CC2CC2CC1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090470	0	43	-2.0	-110.10	322.10	8.95	-101.15
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=NOC(C3CC3)=C2)C1	REAL300003090471	0	39	-2.0	-113.72	328.15	9.34	-104.38
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C=CC2=CC=CC=C2)C1	REAL300003090472	0	37	-2.0	-112.32	309.79	9.19	-103.13
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C=CC2=CC=CC=C2Cl)C1	REAL300003090473	0	37	-2.0	-112.30	324.05	9.61	-102.69
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C=CC2=CC=CC(F)=C2)C1	REAL300003090474	0	37	-2.0	-108.54	316.20	9.25	-99.29
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C=CC2=CC=C(Br)O2)C1	REAL300003090475	0	34	-2.0	-113.51	314.11	8.10	-105.41
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C3SC=NC3=C2)C1	REAL300003090476	0	35	-2.0	-119.86	307.93	7.00	-112.86
CSC1=CC=C(CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003090477	0	43	-2.0	-108.36	362.41	10.46	-97.90
CC1=NC=C([N+](=O)[O-])N1CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090478	0	38	-2.0	-114.48	327.43	8.85	-105.63
CP(C)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003090479	0	42	-2.0	-114.54	353.92	8.14	-106.40
COC1=CC(=O)NC=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090480	0	37	-2.0	-109.17	314.27	5.14	-104.03
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(N3C=CC=C3)=CC=C2Cl)C1	REAL300003090481	0	41	-2.0	-116.56	351.60	10.88	-105.68
CCCCS(=O)(=O)CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090482	0	41	-2.0	-117.99	346.77	5.16	-112.83
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)COC2CCCCCC2)C1	REAL300003090483	0	46	-2.0	-109.83	348.18	9.59	-100.24
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1	REAL300003090484	0	43	-2.0	-109.16	320.48	9.95	-99.21
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC3=C2CCCCC3)C1	REAL300003090485	0	46	-2.0	-116.08	346.88	10.29	-105.79
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=NN(CC(F)(F)F)C=C2)C1	REAL300003090486	0	39	-2.0	-117.21	341.78	8.68	-108.53
CC1(C2=CC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=C2)CC1	REAL300003090487	0	43	-2.0	-111.33	339.61	11.05	-100.28
CC(C)CC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300003090488	0	42	-2.0	-111.22	348.04	10.39	-100.83
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC2=CC=C3OCCCC3=C2)C1	REAL300003090489	0	47	-2.0	-108.03	375.45	11.03	-97.00
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(C(=O)C3=CC=CC=C3)=CN2)C1	REAL300003090490	0	43	-2.0	-109.31	358.10	9.20	-100.11
CN1N=C(C2=CC=C(F)C=C2)C=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090491	0	43	-2.0	-108.43	357.54	8.86	-99.57
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(OC3CC3)C=C2)C1	REAL300003090492	0	41	-2.0	-111.25	334.49	9.56	-101.69
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NC=CC3=NC=NC=C32)C1	REAL300003090493	0	36	-2.0	-113.34	311.41	5.96	-107.38
COC1=C(Cl)C=CC=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090494	0	37	-2.0	-111.83	320.91	9.11	-102.72
CC(C)C1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C(C(C)C)N1	REAL300003090495	0	49	-2.0	-120.81	382.85	9.13	-111.68
CCCOC1=CC=C2NC=C(CC(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C2=C1	REAL300003090496	0	50	-2.0	-120.90	405.15	10.65	-110.25
CC1=NC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C2CCCCN12	REAL300003090497	0	43	-2.0	-125.96	337.54	9.99	-115.97
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN3CCOCC3=C2)C1	REAL300003090498	0	39	-2.0	-115.84	315.25	7.61	-108.23
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C(CC2=CC=CC=C2)C2CC2)C1	REAL300003090499	0	46	-2.0	-109.48	367.91	12.05	-97.43
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CN2N=CC=C2C2=CC=CC=C2)C1	REAL300003090500	0	43	-2.0	-115.57	352.41	9.79	-105.78
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2CCC3CC3C2)C1	REAL300003090501	0	43	-2.0	-106.94	327.10	10.31	-96.63
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CSC(C3=CC=CN=C3)=N2)C1	REAL300003090502	0	38	-2.0	-132.31	336.40	7.51	-124.80
CC(C)C1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=CN1	REAL300003090503	0	40	-2.0	-119.06	320.43	8.42	-110.64
CC1=CN=C2C(=C1)C=NN2CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090504	0	41	-2.0	-120.43	345.36	8.97	-111.46
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN(CC3CCCCO3)N=C2)C1	REAL300003090505	0	47	-2.0	-120.23	375.33	7.61	-112.62
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CSC3=C2CCCCCC3)C1	REAL300003090506	0	46	-2.0	-115.17	354.07	10.15	-105.02
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C3C=CC=CN3C=N2)C1	REAL300003090507	0	36	-2.0	-132.98	301.54	9.77	-123.21
CC1=CC=CN2N=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=C12	REAL300003090508	0	39	-2.0	-123.21	324.90	9.46	-113.75
CC1(C)CCC2=C(C1)SC=C2C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090509	0	46	-2.0	-114.52	362.83	10.08	-104.44
CC1=CC2=CC=NC=C2C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003090510	0	41	-2.0	-119.01	336.28	9.55	-109.46
CC(C)(C)OCCOCCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090511	0	49	-2.0	-109.62	386.09	7.06	-102.56
CC(C)C1CCC2=C(C=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])S2)C1	REAL300003090512	0	49	-2.0	-111.41	385.69	11.94	-99.47
CN1N=CC2=NC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=C21	REAL300003090513	0	38	-2.0	-107.75	317.20	6.52	-101.23
CCOCCOCCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090514	0	43	-2.0	-109.34	351.79	5.91	-103.43
CC1=NN(C2=CC=C(F)C=C2)C=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090515	0	43	-2.0	-109.26	365.31	10.57	-98.69
CC1(OCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CCOCC1	REAL300003090516	0	44	-2.0	-109.66	339.87	7.12	-102.54
CC1=CC=CN2C(CC(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=CN=C12	REAL300003090517	0	42	-2.0	-115.40	348.30	10.56	-104.84
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)[C@@H]2C[C@H]2C2CCCO2)C1	REAL300003090518	0	41	-2.0	-115.82	327.68	7.22	-108.60
CS(=O)(=O)C1=CC=C(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003090519	0	42	-2.0	-117.55	359.92	5.99	-111.56
CC1=C(CC(F)(F)C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C2=CC=CC=C2N1	REAL300003090520	0	46	-2.0	-112.80	380.27	9.93	-102.87
CC1=CSC(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003090521	0	36	-2.0	-106.87	312.21	9.36	-97.51
COCCOC1=CC=CC(C=CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003090522	0	48	-2.0	-114.14	394.74	8.68	-105.46
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C=CC2=CC=CC=C2N2C=CC=N2)C1	REAL300003090523	0	44	-2.0	-123.96	361.98	10.60	-113.36
CC1=CC(C(F)(F)F)=CC=C1C=CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090524	0	43	-2.0	-108.69	366.01	10.71	-97.98
CC1=CC(C=CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC=C1C(F)(F)F	REAL300003090525	0	43	-2.0	-108.72	363.98	10.65	-98.07
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C=CC2=CC=C(C3CC3)C=C2)C1	REAL300003090526	0	44	-2.0	-112.47	358.97	11.29	-101.18
CCOC1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1C	REAL300003090527	0	47	-2.0	-111.85	380.98	10.12	-101.73
CC1=CC(C=CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC=C1OC(C)C	REAL300003090528	0	50	-2.0	-112.15	398.99	10.74	-101.41
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C3COCCN3C(C3=CC=CC=C3)=N2)C1	REAL300003090529	0	48	-2.0	-127.67	382.78	10.35	-117.32
C=CCCCC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003090530	0	46	-2.0	-112.39	372.60	12.12	-100.27
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC=CC3=NSN=C32)C1	REAL300003090531	0	37	-2.0	-117.67	325.07	6.95	-110.72
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CN2CCCC3(CC3)S2(=O)=O)C1	REAL300003090532	0	45	-2.0	-110.48	366.83	6.56	-103.92
NS(=O)(=O)CCCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090533	0	37	-2.0	-116.26	319.15	1.41	-114.85
CC1=CC(C)=C2C=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])SC2=N1	REAL300003090535	0	41	-2.0	-117.00	349.67	9.31	-107.69
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C=CC2=NC=CS2)C1	REAL300003090536	0	33	-2.0	-114.86	297.42	6.52	-108.34
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C=CC2=CC=C(F)C=C2F)C1	REAL300003090537	0	37	-2.0	-108.60	321.70	9.29	-99.31
COC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1C	REAL300003090538	0	40	-2.0	-113.03	326.84	7.70	-105.33
COC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=CS1	REAL300003090539	0	34	-2.0	-118.68	296.04	7.26	-111.42
CN(C)S(=O)(=O)N1CCC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300003090540	0	49	-2.0	-112.06	390.37	4.87	-107.19
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC2=CN=CC(Br)=C2)C1	REAL300003090541	0	38	-2.0	-106.53	338.36	8.26	-98.27
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(F)=CC(OC(F)F)=C2)C1	REAL300003090542	0	37	-2.0	-109.29	320.30	8.23	-101.06
CCCCCCCCC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003090543	0	57	-2.0	-112.02	445.78	14.69	-97.33
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2C3CC2(C2=CC=CN=C2)CC3)C1	REAL300003090544	0	46	-2.0	-117.13	361.19	9.59	-107.54
COCC1(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CCCC1	REAL300003090545	0	46	-2.0	-109.84	348.66	7.75	-102.09
CC1=CN(C2=CC=CC=C2F)N=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090546	0	43	-2.0	-136.71	355.04	10.12	-126.59
CN1N=C(C2CCOCC2)C=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090547	0	47	-2.0	-107.45	374.96	7.94	-99.51
CC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=NN1C1=CC=CC=C1F	REAL300003090548	0	43	-2.0	-126.77	361.88	10.79	-115.98
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C(S(N)(=O)=O)S1	REAL300003090549	0	38	-2.0	-111.70	347.79	3.54	-108.16
CC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1OC(F)F	REAL300003090550	0	40	-2.0	-116.99	336.80	8.03	-108.96
CCC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])SC2=CC=CC=C21	REAL300003090551	0	42	-2.0	-117.46	351.01	11.41	-106.05
C[C@H](CC1CCCCC1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090552	0	48	-2.0	-110.51	354.75	10.63	-99.88
CN1N=CC2=CC(CC(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=CC=C21	REAL300003090553	0	42	-2.0	-109.61	349.70	9.56	-100.05
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CCCN1C=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C(C)=N1	REAL300003090557	0	42	-2.0	-111.98	346.81	8.80	-103.18
CCCN1N=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1C	REAL300003090558	0	42	-2.0	-111.93	344.90	8.70	-103.23
COC1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C(C)=C1	REAL300003090559	0	44	-2.0	-112.97	356.72	9.01	-103.96
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])NN=C1C(F)(F)F	REAL300003090560	0	36	-2.0	-101.91	310.92	5.80	-96.11
CC1=C(C(F)(F)F)NN=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090560	1	36	-2.0	-111.60	314.59	6.28	-105.32
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O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C3SC=CC3=NC=C2)C1	REAL300003090565	0	35	-2.0	-113.07	312.74	8.37	-104.70
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=COC3=C2COC3)C1	REAL300003090566	0	35	-2.0	-109.01	293.29	5.09	-103.92
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O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC=C(Cl)C3=CC=CN=C23)C1	REAL300003090568	0	41	-2.0	-114.08	354.80	10.53	-103.55
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CC1=CC=C2SC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])CC2=C1	REAL300003090573	0	41	-2.0	-110.26	343.65	10.85	-99.41
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC=C(C3CCC3)C=C2)C1	REAL300003090574	0	46	-2.0	-109.90	366.55	11.21	-98.69
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=NC(C3=CC=CC=C3)=N2)C1	REAL300003090575	0	41	-2.0	-123.85	339.77	9.53	-114.32
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C(C(F)(F)F)OC3=CC=CC=C32)C1	REAL300003090576	0	39	-2.0	-113.12	346.18	10.36	-102.76
CC1=CC(C2CC2)=NC=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090577	0	42	-2.0	-109.72	338.40	9.14	-100.58
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2C3CC2(C2=CC=CC=N2)CC3)C1	REAL300003090578	0	46	-2.0	-110.97	360.16	10.51	-100.46
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)[C@@H]2C[C@H]2C2=CC=NC=C2)C1	REAL300003090579	0	39	-2.0	-109.77	321.79	8.06	-101.71
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NN3C=C(Br)C=CC3=N2)C1	REAL300003090580	0	35	-2.0	-120.77	321.47	8.33	-112.44
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COCC1=NC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C(=O)N1	REAL300003090585	0	39	-2.0	-122.34	335.15	4.53	-117.81
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CN1N=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1C(F)(F)F	REAL300003090587	0	36	-2.0	-109.29	316.20	7.81	-101.48
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CN1C=CC([C@@H]2C[C@H]2C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300003090593	0	40	-2.0	-116.56	332.56	8.67	-107.89
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)COCCC2=CC=C(Cl)S2)C1	REAL300003090594	0	40	-2.0	-107.33	363.53	9.99	-97.34
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C(C3CC3)OC=N2)C1	REAL300003090595	0	36	-2.0	-116.05	301.63	6.74	-109.31
CCC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C(C)O1	REAL300003090596	0	39	-2.0	-110.78	319.09	9.10	-101.68
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CN2N=C(C(F)(F)F)C3=C2CCC3)C1	REAL300003090597	0	43	-2.0	-112.47	368.53	9.70	-102.77
CN1C=CC(C2=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=NO2)=N1	REAL300003090598	0	39	-2.0	-121.13	337.68	7.04	-114.09
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)COCCC2=CC=CS2)C1	REAL300003090599	0	40	-2.0	-108.87	346.49	9.37	-99.50
CC1=CC(Br)=CC(C)=C1CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090600	0	42	-2.0	-107.54	356.18	10.27	-97.27
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN3C=CC=C(Br)C3=N2)C1	REAL300003090601	0	36	-2.0	-130.69	325.05	9.50	-121.19
COC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1CCCOC1	REAL300003090602	0	44	-2.0	-111.49	331.15	6.24	-105.25
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)[C@@H]2[C@H]3C[C@]2(C2=CC=CC=C2)CC3)C1	REAL300003090603	0	47	-2.0	-112.13	363.20	12.09	-100.04
CN1C=CC2=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=CC=C21	REAL300003090604	0	40	-2.0	-114.04	334.96	10.36	-103.68
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C(F)C=C3OC=CC3=C2)C1	REAL300003090605	0	36	-2.0	-115.30	304.03	8.99	-106.31
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(C3=CC=C(F)C=C3)=CS2)C1	REAL300003090606	0	40	-2.0	-108.78	348.51	11.12	-97.66
CCC(C)(C)CCCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090607	0	47	-2.0	-107.38	353.24	9.39	-97.99
CC1=CC=C([C@@H]2C[C@H]2C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003090608	0	43	-2.0	-110.77	348.12	10.49	-100.28
CC1=C(C)C2=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=CC=C2N=N1	REAL300003090609	0	43	-2.0	-113.87	347.18	7.98	-105.89
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCCNS2(=O)=O)C1	REAL300003090610	0	38	-2.0	-115.70	313.86	2.77	-112.93
CC1OC2=CC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=C2C1C	REAL300003090611	0	44	-2.0	-114.33	354.98	8.87	-105.46
COC1=CC=C2C(CC(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=CNC2=C1	REAL300003090612	0	44	-2.0	-113.51	361.68	8.92	-104.59
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CN(CC3=CC=CC=C3)N=C2)C1	REAL300003090613	0	46	-2.0	-110.01	384.59	11.24	-98.77
CCCC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C(C)O1	REAL300003090614	0	42	-2.0	-112.97	341.74	8.77	-104.20
CN1C=CC2=CC=NC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=C21	REAL300003090615	0	39	-2.0	-117.00	323.55	7.50	-109.50
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)[C@@H]2CC[C@H]3C[C@@H]2CO3)C1	REAL300003090616	0	41	-2.0	-108.45	306.03	7.39	-101.06
CC(C)(C)C1=CN=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003090617	0	44	-2.0	-110.76	344.52	9.00	-101.76
CC1=C(OC(F)(F)F)C=CC=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090618	0	40	-2.0	-107.03	337.55	7.97	-99.06
CC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300003090619	0	42	-2.0	-104.18	351.06	10.61	-93.57
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCCC23CCOCC3)C1	REAL300003090620	0	47	-2.0	-111.15	338.43	8.33	-102.82
COC1=NC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1C(F)(F)F	REAL300003090621	0	39	-2.0	-104.82	340.20	5.38	-99.44
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=NC=CC=C3N=C2)C1	REAL300003090622	0	37	-2.0	-116.05	312.03	6.06	-109.99
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN(CC3CC(=O)C3)N=N2)C1	REAL300003090623	0	41	-2.0	-129.15	347.32	6.55	-122.60
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CSC3=NC=CN23)C1	REAL300003090624	0	33	-2.0	-104.70	296.44	8.28	-96.42
CC1(C2=CC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=C2)CC1(F)F	REAL300003090625	0	43	-2.0	-111.58	351.73	11.17	-100.41
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC3=CC=CN=C3C=C2)C1	REAL300003090626	0	41	-2.0	-111.38	341.47	9.94	-101.44
CSC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C(C)C	REAL300003090627	0	39	-2.0	-109.67	305.98	7.48	-102.19
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN=C(C3CCC3)NC2=O)C1	REAL300003090628	0	42	-2.0	-125.55	348.51	6.66	-118.89
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300003090628	1	41	-3.0	-197.44	345.81	6.35	-191.09
CN1N=C(C2CCC2)C=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090629	0	43	-2.0	-107.23	347.39	9.11	-98.12
CC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC(C)=N1	REAL300003090630	0	38	-2.0	-108.09	317.92	8.25	-99.84
CC1CCCN2C(CC(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=CN=C12	REAL300003090631	0	46	-2.0	-114.58	363.56	10.11	-104.47
CC1=NC2=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=CN2C(C)=C1	REAL300003090632	0	42	-2.0	-134.51	343.33	10.57	-123.94
CC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=C(F)C=C1	REAL300003090633	0	39	-2.0	-105.67	321.54	8.93	-96.74
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCCC3=NC=NN32)C1	REAL300003090634	0	39	-2.0	-114.95	314.03	7.75	-107.20
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2(O)CCCOC2)C1	REAL300003090635	0	41	-2.0	-109.57	318.45	4.87	-104.70
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=CC=C(Cl)C=C3OC2)C1	REAL300003090636	0	39	-2.0	-110.71	343.00	8.79	-101.92
CCOC1=CC=C(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])N=C1	REAL300003090637	0	42	-2.0	-112.30	345.24	8.11	-104.19
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C(O)C2=CC=C(C3CC3)C=C2)C1	REAL300003090638	0	44	-2.0	-109.16	352.52	8.40	-100.76
CC1=CN(C(C)C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])N=C1	REAL300003090639	0	39	-2.0	-110.69	317.53	7.80	-102.89
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)[C@@H]2CSC(C3=CC=CC=C3)=N2)C1	REAL300003090640	0	41	-2.0	-111.99	350.46	8.75	-103.24
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=NC=NN3C=C2)C1	REAL300003090641	0	35	-2.0	-110.18	303.66	8.30	-101.88
COC1=CC(C)=C2C=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])NC2=C1	REAL300003090642	0	44	-2.0	-112.01	361.51	8.78	-103.23
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=CC=C(Cl)C(F)=C3N2)C1	REAL300003090643	0	37	-2.0	-108.21	329.98	9.72	-98.49
CN1N=CC2=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])N=CN=C21	REAL300003090644	0	37	-2.0	-110.11	312.07	7.35	-102.76
CC1=C(Cl)C2=NC=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=C2C=C1	REAL300003090645	0	41	-2.0	-110.23	348.28	9.00	-101.23
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCOC3(CCOCC3)C2)C1	REAL300003090646	0	48	-2.0	-106.07	354.65	7.09	-98.98
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=C(SC=C3)S2)C1	REAL300003090647	0	33	-2.0	-110.80	303.65	8.99	-101.81
CC1=CC=C(Cl)C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003090648	0	36	-2.0	-112.74	312.42	8.75	-103.99
COC1=NN2C(=NN=C2CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003090649	0	44	-2.0	-116.41	371.65	6.19	-110.22
CN1N=C(C2=CC=C(Cl)C=C2)C=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090650	0	43	-2.0	-108.64	367.85	9.32	-99.32
CCC(CCOC)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090651	0	42	-2.0	-108.60	324.97	6.27	-102.33
COC1=CC(C)=C2C=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])OC2=C1	REAL300003090652	0	43	-2.0	-117.05	354.43	8.26	-108.79
CCC(CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])CC1=CC=CC=C1	REAL300003090653	0	48	-2.0	-108.95	368.06	11.02	-97.93
CCC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])N=CS1	REAL300003090654	0	35	-2.0	-121.25	298.47	7.02	-114.23
CC(C)=CCC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC=C1O	REAL300003090655	0	47	-2.0	-113.39	380.44	8.21	-105.18
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN=C3SC=CN23)C1	REAL300003090656	0	33	-2.0	-111.72	297.77	8.44	-103.28
CC1=NC=C(CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300003090657	0	38	-2.0	-108.30	328.90	7.38	-100.92
CC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=C(F)C(Cl)=C1	REAL300003090658	0	39	-2.0	-102.01	334.90	10.17	-91.84
CC1=CC=CC2=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])N=CC=C12	REAL300003090659	0	41	-2.0	-116.78	339.83	9.24	-107.54
CCCN1C=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300003090660	0	39	-2.0	-123.71	321.71	7.61	-116.10
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(F)C(OC(F)(F)F)=C2)C1	REAL300003090661	0	37	-2.0	-104.77	329.72	7.58	-97.19
CCC(C)N1N=CC=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090662	0	42	-2.0	-107.06	333.74	8.24	-98.82
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN=CC3=CC=C(F)C=C32)C1	REAL300003090663	0	38	-2.0	-122.78	317.07	8.89	-113.89
COC1=C(Br)C=CC=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090664	0	37	-2.0	-111.59	325.29	9.22	-102.37
C[C@H](CC(F)(F)F)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090665	0	35	-2.0	-108.13	289.44	6.89	-101.24
CC1=C(O)C=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1C	REAL300003090666	0	40	-2.0	-111.82	319.72	5.91	-105.91
CCC(=O)N1CSC[C@H]1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090667	0	41	-2.0	-118.12	335.92	8.19	-109.93
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)[C@@H]2C[C@@H]3[C@H](C2)C3(F)F)C1	REAL300003090668	0	37	-2.0	-106.29	300.53	8.00	-98.29
CC(C)OC1=CC=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1Cl	REAL300003090669	0	43	-2.0	-112.95	360.45	9.02	-103.93
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C3C=C(C4=CC=CC=C4)NC3=C2)C1	REAL300003090670	0	47	-2.0	-115.40	383.01	12.19	-103.21
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=C(CCCC3)O2)C1	REAL300003090671	0	40	-2.0	-114.99	320.60	8.62	-106.37
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(C3=CNN=C3)C=C2)C1	REAL300003090672	0	40	-2.0	-114.36	330.23	8.55	-105.81
CC1=CC(F)=CC=C1C(O)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090673	0	40	-2.0	-103.40	328.97	6.72	-96.68
COCC1=NOC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003090674	0	36	-2.0	-111.22	307.70	4.97	-106.25
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C(F)(F)C2=CC=CN=C2)C1	REAL300003090675	0	35	-2.0	-106.59	301.90	7.61	-98.98
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CC3(C2)CCOC3)C1	REAL300003090676	0	41	-2.0	-107.22	320.97	7.66	-99.56
COCC1(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CCOCC1	REAL300003090677	0	47	-2.0	-108.19	350.49	5.79	-102.40
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C3CCCC3=N2)C1	REAL300003090678	0	39	-2.0	-125.02	316.79	8.55	-116.47
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(OC3=CC=CC=N3)C=C2)C1	REAL300003090679	0	43	-2.0	-115.17	361.44	7.99	-107.18
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=COC3=C2CCCC3)C1	REAL300003090680	0	40	-2.0	-114.59	318.07	9.44	-105.15
CC(C)(C)C1=NOC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003090681	0	41	-2.0	-113.06	335.36	7.72	-105.34
CCC1(CC)CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C1	REAL300003090682	0	45	-2.0	-108.24	340.46	9.89	-98.35
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=C(C=C2Cl)OCO3)C1	REAL300003090683	0	36	-2.0	-108.61	310.69	7.65	-100.96
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN=CC3=C(C(F)(F)F)C=CC=C23)C1	REAL300003090684	0	41	-2.0	-108.91	355.22	10.10	-98.81
CC(C)C1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])N=C2CCCCN21	REAL300003090685	0	49	-2.0	-126.59	368.90	10.80	-115.79
CC1=NC2=NC=NN2C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003090686	0	37	-2.0	-111.84	309.70	10.76	-101.08
CC1(C)[C@@H]2C[C@@H](C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C[C@@H]21	REAL300003090687	0	43	-2.0	-109.00	323.55	8.92	-100.08
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)[C@@H]2C[C@H]2C2=CC=CC=N2)C1	REAL300003090688	0	39	-2.0	-117.61	324.03	8.15	-109.46
CC1=CC(C2CCC2)=NC=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090689	0	45	-2.0	-109.92	355.87	9.65	-100.27
COC1=CC=CC2=C1CC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])CO2	REAL300003090690	0	45	-2.0	-110.93	357.48	8.58	-102.35
CC(C)[C@@H]1C[C@H](CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C2=CC=CC=C21	REAL300003090691	0	52	-2.0	-108.40	394.45	12.67	-95.73
CC1=C2C=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])NC2=CC=C1F	REAL300003090692	0	40	-2.0	-106.57	333.45	9.84	-96.73
COC1=CC=NC=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090693	0	36	-2.0	-116.90	294.13	6.45	-110.45
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NN3CCNC(=O)C3=C2)C1	REAL300003090694	0	38	-2.0	-119.00	317.72	4.56	-114.44
CC1=CC2=NC=CN=C2C=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090695	0	40	-2.0	-119.38	328.96	6.55	-112.83
CC1=C2C=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])NC2=CC=C1Cl	REAL300003090696	0	40	-2.0	-106.87	342.14	10.24	-96.63
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NN(C3=CC=C(F)C=C3)C(=O)CC2)C1	REAL300003090697	0	44	-2.0	-102.41	364.33	9.41	-93.00
CC1=CC=C(N2N=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])CCC2=O)C=C1	REAL300003090698	0	47	-2.0	-106.20	379.34	10.03	-96.17
CC1=C(C)OC(CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300003090699	0	41	-2.0	-110.99	340.76	5.57	-105.42
COCCOCCN1C=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300003090700	0	47	-2.0	-122.87	389.36	6.12	-116.75
COCCOCCN1N=CC=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090701	0	47	-2.0	-111.90	384.28	6.23	-105.67
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(CCC3=CC=CC=C3)C=C2)C1	REAL300003090702	0	49	-2.0	-112.85	398.19	13.80	-99.05
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(C3=CSC=C3)N=C2)C1	REAL300003090703	0	39	-2.0	-112.40	335.52	9.28	-103.12
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C[C@@H]2CCC[C@H](C3CC3)O2)C1	REAL300003090704	0	47	-2.0	-115.12	365.01	10.63	-104.49
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C(CC2CCCCC2)C2=CC=CC=C2)C1	REAL300003090705	0	55	-2.0	-110.48	415.05	12.73	-97.75
CC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C(C)C1=CC=CC=C1Cl	REAL300003090706	0	45	-2.0	-115.44	358.98	10.39	-105.05
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(CC3CCC3)C=C2)C1	REAL300003090707	0	46	-2.0	-112.46	365.02	12.08	-100.38
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C=CC2=CC3=CC=CN=C3C=C2)C1	REAL300003090708	0	42	-2.0	-116.08	350.93	9.56	-106.52
CC1(C)CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CC(C)(C)O1	REAL300003090709	0	49	-2.0	-106.42	363.69	9.12	-97.30
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC(O)=CC(Br)=C2)C1	REAL300003090710	0	37	-2.0	-108.91	333.12	6.39	-102.52
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCCCC2=CC=CC(O)=C2)C1	REAL300003090711	0	46	-2.0	-108.28	375.72	9.10	-99.18
CC1=NC=C(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300003090712	0	35	-2.0	-107.75	307.05	7.55	-100.20
CCC1=NC=C(Cl)C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300003090713	0	37	-2.0	-114.17	322.42	7.59	-106.58
CC1=CC2=C(C=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])N2)S1	REAL300003090714	0	37	-2.0	-110.22	319.59	9.06	-101.16
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=COC3=C2CSC3)C1	REAL300003090715	0	35	-2.0	-108.03	303.48	7.26	-100.77
CC(CC1=CC=C(C(C)(C)C)C=C1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090716	0	54	-2.0	-112.38	409.05	11.91	-100.47
CN1N=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1C1=CC=C(Cl)C=C1	REAL300003090717	0	43	-2.0	-115.72	367.72	10.49	-105.23
CC1=CC=C2OC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C2=C1	REAL300003090718	0	39	-2.0	-113.47	325.33	8.68	-104.79
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C3SCCCC3=C2)C1	REAL300003090719	0	41	-2.0	-110.93	340.17	10.92	-100.01
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C3SCCCCC3=C2)C1	REAL300003090720	0	44	-2.0	-109.59	354.12	11.44	-98.15
CC(C)=CCC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC=C1F	REAL300003090721	0	46	-2.0	-108.58	374.20	12.01	-96.57
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=C(C=C(Cl)S3)N2)C1	REAL300003090722	0	34	-2.0	-105.10	314.81	8.86	-96.24
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=NC(C3=CC=CN=C3)=N2)C1	REAL300003090723	0	40	-2.0	-126.30	332.60	7.71	-118.59
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC3=CC=CC=C3N=C2)C1	REAL300003090724	0	41	-2.0	-112.73	341.98	8.98	-103.75
CC1=CC=C2C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=COC2=C1	REAL300003090725	0	39	-2.0	-115.16	323.85	9.83	-105.33
CC(C)(C)C1=NN(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])N=N1	REAL300003090726	0	43	-2.0	-109.35	354.85	6.22	-103.13
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=C(C=CS3)N2CC2CC2)C1	REAL300003090727	0	44	-2.0	-114.10	377.31	11.92	-102.18
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(C3=CC=CC(Cl)=C3)C=C2)C1	REAL300003090728	0	43	-2.0	-112.37	367.68	11.62	-100.75
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NN(C3CC3(F)F)C=C2)C1	REAL300003090729	0	37	-2.0	-128.35	321.29	7.71	-120.64
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2C3CC2(C2=CC=C(F)C=C2)CC3)C1	REAL300003090730	0	47	-2.0	-111.75	367.41	12.04	-99.71
CCC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1Br	REAL300003090731	0	39	-2.0	-109.62	332.12	10.43	-99.19
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(=O)NC(C3=CC=CC=C3)=C2)C1	REAL300003090732	0	43	-2.0	-112.47	353.87	9.08	-103.39
COCC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])OC=C1	REAL300003090733	0	37	-2.0	-113.01	310.63	5.79	-107.22
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=COC3=CC(F)=CC(F)=C23)C1	REAL300003090734	0	36	-2.0	-112.70	312.06	9.16	-103.54
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN(CCCF)N=N2)C1	REAL300003090735	0	38	-2.0	-126.02	324.75	6.30	-119.72
CCN1C=C(OC2=CN=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=N2)C=N1	REAL300003090736	0	45	-2.0	-113.86	374.41	7.18	-106.68
CN1N=CC2=C1SC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])=C2	REAL300003090737	0	36	-2.0	-109.57	316.27	7.81	-101.76
COC1=CC=CC=C1N1C=NC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003090738	0	44	-2.0	-121.34	363.75	11.04	-110.30
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN=C(C3CCOCC3)N=C2)C1	REAL300003090739	0	45	-2.0	-105.77	359.82	7.27	-98.50
CC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC(Br)=C1C	REAL300003090740	0	39	-2.0	-109.46	334.49	10.46	-99.00
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CC3C=CCC(C3)C2)C1	REAL300003090741	0	44	-2.0	-108.27	327.99	10.25	-98.02
COC1=CN=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003090742	0	36	-2.0	-110.40	297.57	5.98	-104.42
CC(C)CC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=NN1C1=CC=CC=C1	REAL300003090743	0	52	-2.0	-126.74	409.97	11.58	-115.16
CC1CCN(C2=CC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=C2)CC1	REAL300003090744	0	51	-2.0	-111.43	386.73	10.44	-100.99
COC1=CC=C(C(C)C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1F	REAL300003090747	0	43	-2.0	-105.58	348.02	8.99	-96.59
COC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1CC(F)(F)C1	REAL300003090748	0	40	-2.0	-107.64	327.98	7.85	-99.79
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)COC2CCCOC2)C1	REAL300003090749	0	41	-2.0	-108.58	328.33	6.27	-102.31
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)COCC2=NC(C3CC3)=NO2)C1	REAL300003090750	0	42	-2.0	-112.43	358.39	6.20	-106.23
CN1CCC2=CC(CC(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=CC=C21	REAL300003090751	0	45	-2.0	-110.85	359.28	9.38	-101.47
CC(C)(C)C1(C)CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C1	REAL300003090752	0	48	-2.0	-109.95	353.46	9.33	-100.62
CC1=CC(CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=NN1C	REAL300003090753	0	42	-2.0	-115.54	344.49	7.58	-107.96
CCS(=O)(=O)NC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003090754	0	44	-2.0	-115.53	368.92	6.20	-109.33
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C(O)C2=CC=C(C(F)(F)F)C=C2)C1	REAL300003090755	0	40	-2.0	-103.59	341.20	7.33	-96.26
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C(O)C2=CC=CC=C2C(F)(F)F)C1	REAL300003090756	0	40	-2.0	-115.39	337.87	6.08	-109.31
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C(O)C2=CC=C(Cl)C(Cl)=C2)C1	REAL300003090757	0	37	-2.0	-100.94	333.98	7.56	-93.38
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(C3=CC=CN=C3)=NO2)C1	REAL300003090758	0	38	-2.0	-112.34	327.01	6.94	-105.40
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C(O)C2CCCCCC2)C1	REAL300003090759	0	46	-2.0	-108.39	336.77	6.93	-101.46
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C(O)C2=CC(F)=CC(F)=C2)C1	REAL300003090760	0	37	-2.0	-101.85	316.12	6.89	-94.96
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC(C2=CC=CC=C2)C(F)F)C1	REAL300003090761	0	42	-2.0	-104.30	344.15	10.63	-93.67
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C3CCOCC3=C2)C1	REAL300003090762	0	41	-2.0	-112.44	331.74	8.77	-103.67
CCOCC1=NC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CS1	REAL300003090763	0	39	-2.0	-119.60	337.72	7.13	-112.47
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])N=NN1C1CCOC1	REAL300003090764	0	43	-2.0	-122.84	346.28	5.26	-117.58
CC1=NN=C(CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])N1C	REAL300003090765	0	41	-2.0	-112.65	337.59	8.26	-104.39
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCC3=NN=NN3C2)C1	REAL300003090766	0	38	-2.0	-102.49	308.18	6.40	-96.09
CC1=C2C=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])NC2=CC(Cl)=C1	REAL300003090767	0	40	-2.0	-107.35	348.86	9.99	-97.36
CC1=C(C)NC(CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300003090768	0	42	-2.0	-114.59	343.24	7.23	-107.36
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CN2N=NN=C2C2CC2)C1	REAL300003090769	0	38	-2.0	-109.68	322.76	7.43	-102.25
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2(N3C=NN=N3)CCSCC2)C1	REAL300003090770	0	45	-2.0	-99.62	353.50	8.72	-90.90
NC(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1Cl	REAL300003090771	0	37	-2.0	-109.48	324.52	5.01	-104.47
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C=CC2=NC3=CC=CC=C3N=C2)C1	REAL300003090772	0	41	-2.0	-117.89	348.58	7.87	-110.02
COC1=NC2=CC=CC=C2C=C1C=CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090773	0	46	-2.0	-113.13	381.97	8.11	-105.02
CC1=CC=C(C(=O)C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003090774	0	38	-2.0	-114.47	324.39	8.34	-106.13
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C(=O)C2=CC=C(Cl)C=C2)C1	REAL300003090775	0	35	-2.0	-109.68	319.71	8.18	-101.50
CCC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C2C(=N1)ON=C2C(C)C	REAL300003090776	0	49	-2.0	-100.50	395.89	8.23	-92.27
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C=CC2=CC=NC=N2)C1	REAL300003090777	0	35	-2.0	-113.80	302.19	7.46	-106.34
CC(C)C1=NC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CO1	REAL300003090778	0	38	-2.0	-119.14	317.29	5.58	-113.56
CCC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1CCOCC1	REAL300003090779	0	46	-2.0	-103.53	337.77	7.23	-96.30
CC(C)(C)OC1CC(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C12CCC2	REAL300003090780	0	56	-2.0	-111.01	423.11	10.50	-100.51
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=COC3=C(F)C=C(F)C=C23)C1	REAL300003090781	0	36	-2.0	-106.12	316.77	8.14	-97.98
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CSC(CC(F)(F)F)=N2)C1	REAL300003090782	0	35	-2.0	-122.48	323.78	7.32	-115.16
CCC1=CC=CC2=CC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])N=C21	REAL300003090783	0	44	-2.0	-125.56	350.39	10.08	-115.48
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(C3(C(F)(F)F)CC3)C=C2)C1	REAL300003090784	0	43	-2.0	-112.12	360.42	11.49	-100.63
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN(C3=NC(C4CC4)=NS3)C=N2)C1	REAL300003090785	0	42	-2.0	-110.97	367.99	11.75	-99.22
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C(F)CC2CCCC2)C1	REAL300003090786	0	42	-2.0	-104.56	331.33	9.01	-95.55
CC1(C)CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C1C(F)(F)F	REAL300003090787	0	42	-2.0	-108.47	319.40	9.02	-99.45
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CC3(C2)CCCO3)C1	REAL300003090788	0	41	-2.0	-111.86	322.76	7.88	-103.98
C[C@@H](CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300003090789	0	45	-2.0	-103.30	373.18	11.66	-91.64
C[C@@H](CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=C2OCOC2=C1	REAL300003090790	0	45	-2.0	-108.40	361.49	9.36	-99.04
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2CCCC3(CCC3)O2)C1	REAL300003090791	0	47	-2.0	-115.74	359.91	10.01	-105.73
COC1C[C@@H]2CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C[C@H]12	REAL300003090792	0	44	-2.0	-110.63	337.00	7.38	-103.25
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2COCCN2CC(F)(F)F)C1	REAL300003090793	0	45	-2.0	-104.18	358.09	5.81	-98.37
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)[C@H]2CCC3=CC=CC=C32)C1	REAL300003090794	0	40	-2.0	-111.38	321.08	10.47	-100.91
CC1(C)C2CCC1(CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])CC2	REAL300003090795	0	49	-2.0	-111.14	352.34	9.75	-101.39
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CN2C=C(C3CCOC3)C=N2)C1	REAL300003090796	0	44	-2.0	-112.21	357.48	7.59	-104.62
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C3C=CN=C3NC=C2)C1	REAL300003090797	0	36	-2.0	-125.65	307.07	8.27	-117.38
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C3C=CNC3=NC=C2)C1	REAL300003090797	1	36	-2.0	-116.49	307.33	8.15	-108.34
CC1=CC2=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=CC=C2O1	REAL300003090798	0	39	-2.0	-117.67	321.23	9.73	-107.94
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCC3(CCC3)CC2)C1	REAL300003090799	0	46	-2.0	-108.89	345.83	10.67	-98.22
CCC1=CC2=C(OCC2)C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003090800	0	44	-2.0	-120.73	353.69	8.74	-111.99
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C3C=CSC3=CC=C2)C1	REAL300003090801	0	36	-2.0	-114.99	306.87	9.86	-105.13
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(CN3C=C(Cl)C=N3)C=C2)C1	REAL300003090802	0	43	-2.0	-115.36	374.75	10.72	-104.64
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(C(F)(F)F)=CS2)C1	REAL300003090803	0	33	-2.0	-103.96	305.92	8.59	-95.37
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC(OCC3CC3)=C2)C1	REAL300003090804	0	44	-2.0	-113.15	358.76	9.47	-103.68
CSC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C(Cl)=C1	REAL300003090805	0	37	-2.0	-110.55	324.83	10.02	-100.53
CC(F)(F)C1=CC=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003090806	0	39	-2.0	-112.03	330.55	9.17	-102.86
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C3C=CSC3=C2)C1	REAL300003090807	0	36	-2.0	-117.94	314.51	9.09	-108.85
CC1=NC=C2CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])CCC2=N1	REAL300003090808	0	44	-2.0	-105.74	350.02	9.02	-96.72
CC1=C(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C(C(F)(F)F)=CO1	REAL300003090809	0	39	-2.0	-113.87	340.62	8.36	-105.51
COC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC(C)=N1	REAL300003090810	0	39	-2.0	-108.71	323.23	5.96	-102.75
CC1=CN(CC2=CC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=C2)N=C1	REAL300003090811	0	46	-2.0	-116.05	379.56	10.89	-105.16
CCC1=NC=C2CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])CCC2=N1	REAL300003090812	0	47	-2.0	-105.77	371.50	9.63	-96.14
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC2=CC=C(Br)S2)C1	REAL300003090813	0	36	-2.0	-106.51	334.08	9.25	-97.26
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2COCCO2)C1	REAL300003090814	0	38	-2.0	-111.42	305.85	6.16	-105.26
COCCC(C)(C)CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090815	0	45	-2.0	-107.74	341.38	7.07	-100.67
CC(C)(CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C(C)(F)F	REAL300003090816	0	41	-2.0	-109.11	317.23	8.08	-101.03
CC1=CC2=C(C=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])N2CC2CC2)S1	REAL300003090817	0	47	-2.0	-114.48	399.18	12.72	-101.76
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC=CBr)C1	REAL300003090818	0	33	-2.0	-105.35	296.57	7.69	-97.66
CN1C=CC(C23CC(CC2)C3C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300003090819	0	47	-2.0	-117.40	369.96	9.73	-107.67
CC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C(C)C=N1	REAL300003090820	0	38	-2.0	-108.28	311.45	7.93	-100.35
CC1=CC(F)=CC(C(C)C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003090821	0	42	-2.0	-111.16	339.36	10.41	-100.75
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC(C2=CC=CC=C2F)C(F)F)C1	REAL300003090822	0	42	-2.0	-109.18	349.35	9.94	-99.24
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCCC3=CC=NN32)C1	REAL300003090823	0	40	-2.0	-116.01	313.28	8.57	-107.44
COC1=CN=C(C(F)(F)F)C=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090824	0	39	-2.0	-111.38	339.54	6.16	-105.22
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC(C3CC3(F)F)=C2)C1	REAL300003090825	0	40	-2.0	-111.98	335.81	9.78	-102.20
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN=C3CCCC3=C2)C1	REAL300003090826	0	39	-2.0	-107.95	321.71	8.69	-99.26
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)COC2=CC=CC=C2C(F)F)C1	REAL300003090827	0	40	-2.0	-110.69	339.85	9.58	-101.11
CCOC1=C2C=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])SC2=NC=C1	REAL300003090828	0	42	-2.0	-117.75	359.90	8.37	-109.38
CC1(C)CCOC1CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090829	0	43	-2.0	-112.31	329.91	7.42	-104.89
CC1=NC(C2CC2)=NC=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090830	0	41	-2.0	-105.28	337.42	8.57	-96.71
CCC1=NC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C(C)=N1	REAL300003090831	0	40	-2.0	-105.00	328.23	7.60	-97.40
CC1=NC(C2CCOCC2)=NC=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090832	0	48	-2.0	-105.93	380.63	7.71	-98.22
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CC3CC2C2C3C2(F)F)C1	REAL300003090833	0	41	-2.0	-113.11	318.91	8.89	-104.22
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2C3CC2(C2=CN=CS2)CC3)C1	REAL300003090834	0	43	-2.0	-107.21	346.02	9.33	-97.88
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCC3(CC2)COCCO3)C1	REAL300003090835	0	48	-2.0	-111.54	356.69	7.87	-103.67
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)[C@@H]2[C@H]3C[C@]2(C2=CC=CS2)CC3)C1	REAL300003090836	0	44	-2.0	-114.14	359.11	10.58	-103.56
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NN3CCNS(=O)(=O)C3=C2)C1	REAL300003090837	0	39	-2.0	-121.70	334.09	2.28	-119.42
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)C1	REAL300003090838	0	40	-2.0	-109.58	314.26	8.55	-101.03
CC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=NC(C)=N1	REAL300003090839	0	37	-2.0	-116.42	309.78	7.06	-109.36
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NNC3=CC=C(F)C=C32)C1	REAL300003090840	0	36	-2.0	-118.31	308.43	7.87	-110.44
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C3C=C(F)C=CC3=NN2)C1	REAL300003090840	1	36	-2.0	-106.27	307.49	6.55	-99.72
CCC1=NN(C)C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1Cl	REAL300003090841	0	39	-2.0	-107.24	342.11	8.25	-98.99
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CSC2=CC=CC(F)=C2)C1	REAL300003090842	0	37	-2.0	-105.40	325.76	9.22	-96.18
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=C(C=C(Br)O3)N2)C1	REAL300003090843	0	34	-2.0	-105.63	312.78	7.72	-97.91
CC1=CC(C)=C2NC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=CC2=C1	REAL300003090844	0	43	-2.0	-111.38	353.97	10.15	-101.23
CC1=NC2=C(NC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=C2)S1	REAL300003090845	0	36	-2.0	-111.10	319.38	6.76	-104.34
CC1(C)OCC2=C1NN=C2C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090846	0	41	-2.0	-116.91	333.76	5.23	-111.68
CC1(C)OCC2=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])NN=C21	REAL300003090846	1	41	-2.0	-109.14	336.55	4.69	-104.45
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C=CC2=CN=CC=N2)C1	REAL300003090847	0	35	-2.0	-113.91	302.06	5.80	-108.11
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(C3CCOCC3)=NN2)C1	REAL300003090848	0	44	-2.0	-106.85	351.70	6.85	-100.00
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN(C3CCCC3)N=C2)C1	REAL300003090849	0	43	-2.0	-110.68	339.68	8.98	-101.70
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NOC3=C2CC(F)(F)CC3)C1	REAL300003090850	0	39	-2.0	-118.88	325.62	8.29	-110.59
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCN2C=CC3=CC=CN=C32)C1	REAL300003090851	0	42	-2.0	-112.13	349.92	9.80	-102.33
CCCC1=NC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CS1	REAL300003090852	0	38	-2.0	-118.07	325.18	8.66	-109.41
CC1=NN(C)C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1Cl	REAL300003090853	0	36	-2.0	-106.54	319.62	6.43	-100.11
CC(C)(C)C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])N1	REAL300003090854	0	43	-2.0	-110.98	343.23	9.36	-101.62
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CC(C)(C)C1=NC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CN1	REAL300003090856	0	42	-2.0	-127.90	339.31	7.63	-120.27
CC(C)(C)C1=NC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])N1	REAL300003090856	1	42	-2.0	-105.21	336.75	7.29	-97.92
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)[C@@H]2CCC3=CC=CC=C32)C1	REAL300003090857	0	40	-2.0	-111.52	320.68	10.28	-101.24
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C3CCOC3=C2)C1	REAL300003090858	0	38	-2.0	-109.94	317.17	8.44	-101.50
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2C[C@@H]3COC[C@H]23)C1	REAL300003090859	0	41	-2.0	-110.75	322.74	7.02	-103.73
CC1=CC=C2C(=C1)C=CN2CCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090860	0	46	-2.0	-108.44	376.37	11.30	-97.14
COC1=CC=C(C(C)=CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003090861	0	44	-2.0	-109.09	358.40	10.09	-99.00
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CSC2=CC=CC(Cl)=C2)C1	REAL300003090862	0	37	-2.0	-105.47	336.08	9.66	-95.81
COCC1=CN=C(OC)C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003090863	0	43	-2.0	-117.10	357.01	4.13	-112.97
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CN2N=NC(C3CC3)=N2)C1	REAL300003090864	0	38	-2.0	-110.77	324.08	7.10	-103.67
COC1=CC2=C(OCC2)C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003090865	0	42	-2.0	-118.83	330.54	6.46	-112.37
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300003090866	0	33	-3.0	-188.96	320.16	8.99	-179.97
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])NC2=CC=C(F)C=C12	REAL300003090867	0	40	-2.0	-108.46	339.75	9.44	-99.02
CC(=CC1=CC=C(F)C(F)=C1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090868	0	40	-2.0	-114.45	340.31	9.63	-104.82
C[C@H](C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=C2OCOC2=C1	REAL300003090869	0	42	-2.0	-105.80	337.26	8.25	-97.55
CS(=O)(=O)N1CCC(OCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300003090870	0	48	-2.0	-112.84	391.64	5.57	-107.27
CC1=CN(C2=CC=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=C2)N=C1	REAL300003090871	0	43	-2.0	-121.39	353.47	10.43	-110.96
CC(CC1=CC=C(F)C(F)=C1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090872	0	42	-2.0	-105.23	350.64	9.89	-95.34
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC3=CC(F)=CC=C32)C1	REAL300003090873	0	39	-2.0	-114.38	327.06	10.90	-103.48
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN=C3OC=CC3=C2)C1	REAL300003090874	0	35	-2.0	-111.95	295.35	5.78	-106.17
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC2=CSC(Br)=C2)C1	REAL300003090875	0	36	-2.0	-103.53	333.40	10.06	-93.47
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=NN2C2CC2(F)F)C1	REAL300003090876	0	37	-2.0	-105.41	322.22	8.52	-96.89
CCC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C(CC2=CC=CC=C2)N1	REAL300003090877	0	50	-2.0	-123.65	403.71	11.05	-112.60
CC(C)(C)O[C@H]1C[C@@H](C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C1	REAL300003090878	0	46	-2.0	-111.59	357.44	8.96	-102.63
CCC(CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1CCC1	REAL300003090879	0	45	-2.0	-108.36	338.03	9.55	-98.81
CCOC1=CC=C2NC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=C(C)C2=C1	REAL300003090880	0	47	-2.0	-112.15	384.74	9.59	-102.56
CCC1=CC=C2NC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=C(C)C2=C1	REAL300003090881	0	46	-2.0	-110.97	367.32	11.19	-99.78
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])NC2=CC(C)=CC(C)=C21	REAL300003090882	0	46	-2.0	-113.05	368.71	10.54	-102.51
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])NC2=CC=C(C(C)C)C=C21	REAL300003090883	0	49	-2.0	-111.90	393.37	11.28	-100.62
CC1=NC=CC=C1C=CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090884	0	39	-2.0	-110.99	322.50	7.92	-103.07
CC1=CN=CC=C1C=CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090885	0	39	-2.0	-110.61	322.66	7.94	-102.67
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C=CC2=CC=NC3=CC=CC=C23)C1	REAL300003090886	0	42	-2.0	-111.06	348.42	9.44	-101.62
CC(=CC1=CC=C(F)C(F)=C1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090887	0	40	-2.0	-114.45	340.31	9.63	-104.82
NS(=O)(=O)C1CCC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300003090889	0	44	-2.0	-121.57	344.11	3.53	-118.04
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(C3=CC=CC=C3F)=NO2)C1	REAL300003090890	0	39	-2.0	-119.24	336.53	8.85	-110.39
COC1=CSC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1OC	REAL300003090891	0	38	-2.0	-112.88	330.38	5.68	-107.20
CSC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC(Cl)=C1	REAL300003090892	0	40	-2.0	-106.33	355.41	10.78	-95.55
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CC3CCC(C3)C2)C1	REAL300003090893	0	43	-2.0	-104.54	300.46	8.72	-95.82
CC1=CC2=NC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=C2C=C1	REAL300003090894	0	41	-2.0	-110.79	338.81	8.69	-102.10
COC1=C(F)C=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1F	REAL300003090895	0	37	-2.0	-105.27	319.34	7.09	-98.18
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN=CC(C3=COC=C3)=C2)C1	REAL300003090896	0	39	-2.0	-111.16	327.19	8.30	-102.86
CC1=CC=C(C)C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300003090897	0	38	-2.0	-111.30	314.14	7.96	-103.34
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)[C@H]2C[C@H](N3C=CN=N3)C2)C1	REAL300003090898	0	39	-2.0	-103.74	316.30	7.10	-96.64
CCCC1=CC=C(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003090899	0	45	-2.0	-109.69	363.61	10.69	-99.00
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(C3=CC=CC=C3F)=NN2)C1	REAL300003090900	0	40	-2.0	-110.43	338.48	9.15	-101.28
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NNC(C3=CC=CC=C3F)=C2)C1	REAL300003090900	1	40	-2.0	-121.23	342.46	8.19	-113.04
CC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C(C)C1=CC=C(F)C=C1	REAL300003090901	0	45	-2.0	-104.73	360.35	10.93	-93.80
C=CC1(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CCOCC1	REAL300003090902	0	44	-2.0	-109.39	327.84	6.95	-102.44
CCCCC1=NC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CS1	REAL300003090903	0	41	-2.0	-118.58	346.68	9.44	-109.14
CN1C=CC(N2C=NC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=C2)=N1	REAL300003090904	0	40	-2.0	-129.06	341.08	9.76	-119.30
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C3C=CNC3=CN=C2)C1	REAL300003090905	0	36	-2.0	-121.97	297.89	6.63	-115.34
CC(=CC1=CC=C(F)C=C1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090906	0	40	-2.0	-106.44	332.66	10.68	-95.76
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])NC2=CC=C(C(F)(F)F)C=C12	REAL300003090907	0	43	-2.0	-107.71	371.94	10.37	-97.34
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])NC2=C(C)C=CC=C12	REAL300003090908	0	43	-2.0	-112.01	346.60	10.43	-101.58
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C(C2=CC=CC=C2)N1	REAL300003090909	0	44	-2.0	-121.85	357.68	9.55	-112.30
CCC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C(C2=CC=CC=C2)N1	REAL300003090910	0	47	-2.0	-122.50	378.13	10.26	-112.24
CCCC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])N1	REAL300003090911	0	40	-2.0	-111.08	326.38	9.10	-101.98
CCC1=CN2C(=N1)C=CC=C2C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090912	0	42	-2.0	-109.59	349.65	10.27	-99.32
CC1(C)CC(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CC(C)(C)O1	REAL300003090913	0	52	-2.0	-107.40	386.50	10.01	-97.39
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2CCN3C=NC=C3C2)C1	REAL300003090914	0	43	-2.0	-113.36	338.92	10.46	-102.90
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCCCCN2C=NN=N2)C1	REAL300003090915	0	43	-2.0	-116.00	356.22	8.16	-107.84
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C(CC(F)(F)F)C2=CC=CC=C2)C1	REAL300003090916	0	42	-2.0	-103.22	352.43	10.88	-92.34
CN1N=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C2=CC(F)=CC=C21	REAL300003090917	0	39	-2.0	-127.83	331.89	8.25	-119.58
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=COC3=C2CS(=O)(=O)C3)C1	REAL300003090918	0	37	-2.0	-115.34	322.52	3.55	-111.79
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(C3CCOC3)C=C2)C1	REAL300003090919	0	44	-2.0	-110.77	347.89	9.17	-101.60
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN=CC3=C2CCCC3)C1	REAL300003090920	0	42	-2.0	-115.71	330.36	8.01	-107.70
CC1=CC=CN2N=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=C12	REAL300003090921	0	39	-2.0	-117.35	317.59	8.55	-108.80
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN=CC(C3=CC=CC=C3F)=C2)C1	REAL300003090922	0	42	-2.0	-116.84	358.10	9.60	-107.24
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])NC2=CC(C)=CC=C21	REAL300003090923	0	43	-2.0	-112.25	354.72	10.03	-102.22
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])NC2=CC=C([N+](=O)[O-])C=C21	REAL300003090924	0	42	-2.0	-106.63	361.42	10.04	-96.59
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])NC2=CC(Cl)=CC=C12	REAL300003090925	0	40	-2.0	-108.25	350.06	9.87	-98.38
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])NC2=CC(F)=CC=C12	REAL300003090926	0	40	-2.0	-108.01	330.88	9.81	-98.20
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC3=CN=NN32)C1	REAL300003090927	0	35	-2.0	-122.29	302.30	7.24	-115.05
CC1=C2N=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=CN2N=C1	REAL300003090928	0	38	-2.0	-112.02	320.43	8.78	-103.24
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C3SN=CC3=CC=C2)C1	REAL300003090929	0	35	-2.0	-119.74	303.89	8.75	-110.99
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C3SC=CC3=C(F)C=C2)C1	REAL300003090930	0	36	-2.0	-111.87	324.08	10.26	-101.61
CC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1C1=CC=CC=C1	REAL300003090931	0	46	-2.0	-111.45	378.26	12.73	-98.72
CC1=CC=C(C2=CC=CC=C2)C=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090932	0	46	-2.0	-115.73	367.68	12.36	-103.37
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=COC3=C(Br)C=CC=C23)C1	REAL300003090933	0	36	-2.0	-108.98	323.69	8.56	-100.42
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NNC3=C2C[C@H]2C[C@@H]32)C1	REAL300003090934	0	38	-2.0	-118.09	309.69	8.14	-109.95
COC1=CC(OC)=C(Cl)C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003090935	0	41	-2.0	-116.44	342.76	7.62	-108.82
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCCC3=C2N=CS3)C1	REAL300003090936	0	39	-2.0	-119.01	315.85	8.03	-110.98
CC1=CC=CN=C1C=CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090937	0	39	-2.0	-118.15	324.81	8.18	-109.97
CCC1=CSC=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090938	0	36	-2.0	-111.81	305.06	7.89	-103.92
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(CC3=CC=CC=C3)C=N2)C1	REAL300003090939	0	45	-2.0	-121.62	372.85	11.10	-110.52
CC1=CC(C)=NC(N2CCC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])CC2)=N1	REAL300003090940	0	52	-2.0	-112.99	407.19	9.81	-103.18
COC1=CC=C2NN=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C2=C1	REAL300003090941	0	40	-2.0	-123.94	331.40	7.10	-116.84
COC1=CC2=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])NN=C2C=C1	REAL300003090941	1	40	-2.0	-112.24	330.33	5.79	-106.45
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN=C(C(F)(F)F)S2)C1	REAL300003090942	0	32	-2.0	-98.81	302.38	6.88	-91.93
CC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=NNC1=O	REAL300003090943	0	35	-2.0	-103.03	296.18	5.08	-97.95
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C3C=CC=CN3N=N2)C1	REAL300003090944	0	35	-2.0	-126.84	296.65	7.47	-119.37
COC1=CC=C2NC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=C(C)C2=C1	REAL300003090945	0	44	-2.0	-112.29	362.88	8.66	-103.63
CC1CCC(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CC1C	REAL300003090946	0	48	-2.0	-109.57	347.09	9.52	-100.05
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NC=CC3=NC=CC=C32)C1	REAL300003090947	0	37	-2.0	-111.12	316.92	6.82	-104.30
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C(F)(F)CCN2C=CN=N2)C1	REAL300003090948	0	38	-2.0	-107.92	325.35	7.04	-100.88
CC1=CC(F)=CC=C1C(F)(F)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090949	0	39	-2.0	-104.68	323.49	9.22	-95.46
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C(F)(F)CCN2C=CC=N2)C1	REAL300003090950	0	39	-2.0	-113.65	332.59	7.38	-106.27
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CSC3=CN=CN32)C1	REAL300003090951	0	33	-2.0	-103.45	297.06	8.86	-94.59
CC1=CC=C(C=CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003090952	0	43	-2.0	-109.03	352.74	11.57	-97.46
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C=CC2=CC=CC=C2)C1	REAL300003090953	0	37	-2.0	-112.32	309.79	9.19	-103.13
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])N=NN1CC1=CC=NC=C1	REAL300003090954	0	44	-2.0	-117.30	363.12	7.82	-109.48
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC2=C(Br)SC=C2)C1	REAL300003090955	0	36	-2.0	-109.20	331.29	9.00	-100.20
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN(CC(F)(F)F)C=N2)C1	REAL300003090956	0	36	-2.0	-122.06	318.94	10.01	-112.05
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN=CC3=C(Cl)C=CC=C23)C1	REAL300003090957	0	38	-2.0	-110.96	335.69	9.69	-101.27
C[C@H](C1=CC=CC=C1)N1C=CC=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090958	0	47	-2.0	-119.46	373.37	12.17	-107.29
C[C@@H](C1=CC=CC=C1)N1C=CC=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090959	0	47	-2.0	-120.46	370.99	12.10	-108.36
COCC(OC1=CC=C(Cl)C=C1C)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090960	0	47	-2.0	-109.45	392.07	9.34	-100.11
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)[C@@H]2[C@H]3C[C@]2(C2=CC=C(Cl)C=C2)CC3)C1	REAL300003090961	0	47	-2.0	-108.77	380.84	12.59	-96.18
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C(=O)C2=CC(Cl)=CC(Cl)=C2)C1	REAL300003090962	0	35	-2.0	-103.11	327.02	9.43	-93.68
NS(=O)(=O)C1=CSC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003090963	0	35	-2.0	-113.02	321.96	2.59	-110.43
CC(C)(C)C1=NC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])O1	REAL300003090964	0	41	-2.0	-110.26	335.58	5.03	-105.23
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN=C3C(=O)NC=CC3=C2)C1	REAL300003090965	0	38	-2.0	-111.91	322.99	5.10	-106.81
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=CC=CC=C3C2)C1	REAL300003090966	0	38	-2.0	-111.30	309.94	10.21	-101.09
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)[C@@H]2C[C@H]2C2=CC=CC=C2Br)C1	REAL300003090967	0	40	-2.0	-113.41	345.30	10.32	-103.09
CCC(C)C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C(=O)N1	REAL300003090968	0	45	-2.0	-124.81	358.43	8.00	-116.81
CC1=CC(C(C)(C)C)=CC=C1OC(C)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090969	0	55	-2.0	-108.45	419.35	11.89	-96.56
CC1=CC(Cl)=CC=C1O[C@@H](C)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090970	0	43	-2.0	-106.30	358.00	9.91	-96.39
CC1=CC=C(OC(C)C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C(C)=C1	REAL300003090971	0	46	-2.0	-108.68	364.59	10.23	-98.45
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC3=CC(Cl)=CC=C32)C1	REAL300003090972	0	39	-2.0	-115.12	337.35	11.33	-103.79
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCN3N=CN=C3C2)C1	REAL300003090973	0	39	-2.0	-105.59	314.59	8.70	-96.89
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN=CC(C3=CC=C(F)C=C3)=C2)C1	REAL300003090974	0	42	-2.0	-110.10	348.83	10.19	-99.91
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])N=C(C2=NNC=N2)S1	REAL300003090975	0	38	-2.0	-124.32	337.29	7.62	-116.70
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(CC3=CC=CC=C3)=CN2)C1	REAL300003090976	0	44	-2.0	-112.89	364.75	11.48	-101.41
C=CCCC(CC(C)C)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090977	0	48	-2.0	-111.70	369.65	10.07	-101.63
C=CCC(CC(C)C)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090978	0	45	-2.0	-111.51	348.62	9.29	-102.22
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C3NC(C4=CC=CC=C4)=NC3=C2)C1	REAL300003090979	0	46	-2.0	-128.71	382.82	10.28	-118.43
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(C3=CSC=C3)C=C2)C1	REAL300003090980	0	40	-2.0	-112.31	338.87	10.98	-101.33
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CC3=CC(Br)=CN=C3C2)C1	REAL300003090981	0	39	-2.0	-107.29	337.36	8.30	-98.99
CC1=C2C=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])N=CC2=NN1	REAL300003090982	0	38	-2.0	-120.28	318.83	6.74	-113.54
CC(C)CC(CC1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003090983	0	51	-2.0	-114.16	394.40	11.69	-102.47
CC1=CC2=CC=CN=C2C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003090984	0	41	-2.0	-127.80	334.17	9.92	-117.88
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN=C3N=CC=CN23)C1	REAL300003090985	0	35	-2.0	-119.45	293.49	8.35	-111.10
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC(Br)=CS2)C1	REAL300003090986	0	33	-2.0	-104.42	312.04	9.31	-95.11
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C=CC2=CC=C(C3=CC=CC=C3)S2)C1	REAL300003090987	0	44	-2.0	-117.76	378.02	11.98	-105.78
COCCN1C=CC2=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=CC=C21	REAL300003090988	0	47	-2.0	-121.43	381.27	10.28	-111.15
C[C@@H](C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=C(F)C=C1	REAL300003090989	0	39	-2.0	-104.09	318.73	9.72	-94.37
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)[C@H]2C[C@@H](C3=CC=CC=C3)C2)C1	REAL300003090990	0	43	-2.0	-110.77	343.59	11.39	-99.38
CCC(CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])CC(F)(F)F	REAL300003090991	0	41	-2.0	-107.18	330.11	9.23	-97.95
CC(C)N1C=CC2=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=CC=C21	REAL300003090992	0	46	-2.0	-123.21	365.67	11.70	-111.51
CN(C)C1=CC=C(Br)C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003090993	0	41	-2.0	-113.72	346.04	8.57	-105.15
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NN3CC(F)CC3=C2)C1	REAL300003090994	0	37	-2.0	-124.05	308.96	7.90	-116.15
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])NC2=CC(F)=CC(F)=C12	REAL300003090995	0	40	-2.0	-104.55	335.24	9.81	-94.74
CC1=CC2=C(C=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])N2)O1	REAL300003090996	0	37	-2.0	-111.00	312.98	7.82	-103.18
CC(C)C1=CNC2=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=NC2=C1	REAL300003090997	0	45	-2.0	-145.81	362.68	8.48	-137.33
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C3C(=C2)CCCS3(=O)=O)C1	REAL300003090998	0	43	-2.0	-117.55	358.79	7.28	-110.27
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=CC2=CC=CC=C21	REAL300003090999	0	42	-2.0	-114.06	336.21	11.11	-102.95
COC1=CC=CC(CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300003091000	0	42	-2.0	-112.81	348.58	6.18	-106.63
CC1=CC=CC([C@@H](C)C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003091001	0	42	-2.0	-111.81	337.18	9.58	-102.23
COC1=CC(C)=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300003091002	0	39	-2.0	-107.58	322.03	5.76	-101.82
CN1C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC2=C1C=CS2	REAL300003091003	0	37	-2.0	-112.87	317.83	9.34	-103.53
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=NN1C1CCC1	REAL300003091004	0	43	-2.0	-113.82	339.61	9.10	-104.72
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C3CCCCC3=CN2)C1	REAL300003091005	0	41	-2.0	-113.65	321.03	9.46	-104.19
COCCOCC=CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003091006	0	41	-2.0	-111.35	342.28	5.56	-105.79
CN1N=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C2=C1CCOC2	REAL300003091007	0	41	-2.0	-120.52	330.30	6.90	-113.62
CCC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])N1C=NC=N1	REAL300003091008	0	38	-2.0	-105.80	314.15	8.23	-97.57
CC1=NN(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C(C)=C1C	REAL300003091009	0	42	-2.0	-114.19	341.95	8.59	-105.60
CC1=C(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])SC=C1	REAL300003091010	0	36	-2.0	-107.14	309.73	9.27	-97.87
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC(C(F)(F)F)=CO2)C1	REAL300003091011	0	36	-2.0	-106.25	321.98	8.79	-97.46
CS(=O)(=O)C1(C2=CC=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=C2)CC1	REAL300003091012	0	46	-2.0	-129.31	394.35	8.26	-121.05
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN3N=CC=C3C=C2)C1	REAL300003091013	0	36	-2.0	-113.50	308.50	7.61	-105.89
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCCC3=NN=CN32)C1	REAL300003091014	0	39	-2.0	-100.47	316.96	8.94	-91.53
CC1(C)CCCC(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])O1	REAL300003091015	0	46	-2.0	-112.95	348.84	9.28	-103.67
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CN2C=CC3=CC(F)=CC=C32)C1	REAL300003091016	0	40	-2.0	-106.20	339.77	11.05	-95.15
CC1=C2C=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])SC2=C(C)S1	REAL300003091017	0	39	-2.0	-116.44	347.61	10.52	-105.92
COC1=CC2=NC=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=C2C=C1	REAL300003091018	0	42	-2.0	-110.49	344.53	8.24	-102.25
COC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CN=C1	REAL300003091019	0	39	-2.0	-110.85	323.50	7.07	-103.78
CCSC1CCC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300003091020	0	46	-2.0	-106.46	364.84	10.96	-95.50
CC1=CC(CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC(C)=N1	REAL300003091021	0	44	-2.0	-108.37	360.30	8.89	-99.48
CC1=NN(C2CCC2)C=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003091022	0	43	-2.0	-111.42	348.25	9.08	-102.34
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN(C3=CC=CC(F)=C3)N=C2)C1	REAL300003091023	0	40	-2.0	-113.85	342.58	8.95	-104.90
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=NC3=C2CCC3)C1	REAL300003091024	0	39	-2.0	-110.80	312.31	8.64	-102.16
CCC1=C(C)SC=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003091025	0	39	-2.0	-112.63	322.90	8.55	-104.08
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CC(OC(F)(F)F)C2)C1	REAL300003091026	0	37	-2.0	-107.72	317.46	6.29	-101.43
CC1=CC2=CC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=C2C=C1	REAL300003091027	0	42	-2.0	-114.43	340.52	11.48	-102.95
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC=C3COCCC3=C2)C1	REAL300003091028	0	44	-2.0	-108.78	354.06	9.67	-99.11
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC=C3CCOCC3=C2)C1	REAL300003091029	0	44	-2.0	-110.19	354.05	9.67	-100.52
CS(=O)(=O)C1=COC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003091030	0	36	-2.0	-119.66	320.61	3.32	-116.34
CCN1N=NC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1C	REAL300003091031	0	38	-2.0	-124.13	312.86	5.90	-118.23
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN=CC(C3=CC=CC(F)=C3)=C2)C1	REAL300003091032	0	42	-2.0	-108.78	348.80	10.19	-98.59
CCC1=CC=C(N2C=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])N=N2)C=C1	REAL300003091033	0	45	-2.0	-123.18	374.20	9.36	-113.82
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2CCCC(F)(F)C2)C1	REAL300003091034	0	42	-2.0	-112.69	331.29	9.92	-102.77
CC(C)CC(CCC1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003091035	0	54	-2.0	-112.21	412.95	12.61	-99.60
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2CC(C(F)F)C2)C1	REAL300003091036	0	39	-2.0	-105.84	318.24	9.49	-96.35
CCC1=NC2=CC(F)=CC=C2C=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003091037	0	44	-2.0	-106.99	361.36	10.12	-96.87
CC1=NN=NN1C1=CC(F)=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003091038	0	41	-2.0	-111.55	346.81	8.65	-102.90
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC=C(N3CCOCC3)C=C2)C1	REAL300003091039	0	49	-2.0	-110.58	384.79	7.45	-103.13
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)[C@@H]2C[C@H]2C2=CC=C3OCCOC3=C2)C1	REAL300003091040	0	46	-2.0	-114.96	371.51	8.97	-105.99
CCC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1Cl	REAL300003091041	0	39	-2.0	-109.86	328.60	10.36	-99.50
CC1=CN=C(N2CCOCC2)N=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003091042	0	47	-2.0	-109.74	378.73	7.53	-102.21
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(CC3CC3)C=C2)C1	REAL300003091043	0	43	-2.0	-112.83	349.52	10.62	-102.21
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN=C3CCCCC3=C2)C1	REAL300003091044	0	42	-2.0	-111.75	330.98	9.17	-102.58
CCC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003091045	0	41	-2.0	-121.08	340.67	9.43	-111.65
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCC2C2=CC=CC=C2Cl)C1	REAL300003091046	0	43	-2.0	-112.02	357.06	11.76	-100.26
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(Br)=C3OC=CC3=C2)C1	REAL300003091047	0	36	-2.0	-111.75	326.12	8.67	-103.08
COCCN1C=CC2=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=CC=C21	REAL300003091048	0	47	-2.0	-113.09	390.59	10.31	-102.78
CC(C)N1C=CC2=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=CC=C21	REAL300003091049	0	46	-2.0	-113.58	374.95	11.72	-101.86
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=NN2CC2CC2)C1	REAL300003091050	0	40	-2.0	-106.43	326.15	8.45	-97.98
CC1(C)COCCC1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003091051	0	43	-2.0	-108.51	315.99	6.33	-102.18
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC3=NN=CN32)C1	REAL300003091052	0	35	-2.0	-105.85	300.69	9.56	-96.29
C=CCOCC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C(C)(C)C	REAL300003091053	0	49	-2.0	-107.69	367.39	8.86	-98.83
CC12CCCN1S(=O)(=O)C(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C2	REAL300003091054	0	45	-2.0	-114.70	348.16	4.98	-109.72
CN1N=CC(C(F)F)=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003091055	0	36	-2.0	-111.72	316.41	7.22	-104.50
CC1=NN(C2CCC2)C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003091056	0	43	-2.0	-109.45	338.75	8.06	-101.39
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003091057	0	44	-2.0	-117.76	371.03	9.74	-108.02
CC1(C)CCCOC1CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003091058	0	46	-2.0	-111.63	343.70	8.94	-102.69
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C=CC2=CC=C(Cl)C=C2F)C1	REAL300003091059	0	37	-2.0	-108.67	332.02	9.74	-98.93
COC1=CC2=CC=C(CC(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=C2C=C1	REAL300003091060	0	46	-2.0	-110.66	375.76	11.13	-99.53
CN1N=CC(Cl)=C1C1=NOC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003091061	0	39	-2.0	-111.71	348.36	6.86	-104.85
CCCCOC1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003091062	0	50	-2.0	-109.92	403.26	11.92	-98.00
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C3C=COC3=C2)C1	REAL300003091063	0	36	-2.0	-118.98	304.80	8.05	-110.93
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)[C@@H]2C[C@H]2C2=CC=NC=C2Cl)C1	REAL300003091064	0	39	-2.0	-110.43	336.37	8.45	-101.98
CC1=C(C)NC(=O)C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003091065	0	39	-2.0	-135.02	318.04	5.53	-129.49
CCN1N=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1C	REAL300003091066	0	39	-2.0	-123.65	320.85	7.39	-116.26
CCCN1C=CC=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003091067	0	40	-2.0	-114.70	319.35	9.58	-105.12
CC(C)(C)N1C=C(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300003091068	0	45	-2.0	-112.51	363.57	8.43	-104.08
CC(CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300003091069	0	42	-2.0	-107.14	346.27	9.82	-97.32
CCC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])SC(C2=NNC=N2)=N1	REAL300003091070	0	41	-2.0	-117.43	357.78	6.94	-110.49
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C3NC=NC3=CC(Br)=C2)C1	REAL300003091071	0	36	-2.0	-106.49	319.14	8.90	-97.59
CC1=NNC2=C1CC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])CC2	REAL300003091072	0	43	-2.0	-109.84	340.82	8.07	-101.77
CC1=C2CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])CCC2=NN1	REAL300003091072	1	43	-2.0	-108.54	340.00	8.02	-100.52
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC2=C(Br)C=CS2)C1	REAL300003091073	0	36	-2.0	-107.23	331.87	9.07	-98.16
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C3NC(C4CC4)=NC3=C2)C1	REAL300003091074	0	43	-2.0	-116.86	355.04	8.76	-108.10
NS(=O)(=O)C1=COC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003091075	0	35	-2.0	-116.00	314.01	0.75	-115.25
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCC3=NC(C(F)(F)F)=CN3C2)C1	REAL300003091076	0	43	-2.0	-105.81	361.27	8.89	-96.92
CC1=CC(C(F)(F)F)=CC=C1CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003091077	0	42	-2.0	-104.36	356.17	11.08	-93.28
CSC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300003091078	0	39	-2.0	-105.32	340.54	9.16	-96.16
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN3N=NC=C3C=C2)C1	REAL300003091079	0	35	-2.0	-103.04	304.42	7.17	-95.87
C[C@@H]1CC2=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])NN=C2[C@H](C)O1	REAL300003091080	0	44	-2.0	-111.27	356.89	5.74	-105.53
C[C@@H]1CC2=C(NN=C2C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])[C@H](C)O1	REAL300003091080	1	44	-2.0	-115.50	349.38	6.90	-108.60
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCNC2=CN=CN=C2)C1	REAL300003091081	0	39	-2.0	-104.82	325.21	6.56	-98.26
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2CC3(CCC3)C2)C1	REAL300003091082	0	43	-2.0	-108.12	336.87	10.47	-97.65
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C[C@@H](O)C2=CC=CC=C2)C1	REAL300003091083	0	40	-2.0	-110.61	328.39	7.67	-102.94
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NOC(CF)=C2)C1	REAL300003091084	0	32	-2.0	-118.25	281.30	6.48	-111.77
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCCC(F)(F)CC2)C1	REAL300003091085	0	42	-2.0	-105.34	315.81	9.26	-96.08
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCC3=CC=NN3C2)C1	REAL300003091086	0	40	-2.0	-116.82	320.43	7.03	-109.79
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C3C=NSC3=CC=C2)C1	REAL300003091087	0	35	-2.0	-108.82	310.78	8.80	-100.02
CN1C=C(OCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300003091088	0	37	-2.0	-111.61	314.71	6.38	-105.23
CS(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C(Cl)=C1	REAL300003091089	0	39	-2.0	-114.76	345.51	6.55	-108.21
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NC(C3CC3)=NC=C2Cl)C1	REAL300003091090	0	38	-2.0	-109.74	333.02	9.18	-100.56
CN1N=CC2=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=C(C3CC3)N=C21	REAL300003091091	0	45	-2.0	-108.50	365.58	9.69	-98.81
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C=CC2=CC=NC=C2)C1	REAL300003091092	0	36	-2.0	-107.25	304.06	8.33	-98.92
COC1=CC=C(C=CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C(OC)=C1OC	REAL300003091093	0	49	-2.0	-112.31	403.71	8.46	-103.85
CC=CC1=CC=C(OCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C(OC)=C1	REAL300003091094	0	48	-2.0	-113.79	391.92	10.32	-103.47
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCC(OC3=CC=CC=C3)CC2)C1	REAL300003091095	0	50	-2.0	-107.65	385.63	11.17	-96.48
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CC3=CC=CN=C3C2)C1	REAL300003091096	0	39	-2.0	-115.67	313.16	7.59	-108.08
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN3C(=NN=C3C3=CC=CC=C3)C=C2)C1	REAL300003091097	0	45	-2.0	-111.16	378.03	11.61	-99.55
CC1=CC2=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=CN=C2C(F)=C1	REAL300003091098	0	41	-2.0	-108.18	345.08	8.78	-99.40
CN1C=C(C2=NC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=CO2)C=N1	REAL300003091099	0	39	-2.0	-121.12	336.70	6.00	-115.12
COC1=C2C=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])NC2=C(C)C=C1	REAL300003091100	0	44	-2.0	-114.60	358.13	9.12	-105.48
COC1=NC2=CC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=C2C=C1	REAL300003091101	0	42	-2.0	-111.09	346.31	7.45	-103.64
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NOC(COC3=CC=C(F)C=C3)=C2)C1	REAL300003091102	0	43	-2.0	-113.25	369.99	9.96	-103.29
CCCCOC1=CC=C(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003091103	0	49	-2.0	-109.52	393.58	10.27	-99.25
CC(C)(C)C1=CC=NC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003091104	0	44	-2.0	-120.43	348.08	9.06	-111.37
CC1=CN2C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=CN=C2S1	REAL300003091105	0	36	-2.0	-114.70	310.81	7.74	-106.96
CCCC(CCC1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003091106	0	51	-2.0	-112.12	400.60	12.00	-100.12
CCC(C)(C)C1CCC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300003091107	0	54	-2.0	-109.40	373.75	11.05	-98.35
COC1CC2(C1)CCC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])CC2	REAL300003091108	0	50	-2.0	-109.15	379.29	9.63	-99.52
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2COC3COCC32)C1	REAL300003091109	0	39	-2.0	-108.29	299.12	5.05	-103.24
CC1=CC2=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=CN=C2C=C1	REAL300003091110	0	41	-2.0	-115.04	337.82	8.69	-106.35
CCC(CCC1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003091111	0	48	-2.0	-110.05	372.70	11.01	-99.04
CN1C=C(C2=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=NO2)N=N1	REAL300003091112	0	38	-2.0	-117.86	330.42	6.78	-111.08
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC2=CC=C3CCOCC3=C2)C1	REAL300003091113	0	47	-2.0	-110.16	375.91	9.52	-100.64
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CC23CCC(F)(F)CC3)C1	REAL300003091114	0	43	-2.0	-110.09	337.63	9.26	-100.83
CN(C)C1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300003091115	0	43	-2.0	-105.72	355.60	8.76	-96.96
CC(C)(C)C1=CN=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003091116	0	44	-2.0	-110.76	344.52	9.00	-101.76
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(OC3=CC=C(F)C=C3)S2)C1	REAL300003091117	0	41	-2.0	-108.60	365.24	10.94	-97.66
COC1CC(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C1(C)C	REAL300003091118	0	46	-2.0	-110.85	356.27	8.82	-102.03
CC(C)(C)C1=CC=NC2=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=NN21	REAL300003091119	0	47	-2.0	-125.68	375.13	10.18	-115.50
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCC3(CC3(F)F)C2)C1	REAL300003091120	0	40	-2.0	-108.94	324.41	9.69	-99.25
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCCC3C2C3(F)F)C1	REAL300003091121	0	40	-2.0	-119.54	315.18	8.64	-110.90
C=C1CC2(C1)CC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C2	REAL300003091122	0	41	-2.0	-107.68	327.85	10.21	-97.47
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003091123	0	44	-2.0	-112.15	350.00	9.06	-103.09
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C(C(F)F)=NN1C	REAL300003091124	0	39	-2.0	-112.23	336.10	7.88	-104.35
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(C3CCCC3)=NN2)C1	REAL300003091125	0	43	-2.0	-106.50	341.70	8.58	-97.92
COC1=CC=CC=C1OC(C)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003091126	0	44	-2.0	-112.64	352.36	8.62	-104.02
CC1=C(Cl)C=NN1CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003091127	0	36	-2.0	-108.29	317.81	7.91	-100.38
CC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1S(=O)(=O)N(C)C	REAL300003091128	0	47	-2.0	-125.49	376.32	7.24	-118.25
CCC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])N2C=C(C)SC2=N1	REAL300003091129	0	42	-2.0	-112.98	362.12	10.33	-102.65
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCC(C3CCCO3)O2)C1	REAL300003091130	0	45	-2.0	-115.83	348.82	8.00	-107.83
CN1N=NC2=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=CC=C21	REAL300003091131	0	38	-2.0	-130.04	316.44	7.21	-122.83
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN=C3OCCCC3=C2)C1	REAL300003091132	0	40	-2.0	-111.73	326.15	5.25	-106.48
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(C3=CC=NC=C3)=NO2)C1	REAL300003091133	0	38	-2.0	-112.35	328.00	7.07	-105.28
CC1=CC2=C(C=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])S2)S1	REAL300003091134	0	36	-2.0	-111.65	325.48	9.88	-101.77
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC23CCC(CC2)C3)C1	REAL300003091135	0	43	-2.0	-109.57	322.98	9.07	-100.50
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CC=CC3=CC=CC=C32)C1	REAL300003091136	0	41	-2.0	-111.89	330.41	9.87	-102.02
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(Cl)=CS2)C1	REAL300003091137	0	30	-2.0	-105.05	283.27	8.21	-96.84
CCCOCCCC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003091138	0	42	-2.0	-107.87	339.30	7.25	-100.62
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN3C=NN=C3C=N2)C1	REAL300003091139	0	34	-2.0	-107.54	292.57	8.72	-98.82
NS(=O)(=O)CC1=CC=CC=C1CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003091140	0	44	-2.0	-118.22	372.06	4.16	-114.06
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2(C3=CC=C(C(F)(F)F)C=C3)CC2)C1	REAL300003091141	0	46	-2.0	-106.85	385.78	11.39	-95.46
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC3=NC=CC=C23)C1	REAL300003091142	0	38	-2.0	-113.84	315.07	8.92	-104.92
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C3SC=CC3=CN=C2)C1	REAL300003091143	0	35	-2.0	-115.67	303.59	8.00	-107.67
CC(C)C(C)C(C)CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003091144	0	47	-2.0	-106.82	345.37	9.79	-97.03
COC1CC2(C1)CC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C2	REAL300003091145	0	44	-2.0	-107.78	347.42	8.66	-99.12
CC1=CC2=C(OCC2)C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003091146	0	41	-2.0	-119.47	332.22	7.98	-111.49
CC(C)OCC1=CC=CC=C1CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003091147	0	49	-2.0	-109.74	391.46	11.03	-98.71
CC1(C)CCC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CO1	REAL300003091148	0	43	-2.0	-107.04	325.67	7.71	-99.33
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)[C@@H]2C[C@H]2C2=C(Cl)C=CC=C2Cl)C1	REAL300003091149	0	40	-2.0	-113.63	355.40	10.59	-103.04
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(C3=CC=CC=N3)=NN2)C1	REAL300003091150	0	39	-2.0	-111.99	333.81	7.36	-104.63
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NNC(C3=CC=CC=N3)=C2)C1	REAL300003091150	1	39	-2.0	-119.78	330.77	7.46	-112.32
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(C3=CC=CC=N3)S2)C1	REAL300003091151	0	39	-2.0	-113.64	340.18	8.57	-105.07
CC1(C)C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C1(F)F	REAL300003091152	0	36	-2.0	-110.48	296.61	7.65	-102.83
CN(C)C1=CC2=CC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=C2C=C1	REAL300003091153	0	47	-2.0	-116.27	370.12	11.21	-105.06
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2C(F)(F)C23CCC3)C1	REAL300003091154	0	37	-2.0	-108.42	307.97	9.33	-99.09
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])OC(S(N)(=O)=O)=C1	REAL300003091155	0	38	-2.0	-122.72	332.33	1.54	-121.18
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(C3CC3(F)F)C=C2)C1	REAL300003091156	0	40	-2.0	-113.74	335.36	10.80	-102.94
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCC3(CC3(F)F)CC2)C1	REAL300003091157	0	43	-2.0	-114.26	332.93	9.04	-105.22
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CC3(CC3(F)F)C2)C1	REAL300003091158	0	37	-2.0	-103.15	312.40	9.37	-93.78
CC1=NNC(CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003091159	0	39	-2.0	-107.87	324.03	6.36	-101.51
CC1=CC(CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=NN1	REAL300003091159	1	39	-2.0	-113.50	322.41	6.21	-107.29
CC(CN1C=CN=C1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003091161	0	39	-2.0	-106.31	317.94	8.28	-98.03
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)[C@H]2CC[C@@H](NC3=CC=CC=N3)CC2)C1	REAL300003091162	0	50	-2.0	-111.89	383.48	9.14	-102.75
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CN2N=NC3=CC=CC=C32)C1	REAL300003091163	0	38	-2.0	-112.82	323.67	7.63	-105.19
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NC3=CC=CNC3=C2)C1	REAL300003091164	0	36	-2.0	-144.60	302.77	7.56	-137.04
CN1C=NC2=C1CCCC2C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003091165	0	43	-2.0	-124.08	337.67	10.42	-113.66
COC1=C(Cl)C=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C2=NC=CC=C21	REAL300003091166	0	42	-2.0	-120.74	370.56	9.38	-111.36
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CN3N=NC=C23)C1	REAL300003091167	0	35	-2.0	-109.42	302.67	7.17	-102.25
COCC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])N1	REAL300003091169	0	38	-2.0	-109.48	315.90	6.71	-102.77
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=NN1C(C)C(C)C	REAL300003091170	0	48	-2.0	-113.99	373.16	9.76	-104.23
CCCSC1=CC=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003091171	0	43	-2.0	-112.51	359.02	10.31	-102.20
COC1=CC=C2C(=C1)CCCC2C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003091172	0	47	-2.0	-112.97	365.31	10.03	-102.94
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(C3=CC=CC(Cl)=C3)C=N2)C1	REAL300003091173	0	42	-2.0	-117.20	361.69	11.33	-105.87
CCCCSC1=CC=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003091174	0	46	-2.0	-112.38	380.51	11.09	-101.29
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C(O)C2=CC=C(Cl)C=C2Cl)C1	REAL300003091175	0	37	-2.0	-110.38	327.28	6.50	-103.88
CC1=NC=NC2=C1CC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])CC2	REAL300003091176	0	44	-2.0	-104.61	345.04	9.54	-95.07
CC1=NN(C)C(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003091177	0	39	-2.0	-108.66	322.55	7.68	-100.98
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=COC3=CC=C(Br)C=C23)C1	REAL300003091178	0	36	-2.0	-109.76	325.22	8.62	-101.14
COC1=CC=CC(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300003091179	0	39	-2.0	-113.09	325.98	6.52	-106.57
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCC(OC(F)(F)F)CC2)C1	REAL300003091180	0	43	-2.0	-108.81	339.25	8.05	-100.76
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CSC(Cl)=C2)C1	REAL300003091181	0	33	-2.0	-103.70	307.37	9.14	-94.56
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=CC=C(Br)C=C3O2)C1	REAL300003091182	0	36	-2.0	-114.83	325.85	8.86	-105.97
CC(CC1=CC=C(Cl)C(Cl)=C1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003091183	0	42	-2.0	-105.01	369.85	10.75	-94.26
CC(CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])CC(F)(F)F	REAL300003091184	0	38	-2.0	-106.19	312.26	8.63	-97.56
CC1(C)CC2(CC2C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C1	REAL300003091185	0	43	-2.0	-111.14	337.38	9.29	-101.85
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2CCC3(CCCC3)CC2)C1	REAL300003091186	0	52	-2.0	-107.78	378.06	11.03	-96.75
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCCC23CCC3)C1	REAL300003091187	0	43	-2.0	-110.31	318.67	9.58	-100.73
CC1COC2=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=CC=C21	REAL300003091188	0	41	-2.0	-122.04	329.25	9.28	-112.76
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CC(C3CCC3)C2)C1	REAL300003091189	0	43	-2.0	-107.25	335.10	10.50	-96.75
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN=C3CCOCC3=C2)C1	REAL300003091190	0	40	-2.0	-105.70	330.14	6.88	-98.82
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2COCC3=CC=CC=C32)C1	REAL300003091191	0	44	-2.0	-109.78	345.31	9.38	-100.40
CC1=NN=C2CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])CN12	REAL300003091192	0	39	-2.0	-110.99	315.86	7.85	-103.14
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2CCCCCC2(F)F)C1	REAL300003091193	0	45	-2.0	-109.92	337.26	10.15	-99.77
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(C(=O)C3=CC=CC=C3)=CC=C2)C1	REAL300003091194	0	45	-2.0	-112.55	372.62	10.90	-101.65
CC12CC(CC(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])(C1)CO2	REAL300003091195	0	41	-2.0	-109.96	322.61	7.71	-102.25
CC1CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CCS1(=O)=O	REAL300003091196	0	42	-2.0	-109.43	341.15	5.70	-103.73
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)[C@@H]2C[C@@H]3CCCCC[C@H]23)C1	REAL300003091197	0	46	-2.0	-113.66	337.08	9.42	-104.24
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)[C@@H]2C[C@]23CCCC2=CC=CC=C23)C1	REAL300003091198	0	47	-2.0	-111.36	362.89	11.44	-99.92
CCC1=CN2CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])CCC2=N1	REAL300003091199	0	46	-2.0	-104.34	362.98	10.22	-94.12
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC23CCC(CC2)C3)C1	REAL300003091200	0	46	-2.0	-107.02	348.69	10.95	-96.07
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(CC3=CC=CC=C3)C=C2)C1	REAL300003091201	0	46	-2.0	-113.46	376.70	13.02	-100.44
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN=CC(N3C=CN=C3)=N2)C1	REAL300003091202	0	38	-2.0	-115.98	321.90	9.17	-106.81
CC1(C)CC2=CC=CC(CC(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=C2O1	REAL300003091203	0	47	-2.0	-115.93	377.37	10.77	-105.16
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCCOC2=CC=CC([N+](=O)[O-])=C2)C1	REAL300003091204	0	45	-2.0	-110.71	380.37	9.70	-101.01
COC1=CN=NC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003091205	0	35	-2.0	-118.93	294.81	4.52	-114.41
CC1CCC(OCCCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300003091206	0	52	-2.0	-108.96	398.03	10.82	-98.14
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C(F)C2CCOC2)C1	REAL300003091207	0	37	-2.0	-107.90	296.02	5.55	-102.35
CCC1(C)CCC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])O1	REAL300003091208	0	43	-2.0	-112.80	331.13	8.54	-104.26
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C3SN=CC3=C2)C1	REAL300003091209	0	35	-2.0	-101.36	313.00	8.78	-92.58
CN(CC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1)C1=CC=CC=C1	REAL300003091210	0	51	-2.0	-115.56	401.77	12.74	-102.82
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN([C@@H]3COC[C@@H]3F)N=N2)C1	REAL300003091211	0	40	-2.0	-122.53	333.34	4.83	-117.70
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CC3(CCC3)CO2)C1	REAL300003091212	0	41	-2.0	-111.93	320.67	8.34	-103.59
COC1=CC([C@@H]2C[C@H]2C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C(OC)C=C1C	REAL300003091213	0	51	-2.0	-114.67	404.71	9.20	-105.47
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NC3=NC=CN3C=C2)C1	REAL300003091214	0	35	-2.0	-123.14	297.19	10.44	-112.70
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2CCCCC2(F)F)C1	REAL300003091215	0	42	-2.0	-106.04	329.37	9.84	-96.20
CN1N=CC=C1C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003091216	0	43	-2.0	-110.39	349.32	9.58	-100.81
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CC3(CC(F)C3)C2)C1	REAL300003091217	0	40	-2.0	-107.25	321.14	8.69	-98.56
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C23CCC(C2)S(=O)(=O)CC3)C1	REAL300003091218	0	43	-2.0	-107.58	327.81	5.37	-102.21
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCCC3=NC=CC=C32)C1	REAL300003091219	0	42	-2.0	-105.04	333.23	8.68	-96.36
COC1(C2=CC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=N2)CCOCC1	REAL300003091220	0	50	-2.0	-108.67	387.49	7.20	-101.47
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC2=C(F)C=CC=C2Cl)C1	REAL300003091221	0	39	-2.0	-111.32	341.55	9.88	-101.44
CN1C=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C2=CC(Cl)=CC=C21	REAL300003091222	0	40	-2.0	-115.18	346.92	9.74	-105.44
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(CCF)C=C2)C1	REAL300003091223	0	39	-2.0	-110.70	323.38	10.14	-100.56
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CC3=CSC=C3C2)C1	REAL300003091224	0	37	-2.0	-108.92	308.28	8.30	-100.62
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(N3CCNS3(=O)=O)C=C2)C1	REAL300003091225	0	44	-2.0	-118.05	366.35	4.65	-113.40
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=CN=NN3C=C2)C1	REAL300003091226	0	35	-2.0	-101.04	303.96	7.27	-93.77
CCC1=CC=CC(CC)=C1CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003091227	0	48	-2.0	-111.52	369.22	10.91	-100.61
CC1(C)CCCC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300003091228	0	48	-2.0	-108.33	337.75	9.88	-98.45
CC(C)[C@H]1CC[C@@H](C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300003091229	0	48	-2.0	-110.01	346.91	10.21	-99.80
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(OCC(F)F)C=C2)C1	REAL300003091230	0	40	-2.0	-111.86	338.18	9.11	-102.75
CC1=CN2C=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=CC2=N1	REAL300003091231	0	39	-2.0	-109.16	326.78	8.73	-100.43
CC1=NC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C2C=CNC2=N1	REAL300003091232	0	38	-2.0	-122.69	320.21	7.39	-115.30
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=CC=CC(OCC3CC3)=C2)C1	REAL300003091233	0	47	-2.0	-110.19	383.38	11.39	-98.80
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=CC=CC=C3C([N+](=O)[O-])=C2)C1	REAL300003091234	0	41	-2.0	-124.95	343.71	10.32	-114.63
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCOC3(CCCCC3)C2)C1	REAL300003091235	0	50	-2.0	-107.45	365.87	9.73	-97.72
CC(C)N1C=C(C2CC2C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300003091236	0	46	-2.0	-117.79	364.79	9.68	-108.11
CC1(C)CC(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CO1	REAL300003091237	0	43	-2.0	-107.57	335.79	8.08	-99.49
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2CC3(CCC3)CO2)C1	REAL300003091238	0	44	-2.0	-112.56	343.51	8.92	-103.64
COC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC(F)=C1F	REAL300003091239	0	37	-2.0	-102.41	316.13	8.06	-94.35
COC1=CC2=CC=CN=C2C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003091240	0	42	-2.0	-128.01	342.25	8.55	-119.46
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC(C3=NNC=C3)=C2)C1	REAL300003091241	0	40	-2.0	-120.97	336.36	7.75	-113.22
CC1=C2NN=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C2=CC=C1	REAL300003091242	0	39	-2.0	-118.69	323.33	8.44	-110.25
CC1=CC=CC2=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])NN=C21	REAL300003091242	1	39	-2.0	-112.80	326.46	6.92	-105.88
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCC3(CCOCC3)O2)C1	REAL300003091243	0	45	-2.0	-111.27	344.34	6.81	-104.46
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCC3(CCC3)O2)C1	REAL300003091244	0	41	-2.0	-111.62	321.28	8.50	-103.12
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC(C2=CC=C(F)C(F)=C2)C2CC2)C1	REAL300003091245	0	46	-2.0	-106.58	377.43	12.02	-94.56
CC1CCCC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300003091246	0	45	-2.0	-108.48	327.25	9.78	-98.70
CC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300003091247	0	45	-2.0	-112.30	356.60	11.09	-101.21
CC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC=C1Cl	REAL300003091248	0	39	-2.0	-107.55	327.95	10.11	-97.44
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC(CC3=CC=CC=N3)=C2)C1	REAL300003091249	0	45	-2.0	-115.90	373.20	10.26	-105.64
CC(F)(F)[C@@H]1C[C@H]1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003091250	0	36	-2.0	-108.62	303.53	7.90	-100.72
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=COC3=C(F)C=C(Cl)C=C23)C1	REAL300003091251	0	36	-2.0	-106.22	327.09	8.59	-97.63
CC(C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-])N1C=CC(C2CC2)=N1	REAL300003091252	0	43	-2.0	-112.96	347.37	9.21	-103.75
CC(C)(C)C1CCNC2=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=NN21	REAL300003091253	0	51	-2.0	-116.90	382.39	8.92	-107.98
CC1=CC=CC=C1C1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=NO1	REAL300003091254	0	42	-2.0	-117.98	352.09	9.84	-108.14
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NOC(C3=CC=C4OCOC4=C3)=C2)C1	REAL300003091255	0	42	-2.0	-113.25	357.73	8.87	-104.38
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(C3CCC3)=NO2)C1	REAL300003091256	0	39	-2.0	-107.22	319.30	8.68	-98.54
CC1=CC(C(F)(F)C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CS1	REAL300003091257	0	36	-2.0	-105.89	319.73	9.18	-96.71
CN1C=C(C(F)(F)C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300003091258	0	36	-2.0	-107.13	311.89	7.28	-99.85
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(CN3CCOCC3)C=C2)C1	REAL300003091259	0	49	-2.0	-112.78	382.00	7.66	-105.12
COC1=CC([C@@H](C)CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC=C1C	REAL300003091261	0	49	-2.0	-108.10	385.03	10.74	-97.36
CC1CN(CC2=CC=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=C2)CCO1	REAL300003091262	0	52	-2.0	-112.38	403.03	8.20	-104.18
CC(C)CN1N=CC=C1[C@@H]1C[C@H]1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003091263	0	49	-2.0	-109.75	391.93	9.89	-99.86
CC(C)CN1C=C([C@@H]2C[C@H]2C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300003091264	0	49	-2.0	-113.94	394.30	10.03	-103.91
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CC3CCCCCCC32)C1	REAL300003091265	0	49	-2.0	-113.52	350.75	11.12	-102.40
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCCC3(CCC3)C2)C1	REAL300003091266	0	46	-2.0	-111.69	345.64	9.69	-102.00
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=CC3=C2COC3)C1	REAL300003091267	0	38	-2.0	-113.58	306.82	7.82	-105.76
CC1CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CCS1	REAL300003091268	0	40	-2.0	-106.59	322.04	8.37	-98.22
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)[C@@H]2C[C@H]2C2=CN(C3=CC=CC=C3)N=C2)C1	REAL300003091269	0	47	-2.0	-111.73	387.46	12.09	-99.64
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NN3CC4(CC4)CC3=C2)C1	REAL300003091270	0	41	-2.0	-120.66	334.40	9.14	-111.52
CCCCC[C@@H](O)CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003091271	0	45	-2.0	-109.16	357.00	7.68	-101.48
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2CCS(=O)(=O)CC2)C1	REAL300003091272	0	42	-2.0	-111.66	338.79	4.91	-106.75
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])N2C=CC=CC2=N1	REAL300003091273	0	39	-2.0	-116.84	328.04	9.58	-107.26
COC1CC(CCC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C1	REAL300003091274	0	43	-2.0	-109.31	343.97	7.44	-101.87
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCC3=C(C2)C(C(F)(F)F)=NN3)C1	REAL300003091275	0	43	-2.0	-112.63	360.78	8.49	-104.14
CC(C)CC1=NC=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300003091276	0	43	-2.0	-111.95	340.33	8.97	-102.98
CCC1=C(C)C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=NO1	REAL300003091277	0	38	-2.0	-119.70	313.53	7.75	-111.95
CC1=CC=C(F)C=C1C(F)(F)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003091278	0	39	-2.0	-112.13	323.70	9.19	-102.94
CCC1=CC=CC=C1C(F)(F)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003091279	0	42	-2.0	-113.53	338.81	9.54	-103.99
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC(C2=CC=CC=C2)N2C=NN=N2)C1	REAL300003091280	0	44	-2.0	-112.64	359.81	8.98	-103.66
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2=C3NC=CC=C3N=C2)C1	REAL300003091281	0	39	-2.0	-122.03	326.72	7.76	-114.27
COC1=C2NC=C(CC(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C2=CC=C1	REAL300003091282	0	44	-2.0	-114.95	361.78	8.92	-106.03
COCC(C)(O)CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003091283	0	40	-2.0	-110.95	319.90	4.51	-106.44
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=C(Cl)C=C(F)C=C3N2)C1	REAL300003091284	0	37	-2.0	-104.60	330.36	9.73	-94.87
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])NC2=C1CCCC2	REAL300003091285	0	44	-2.0	-112.80	342.56	10.02	-102.78
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(CC3CCC3)=CN2)C1	REAL300003091286	0	44	-2.0	-108.70	350.37	9.34	-99.36
CC1=C(C)NC(C=CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300003091287	0	40	-2.0	-119.35	333.83	7.22	-112.13
CC1=CNC(C=CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300003091288	0	37	-2.0	-119.46	314.12	6.70	-112.76
CCC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=CS1	REAL300003091289	0	36	-2.0	-112.13	300.96	8.92	-103.21
CCCCN1C=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])N=N1	REAL300003091290	0	41	-2.0	-123.12	339.66	6.96	-116.16
CCCC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=NN1C	REAL300003091291	0	42	-2.0	-118.78	340.76	8.96	-109.82
CCCC1=NN(C)C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003091292	0	42	-2.0	-105.09	339.86	8.52	-96.57
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C3CCCCC3=NNC2=O)C1	REAL300003091294	0	42	-2.0	-123.96	336.63	5.37	-118.59
CC(C)CC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=NO1	REAL300003091295	0	41	-2.0	-118.21	336.14	8.45	-109.76
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN=C(C3CCOCC3)S2)C1	REAL300003091296	0	43	-2.0	-113.32	358.06	6.38	-106.94
CC1=NC=C2C=CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=CN21	REAL300003091297	1	39	-2.0	-110.64	323.98	8.90	-101.74
CC1=CN2CC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])CCC2=N1	REAL300003091298	0	43	-2.0	-107.46	341.85	8.55	-98.91
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN=C3COCCC3=C2)C1	REAL300003091299	0	40	-2.0	-105.18	330.16	6.88	-98.30
CCC1=CC([N+](=O)[O-])=CC=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003091300	0	41	-2.0	-103.42	342.49	10.46	-92.96
CC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=NN1CC(F)(F)F	REAL300003091301	0	39	-2.0	-122.85	338.93	7.75	-115.10
CN1C=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C2=CC=CC(Cl)=C21	REAL300003091302	0	40	-2.0	-112.94	341.37	9.56	-103.38
CC1=C(C2CC2)ON=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003091303	0	39	-2.0	-114.91	322.87	9.39	-105.52
CC1=C(C2=CC=CC=C2)ON=C1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003091304	0	42	-2.0	-113.67	348.76	10.62	-103.05
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C=CC2=C(Br)C=CS2)C1	REAL300003091305	0	34	-2.0	-111.20	319.91	8.85	-102.35
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C=CC2=C(Br)SC=C2)C1	REAL300003091306	0	34	-2.0	-109.98	319.85	8.79	-101.19
CCC1=CC=NC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003091307	0	38	-2.0	-120.97	314.24	8.14	-112.83
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C23CC(C(F)(F)F)(C2)CO3)C1	REAL300003091308	0	38	-2.0	-103.91	321.51	7.06	-96.85
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C=CC2=CN=CC(F)=C2)C1	REAL300003091309	0	36	-2.0	-108.82	311.09	7.48	-101.34
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CN=CC(N3C=CC=N3)=N2)C1	REAL300003091310	0	38	-2.0	-115.16	323.33	6.94	-108.22
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(F)=CC3=CN=CC=C32)C1	REAL300003091311	0	38	-2.0	-112.55	320.81	8.97	-103.58
CN1N=NC=C1C1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300003091312	0	42	-2.0	-113.87	342.78	7.37	-106.50
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC(=O)C2=CC=C3CCCCC3=C2)C1	REAL300003091313	0	51	-2.0	-113.26	405.14	11.75	-101.51
CC1=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=CC2=NNN=C21	REAL300003091314	0	38	-2.0	-109.48	313.81	6.46	-103.02
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=NC=C3C=CSC3=C2)C1	REAL300003091315	0	35	-2.0	-119.64	308.17	8.07	-111.57
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=CC=CC(OC(F)F)=C3O2)C1	REAL300003091316	0	40	-2.0	-119.71	343.36	7.89	-111.82
CN1N=C(C(F)(F)F)C=C1CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003091317	0	39	-2.0	-105.66	341.98	8.08	-97.58
CC1CC(CC(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C(C)O1	REAL300003091318	0	43	-2.0	-105.74	336.87	8.18	-97.56
CCC1=CN2CCC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])CC2=N1	REAL300003091319	0	46	-2.0	-110.70	363.25	9.32	-101.38
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CC2CCCC3CCCCC23)C1	REAL300003091320	0	52	-2.0	-110.39	370.50	10.71	-99.68
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=COC(Cl)=C2)C1	REAL300003091321	0	30	-2.0	-108.26	273.65	6.30	-101.96
COC1=C2C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])=CSC2=CC=C1	REAL300003091322	0	40	-2.0	-119.48	338.14	9.28	-110.20
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C3C=CC=CC3=NS2)C1	REAL300003091323	0	35	-2.0	-112.40	308.09	7.62	-104.78
CC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])SC(F)=C1	REAL300003091324	0	33	-2.0	-109.02	291.82	7.44	-101.58
CC1(C)[C@H](C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])[C@@H]1C(F)F	REAL300003091325	0	39	-2.0	-111.36	306.55	8.86	-102.50
CN1N=NC2=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=CC=C21	REAL300003091326	0	38	-2.0	-130.04	316.44	7.21	-122.83
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC(C3CC3)=CC=N2)C1	REAL300003091327	0	39	-2.0	-118.73	319.46	8.77	-109.96
COC1=NC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C(C)=N1	REAL300003091328	0	38	-2.0	-103.63	317.07	3.70	-99.93
CC(CC1=CC=NC=C1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003091329	0	41	-2.0	-105.86	332.25	8.77	-97.09
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CC(N3C=CN=C3)C2)C1	REAL300003091330	0	40	-2.0	-110.11	324.11	8.74	-101.37
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCCN3C=NN=C23)C1	REAL300003091331	0	39	-2.0	-123.79	307.75	9.62	-114.17
CC1=CC=CC(C(O)C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003091332	0	40	-2.0	-105.82	323.05	7.30	-98.52
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=C(CCCC3=O)N2)C1	REAL300003091333	0	40	-2.0	-112.60	327.34	8.58	-104.02
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=COC(CN3C=CC=N3)=C2)C1	REAL300003091334	0	40	-2.0	-123.85	340.87	7.53	-116.32
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C(O)CC2=CC=CC=C2)C1	REAL300003091335	0	40	-2.0	-107.85	327.22	7.07	-100.78
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C3NCCCN3N=C2)C1	REAL300003091336	0	39	-2.0	-116.18	313.32	6.16	-110.02
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CNC(C3=CC=CC=C3)=C2)C1	REAL300003091337	0	41	-2.0	-123.04	340.02	9.22	-113.82
CC(C)(C)C1CCC(C(O)C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300003091338	0	55	-2.0	-114.11	392.52	8.60	-105.51
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC(=O)C2=CC=C(Cl)C=C2)C1	REAL300003091339	0	41	-2.0	-105.25	358.69	10.74	-94.51
CC(C)S(=O)(=O)NC1=CC=CC(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003091340	0	47	-2.0	-113.46	391.81	6.05	-107.41
CCOC1=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C=CS1	REAL300003091341	0	37	-2.0	-118.30	318.35	8.07	-110.23
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=C3NC=CC3=CC(F)=C2)C1	REAL300003091342	0	37	-2.0	-118.01	311.90	7.54	-110.47
CCC1=NNC(CC)=C1CC(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003091343	0	45	-2.0	-111.27	361.47	7.58	-103.69
CN(C)C1=NC2=C(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])C=CC=C2O1	REAL300003091344	0	43	-2.0	-126.81	352.99	7.24	-119.57
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)[C@@H](O)CC2=CC3=CC=CC=C3C=C2)C1	REAL300003091345	0	46	-2.0	-109.65	373.43	9.83	-99.82
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)[C@@H]2C[C@H]2C2=CC=C(Cl)C=C2)C1	REAL300003091346	0	40	-2.0	-108.50	343.47	10.33	-98.17
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)C1	REAL300003091349	0	40	-2.0	-109.54	327.93	9.94	-99.60
CCC(=CC1=CC=CC=C1)C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003091350	0	43	-2.0	-117.53	346.26	10.17	-107.36
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)[C@@H]2C[C@H]2C2=CC=CC(Br)=C2)C1	REAL300003091351	0	40	-2.0	-110.92	348.30	10.43	-100.49
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2CCC3=NN=CN3C2)C1	REAL300003091352	0	39	-2.0	-102.52	313.41	9.49	-93.03
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)C1	REAL300003091353	0	40	-2.0	-109.54	327.93	9.94	-99.60
CN(C)CC1=CC=C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])O1	REAL300003091354	0	41	-2.0	-112.66	334.19	6.49	-106.17
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC3=CC=C(O)C=C3N2)C1	REAL300003091355	0	38	-2.0	-110.68	322.42	5.99	-104.69
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)[C@H]2C[C@@H]2C2=CC=CC=C2)C1	REAL300003091356	0	40	-2.0	-109.57	326.54	9.81	-99.76
CC1C(C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])C1C1=CC=CC=C1	REAL300003091357	0	43	-2.0	-110.34	346.64	11.28	-99.06
CCC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N1CC(C(=O)[O-])CCC1C(=O)[O-]	REAL300003091358	0	46	-2.0	-111.28	364.24	11.04	-100.24
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)[C@@H]2C[C@H]2C2=CC=CC=C2F)C1	REAL300003091359	0	40	-2.0	-115.04	332.55	9.85	-105.19
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)[C@@H]2C[C@H]2C2=CC=CC(O)=C2)C1	REAL300003091360	0	41	-2.0	-111.62	338.03	8.01	-103.61
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C23CC(C2)CN3C2CC2)C1	REAL300003091361	1	43	-2.0	-113.56	330.76	8.34	-105.22
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)[C@H]2C[C@H](N3C=NN=C3)C2)C1	REAL300003091362	0	39	-2.0	-106.22	319.88	10.54	-95.68
COC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CC(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300003091363	0	44	-2.0	-112.45	356.51	10.16	-102.29
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)[C@@H]2C[C@H]2C2=CC=C(Cl)C(Cl)=C2)C1	REAL300003091364	0	40	-2.0	-106.59	358.92	11.83	-94.76
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)[C@@H]2C[C@H]2C2=CC=C(Br)C=C2)C1	REAL300003091365	0	40	-2.0	-108.50	348.03	10.44	-98.06
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCN(C(C)CC(=O)[O-])CC2)=C1	REAL300003091973	1	49	-2.0	-98.09	391.41	3.89	-94.20
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCN(C(C)CC(=O)[O-])CC1	REAL300003092258	1	49	-2.0	-101.42	390.87	3.61	-97.81
CC(CC(=O)[O-])N1CCN(C(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)CC1	REAL300003092950	1	46	-2.0	-100.05	369.41	2.71	-97.34
CC(CC(=O)[O-])N1CCN(C(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)CC1	REAL300003093511	1	46	-2.0	-92.77	376.42	3.29	-89.48
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCN(C(C)CC(=O)[O-])CC1	REAL300003093516	1	52	-2.0	-101.90	412.37	4.39	-97.51
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCN(C(C)CC(=O)[O-])CC2)=N1	REAL300003094950	0	49	-2.0	-108.76	394.34	7.07	-101.69
CC(CC(=O)[O-])N1CCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CC1	REAL300003094955	0	46	-2.0	-108.03	371.68	5.67	-102.36
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCN(C(C)CC(=O)[O-])CC3)=N2)=C1	REAL300003095160	0	49	-2.0	-112.65	390.02	6.26	-106.39
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCN(C(C)CC(=O)[O-])CC2)=N1	REAL300003095161	0	52	-2.0	-113.21	405.95	7.74	-105.47
CC(CC(=O)[O-])N1CCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)CC1	REAL300003095300	1	39	-2.0	-88.90	327.76	4.30	-84.60
CC(CC(=O)[O-])N1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300003095416	1	42	-2.0	-95.43	333.58	3.44	-91.99
CC(CC(=O)[O-])N1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300003095416	1	42	-2.0	-95.46	333.64	3.45	-92.01
CC(CC(=O)[O-])N1CCN(C(=O)C2=CC=C([O-])C(Cl)=C2)CC1	REAL300003095454	1	39	-2.0	-89.64	321.96	4.64	-85.00
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCN(C(C)CC(=O)[O-])CC3)=N2)C=C1	REAL300003095468	0	50	-2.0	-109.11	394.30	4.87	-104.24
CC(CC(=O)[O-])N1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300003095655	0	42	-2.0	-86.37	341.16	3.69	-82.68
CC(CC(=O)[O-])N1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300003095655	1	42	-2.0	-86.33	341.23	3.70	-82.63
CC(CC(=O)[O-])N1CCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300003096352	1	39	-2.0	-95.13	339.81	6.11	-89.02
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)=C1	REAL300003097564	0	49	-2.0	-99.75	387.57	3.23	-96.52
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1	REAL300003097849	0	49	-2.0	-100.42	386.32	3.43	-96.99
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)O1	REAL300003098288	1	43	-2.0	-86.12	352.15	-0.39	-86.51
CC(C)(C(=O)[O-])N1CCN(C(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)CC1	REAL300003098541	0	46	-2.0	-98.98	364.85	2.53	-96.45
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)=CS1	REAL300003098878	1	50	-2.0	-101.74	397.11	4.15	-97.59
CC(C)(C(=O)[O-])N1CCN(C(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)CC1	REAL300003099102	0	46	-2.0	-93.12	372.60	2.65	-90.47
CC1=C(CC(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003099104	1	52	-2.0	-106.43	407.10	4.33	-102.10
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1	REAL300003099107	0	52	-2.0	-101.34	409.15	4.24	-97.10
CC1=C(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300003099190	1	52	-2.0	-102.07	395.34	3.99	-98.08
CC(C)(C(=O)[O-])N1CCN(C(=O)C2=CC=C([O-])C(F)=C2)CC1	REAL300003100231	1	39	-2.0	-92.90	306.88	3.56	-89.34
CC(C)(C(=O)[O-])N1CCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CC1	REAL300003100243	1	42	-2.0	-100.59	342.24	4.98	-95.61
CC(C)(C(=O)[O-])N1CCN(C(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)CC1	REAL300003100356	0	45	-2.0	-98.29	362.18	1.56	-96.73
CC(C)(C(=O)[O-])N1CCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)CC1	REAL300003100390	1	44	-2.0	-100.31	348.06	3.09	-97.22
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)=N1	REAL300003100541	0	49	-2.0	-107.42	392.50	5.88	-101.54
CC(C)(C(=O)[O-])N1CCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CC1	REAL300003100546	0	46	-2.0	-111.21	366.55	5.47	-105.74
CC(C)(C(=O)[O-])N1CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)CC1	REAL300003100587	1	44	-2.0	-112.38	342.36	6.06	-106.32
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCN(C(C)(C)C(=O)[O-])CC3)=N2)=C1	REAL300003100751	0	49	-2.0	-113.46	384.89	6.04	-107.42
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)=N1	REAL300003100752	0	52	-2.0	-112.61	406.21	6.53	-106.08
CC(C)(C(=O)[O-])N1CCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)CC1	REAL300003100891	0	39	-2.0	-89.89	322.89	4.11	-85.78
COC1=C(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)NC(=O)[N-]C1=O	REAL300003100908	1	42	-2.0	-88.19	336.74	-1.87	-90.06
CC(C)(C(=O)[O-])N1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300003101007	0	42	-2.0	-91.02	327.69	2.81	-88.21
CC(C)(C(=O)[O-])N1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300003101007	1	42	-2.0	-91.04	327.74	2.82	-88.22
CC(C)(C(=O)[O-])N1CCN(C(=O)C2=CC=C([O-])C(Cl)=C2)CC1	REAL300003101045	0	39	-2.0	-89.83	316.68	4.04	-85.79
CCOC1=CC(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)=CC(Cl)=C1[O-]	REAL300003101049	1	46	-2.0	-94.85	367.73	5.08	-89.77
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCN(C(C)(C)C(=O)[O-])CC3)=N2)C=C1	REAL300003101059	0	50	-2.0	-110.44	389.62	4.69	-105.75
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)=CO1	REAL300003101083	1	43	-2.0	-92.75	352.19	-0.51	-93.26
CC(C)(C(=O)[O-])N1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300003101246	0	42	-2.0	-83.24	335.35	3.08	-80.16
CC(C)(C(=O)[O-])N1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300003101246	1	42	-2.0	-83.16	335.42	3.08	-80.08
COCC1=NC=C(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)C(=O)[N-]1	REAL300003101576	1	44	-2.0	-92.58	342.43	0.55	-92.03
CC(C)(C(=O)[O-])N1CCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)CC1	REAL300003101624	1	47	-2.0	-99.95	363.92	3.64	-96.31
CC(C)(C(=O)[O-])N1CCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300003101943	0	39	-2.0	-96.66	336.33	5.00	-91.66
CC1=C(CCC(=O)NCC2=C(C(=O)[O-])OC=C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300003108396	1	48	-2.0	-115.36	401.45	5.33	-110.03
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2=C(C(=O)[O-])OC=C2)=C1	REAL300003108756	0	38	-2.0	-111.91	343.60	3.15	-108.76
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=C(C(=O)[O-])OC=C1	REAL300003109069	0	38	-2.0	-112.75	343.68	3.38	-109.37
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC2=C(C(=O)[O-])OC=C2)C=C1	REAL300003109118	1	40	-2.0	-124.99	366.04	8.30	-116.69
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=C(C(=O)[O-])OC=C2)O1	REAL300003109568	1	41	-2.0	-102.77	370.11	1.58	-101.19
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=C(C(=O)[O-])OC=C2)O1	REAL300003109569	1	32	-2.0	-101.85	314.66	-0.83	-102.68
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2=C(C(=O)[O-])OC=C2)=C1	REAL300003109802	0	42	-2.0	-118.52	378.56	1.36	-117.16
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=C(C(=O)[O-])OC=C1	REAL300003109847	0	35	-2.0	-111.15	322.22	2.48	-108.67
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC2=C(C(=O)[O-])OC=C2)=CS1	REAL300003110222	1	39	-2.0	-106.18	356.40	3.58	-102.60
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCC1=C(C(=O)[O-])OC=C1	REAL300003110456	0	35	-2.0	-105.19	328.63	2.55	-102.64
CC1=C(CC(=O)NCC2=C(C(=O)[O-])OC=C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003110462	1	41	-2.0	-111.03	366.34	3.73	-107.30
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=C(C(=O)[O-])OC=C1	REAL300003110467	0	41	-2.0	-113.16	365.18	4.16	-109.00
CC1=C(C(=O)NCC2=C(C(=O)[O-])OC=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300003110537	1	41	-2.0	-115.19	346.57	3.95	-111.24
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NCC1=C(C(=O)[O-])OC=C1	REAL300003111266	0	41	-2.0	-115.60	368.10	4.73	-110.87
O=C([O-])C1=C(CNC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C=CO1	REAL300003111458	1	31	-2.0	-111.86	298.36	5.95	-105.91
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC2=C(C(=O)[O-])OC=C2)C=N1	REAL300003111556	0	34	-2.0	-106.29	323.26	1.50	-104.79
O=C([O-])C1=C(CNC(=O)C2=CN=C(C3CC3)[N-]C2=O)C=CO1	REAL300003111586	1	33	-2.0	-113.31	301.08	2.91	-110.40
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCC3=C(C(=O)[O-])OC=C3)=N2)=C1	REAL300003111641	0	44	-2.0	-129.27	382.86	6.54	-122.73
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC3=C(C(=O)[O-])OC=C3)=N2)C=C1	REAL300003111642	0	44	-2.0	-127.17	382.79	6.54	-120.63
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC2=C(C(=O)[O-])OC=C2)=N1	REAL300003111716	0	38	-2.0	-123.01	350.35	5.65	-117.36
O=C([O-])C1=C(CNC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C=CO1	REAL300003111720	0	35	-2.0	-126.76	329.01	4.69	-122.07
O=C([O-])C1=C(CNC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C=CO1	REAL300003111744	1	33	-2.0	-127.86	302.17	5.57	-122.29
O=C([O-])C1=C(CNC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)C=CO1	REAL300003111763	0	35	-2.0	-94.01	344.48	2.79	-91.22
O=C([O-])C1=C(CNC(=O)C2=CN=C(I)C([O-])=C2)C=CO1	REAL300003111812	0	27	-2.0	-98.46	283.73	2.53	-95.93
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC3=C(C(=O)[O-])OC=C3)=N2)=C1	REAL300003111874	0	38	-2.0	-131.48	347.35	5.27	-126.21
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC2=C(C(=O)[O-])OC=C2)=N1	REAL300003111875	0	41	-2.0	-130.33	363.85	6.36	-123.97
CC1=C(CC(=O)NCC2=C(C(=O)[O-])OC=C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003111932	1	41	-2.0	-109.05	366.54	3.73	-105.32
O=C([O-])C1=C(CNC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C=CO1	REAL300003111972	0	28	-2.0	-97.80	284.03	3.97	-93.83
COC1=C(C(=O)NCC2=C(C(=O)[O-])OC=C2)NC(=O)[N-]C1=O	REAL300003111980	1	31	-2.0	-100.04	290.00	-0.95	-100.99
CCOC1=CC(C(=O)NCC2=C(C(=O)[O-])OC=C2)=CC(Cl)=C1[O-]	REAL300003112084	1	35	-2.0	-103.18	328.87	4.93	-98.25
O=C([O-])C1=C(CNC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])C=CO1	REAL300003112088	0	38	-2.0	-133.63	352.50	6.06	-127.57
COC1=CC=C(N2C=C([O-])C(C(=O)NCC3=C(C(=O)[O-])OC=C3)=N2)C=C1	REAL300003112096	0	39	-2.0	-126.94	352.08	3.92	-123.02
C[N-]S(=O)(=O)C1=CC(C(=O)NCC2=C(C(=O)[O-])OC=C2)=CO1	REAL300003112117	1	32	-2.0	-100.90	313.79	-0.85	-101.75
O=C([O-])C1=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=CO1	REAL300003112243	0	31	-2.0	-93.72	297.57	2.05	-91.67
O=C([O-])C1=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=CO1	REAL300003112243	1	31	-2.0	-93.68	297.63	2.05	-91.63
COCC1=NC=C(C(=O)NCC2=C(C(=O)[O-])OC=C2)C(=O)[N-]1	REAL300003112509	1	33	-2.0	-112.02	302.92	0.56	-111.46
O=C([O-])C1=C(CNC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C=CO1	REAL300003112546	1	36	-2.0	-113.44	316.83	3.46	-109.98
O=C([O-])C1=C(CNC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C=CO1	REAL300003112802	0	28	-2.0	-108.72	292.43	5.99	-102.73
CC1=C(C(=O)NCC2=C(C(=O)[O-])OC=C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300003113059	0	36	-2.0	-117.59	326.53	3.06	-114.53
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300003114187	1	44	-2.0	-97.33	377.76	4.85	-92.48
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=NN(C(C)(C)C(=O)[O-])C=C1	REAL300003114486	1	44	-2.0	-98.41	377.84	5.07	-93.34
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)O1	REAL300003114944	1	47	-2.0	-84.91	400.97	3.35	-81.56
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)O1	REAL300003114945	1	38	-2.0	-84.64	347.36	0.81	-83.83
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)=N1	REAL300003115206	0	41	-2.0	-96.48	354.92	4.12	-92.36
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)=CS1	REAL300003115546	1	45	-2.0	-99.36	389.13	5.23	-94.13
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)=N1	REAL300003115776	0	41	-2.0	-90.76	362.77	4.24	-86.52
CC1=C(CC(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003115778	1	47	-2.0	-104.56	400.48	5.43	-99.13
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=NN(C(C)(C)C(=O)[O-])C=C1	REAL300003115781	1	47	-2.0	-98.19	397.89	5.81	-92.38
CC1=C(C(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300003115864	1	47	-2.0	-91.74	379.75	5.62	-86.12
COC1=CC=C(C(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)C([O-])=C1	REAL300003116369	1	38	-2.0	-105.70	321.77	5.80	-99.90
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C2=CC=C([O-])C(F)=C2)=N1	REAL300003116922	1	34	-2.0	-89.18	303.71	5.21	-83.97
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])=N1	REAL300003116934	1	37	-2.0	-97.61	332.50	7.53	-90.08
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)=N1	REAL300003117040	0	40	-2.0	-90.67	357.38	3.20	-87.47
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)=N1	REAL300003117075	1	39	-2.0	-91.46	334.98	4.68	-86.78
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3=NN(C(C)(C)C(=O)[O-])C=C3)=N2)=C1	REAL300003117133	0	50	-2.0	-108.67	415.57	8.18	-100.49
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=NN(C(C)(C)C(=O)[O-])C=C3)=N2)C=C1	REAL300003117134	0	50	-2.0	-107.40	415.50	8.18	-99.22
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)=N1	REAL300003117230	0	44	-2.0	-104.50	379.06	7.31	-97.19
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])=N1	REAL300003117235	0	41	-2.0	-106.18	363.16	6.38	-99.80
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)=N1	REAL300003117277	0	39	-2.0	-108.00	334.87	7.11	-100.89
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=NN(C(C)(C)C(=O)[O-])C=C3)=N2)=C1	REAL300003117442	0	44	-2.0	-111.67	380.06	6.91	-104.76
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)=N1	REAL300003117443	0	47	-2.0	-109.36	389.58	8.05	-101.31
CC1=C(CC(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003117520	1	47	-2.0	-103.43	400.67	5.42	-98.01
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)=N1	REAL300003117582	0	34	-2.0	-85.01	318.15	5.69	-79.32
CC(C)(C(=O)[O-])N1C=CC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL300003117698	0	37	-2.0	-94.53	321.18	3.96	-90.57
CC(C)(C(=O)[O-])N1C=CC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL300003117698	1	37	-2.0	-94.47	321.12	3.95	-90.52
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C2=CC=C([O-])C(Cl)=C2)=N1	REAL300003117735	0	34	-2.0	-85.83	313.50	5.69	-80.14
CCOC1=CC(C(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)=CC(Cl)=C1[O-]	REAL300003117739	1	41	-2.0	-88.76	362.99	6.65	-82.11
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=NN(C(C)(C)C(=O)[O-])C=C3)=N2)C=C1	REAL300003117749	0	45	-2.0	-108.02	386.23	5.62	-102.40
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)=CO1	REAL300003117773	1	38	-2.0	-91.29	347.92	0.85	-90.44
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)=N1	REAL300003117866	0	42	-2.0	-94.29	358.94	9.49	-84.80
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)=N1	REAL300003117866	1	42	-2.0	-94.30	358.99	9.46	-84.84
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL300003117939	0	37	-2.0	-80.74	331.71	3.75	-76.99
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL300003117939	1	37	-2.0	-80.75	331.78	3.77	-76.98
COCC1=NC=C(C(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)C(=O)[N-]1	REAL300003118274	1	39	-2.0	-90.49	337.09	2.27	-88.22
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)=N1	REAL300003118322	1	42	-2.0	-90.59	349.55	5.11	-85.48
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=N1	REAL300003118644	0	34	-2.0	-93.40	325.13	7.52	-85.88
CC1=C(CCC(=O)NCC(CC(=O)[O-])C2CC2)C(=O)NC(N2CCOCC2)=N1	REAL300003119625	0	54	-2.0	-102.32	429.79	7.00	-95.32
CC1=C(CCC(=O)NCC(CC(=O)[O-])C2CC2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300003119625	1	54	-2.0	-102.32	429.79	7.00	-95.32
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC(CC(=O)[O-])C2CC2)=C1	REAL300003119978	0	44	-2.0	-109.43	371.96	4.82	-104.61
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(CC(=O)[O-])C1CC1	REAL300003120290	0	44	-2.0	-98.05	370.45	5.08	-92.97
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC(CC(=O)[O-])C2CC2)C=C1	REAL300003120340	1	46	-2.0	-109.33	394.37	10.01	-99.32
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(CC(=O)[O-])C2CC2)O1	REAL300003120792	1	47	-2.0	-94.56	396.88	3.29	-91.27
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(CC(=O)[O-])C2CC2)O1	REAL300003120793	1	38	-2.0	-93.92	341.43	0.88	-93.04
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC(CC(=O)[O-])C2CC2)=C1	REAL300003121024	0	48	-2.0	-115.33	407.36	3.08	-112.25
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(CC(=O)[O-])C1CC1	REAL300003121070	0	41	-2.0	-108.85	350.57	4.14	-104.71
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC(CC(=O)[O-])C2CC2)=CS1	REAL300003121444	1	45	-2.0	-110.38	384.76	5.24	-105.14
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCC(CC(=O)[O-])C1CC1	REAL300003121679	0	41	-2.0	-101.62	356.98	4.21	-97.41
CC1=C(CC(=O)NCC(CC(=O)[O-])C2CC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003121684	1	47	-2.0	-118.46	395.60	5.44	-113.02
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(CC(=O)[O-])C1CC1	REAL300003121688	0	47	-2.0	-98.47	391.95	5.87	-92.60
CC1=C(C(=O)NCC(CC(=O)[O-])C2CC2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300003121759	1	47	-2.0	-102.50	374.83	5.63	-96.87
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NCC(CC(=O)[O-])C1CC1	REAL300003122509	0	47	-2.0	-113.94	396.46	6.40	-107.54
O=C([O-])CC(CNC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1CC1	REAL300003122704	1	37	-2.0	-96.43	325.12	7.67	-88.76
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC(CC(=O)[O-])C2CC2)C=N1	REAL300003122803	0	40	-2.0	-98.46	351.60	3.16	-95.30
O=C([O-])CC(CNC(=O)C1=CN=C(C2CC2)[N-]C1=O)C1CC1	REAL300003122834	1	39	-2.0	-100.47	328.38	5.79	-94.68
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCC(CC(=O)[O-])C3CC3)=N2)=C1	REAL300003122888	0	50	-2.0	-123.23	411.22	8.22	-115.01
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC(CC(=O)[O-])C3CC3)=N2)C=C1	REAL300003122889	0	50	-2.0	-122.04	411.15	8.22	-113.82
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC(CC(=O)[O-])C2CC2)=N1	REAL300003122965	0	44	-2.0	-118.69	378.70	7.40	-111.29
O=C([O-])CC(CNC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1CC1	REAL300003122970	0	41	-2.0	-120.02	357.37	6.37	-113.65
O=C([O-])CC(CNC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1CC1	REAL300003122994	1	39	-2.0	-123.60	330.52	7.24	-116.36
O=C([O-])CC(CNC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C1CC1	REAL300003123014	0	41	-2.0	-91.98	372.83	4.46	-87.52
O=C([O-])CC(CNC(=O)C1=CN=C(I)C([O-])=C1)C1CC1	REAL300003123063	0	33	-2.0	-87.43	310.50	4.25	-83.18
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC(CC(=O)[O-])C3CC3)=N2)=C1	REAL300003123126	0	44	-2.0	-126.64	375.71	6.94	-119.70
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC(CC(=O)[O-])C2CC2)=N1	REAL300003123127	0	47	-2.0	-124.94	392.86	8.07	-116.87
CC1=C(CC(=O)NCC(CC(=O)[O-])C2CC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003123187	1	47	-2.0	-117.18	394.87	5.39	-111.79
O=C([O-])CC(CNC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1CC1	REAL300003123230	0	34	-2.0	-88.29	310.80	5.68	-82.61
COC1=C(C(=O)NCC(CC(=O)[O-])C2CC2)NC(=O)[N-]C1=O	REAL300003123238	1	37	-2.0	-92.01	316.79	0.75	-91.26
CCOC1=CC(C(=O)NCC(CC(=O)[O-])C2CC2)=CC(Cl)=C1[O-]	REAL300003123345	1	41	-2.0	-93.14	355.65	6.65	-86.49
O=C([O-])CC(CNC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C1CC1	REAL300003123349	0	44	-2.0	-126.60	380.85	7.73	-118.87
COC1=CC=C(N2C=C([O-])C(C(=O)NCC(CC(=O)[O-])C3CC3)=N2)C=C1	REAL300003123357	0	45	-2.0	-121.90	380.44	5.59	-116.31
C[N-]S(=O)(=O)C1=CC(C(=O)NCC(CC(=O)[O-])C2CC2)=CO1	REAL300003123377	1	38	-2.0	-99.13	342.14	0.81	-98.32
O=C([O-])CC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL300003123508	0	37	-2.0	-87.31	325.92	3.72	-83.59
O=C([O-])CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL300003123508	1	37	-2.0	-87.28	325.99	3.72	-83.56
COCC1=NC=C(C(=O)NCC(CC(=O)[O-])C2CC2)C(=O)[N-]1	REAL300003123780	1	39	-2.0	-99.18	330.48	3.38	-95.80
O=C([O-])CC(CNC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1CC1	REAL300003123819	1	42	-2.0	-101.37	345.67	5.19	-96.18
O=C([O-])CC(CNC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CC1	REAL300003124080	0	34	-2.0	-93.68	319.19	7.71	-85.97
CC1=C(C(=O)NCC(CC(=O)[O-])C2CC2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300003124341	0	42	-2.0	-104.45	353.13	4.77	-99.68
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC(C)(CCF)C(=O)[O-])C=C1	REAL300003125414	1	42	-2.0	-110.83	358.27	9.10	-101.73
CC(CCF)(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300003125559	1	44	-2.0	-104.55	375.32	6.16	-98.39
CC(CCF)(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300003125560	1	44	-2.0	-111.90	375.49	6.16	-105.74
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C)(CCF)C(=O)[O-])O1	REAL300003125770	1	43	-2.0	-93.86	362.67	2.41	-91.45
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C)(CCF)C(=O)[O-])O1	REAL300003125771	1	34	-2.0	-92.43	307.22	0.00	-92.43
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(C)(CCF)C(=O)[O-])=CS1	REAL300003126252	1	41	-2.0	-115.64	348.96	4.35	-111.29
CC(CCF)(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300003126560	1	44	-2.0	-98.77	375.48	6.16	-92.61
CC(CCF)(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300003127123	1	33	-2.0	-117.91	290.91	6.29	-111.62
CC(CCF)(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300003127193	0	36	-2.0	-101.05	315.81	2.32	-98.73
CC(CCF)(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300003127239	1	43	-2.0	-94.84	370.52	4.39	-90.45
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC(C)(CCF)C(=O)[O-])=N2)=C1	REAL300003127253	0	46	-2.0	-131.52	375.41	7.38	-124.14
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(C)(CCF)C(=O)[O-])=N2)C=C1	REAL300003127254	0	46	-2.0	-130.16	375.35	7.38	-122.78
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(C)(CCF)C(=O)[O-])=N1	REAL300003127300	0	40	-2.0	-126.84	342.88	6.47	-120.37
CC(CCF)(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300003127304	0	37	-2.0	-127.89	321.56	5.53	-122.36
CC(CCF)(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(=O)[O-]	REAL300003127320	1	35	-2.0	-131.52	294.72	5.92	-125.60
CC(CCF)(NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300003127337	0	37	-2.0	-95.74	337.03	3.58	-92.16
CC(CCF)(NC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300003127372	0	29	-2.0	-99.19	276.28	3.32	-95.87
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(C)(CCF)C(=O)[O-])=N2)=C1	REAL300003127411	0	40	-2.0	-135.11	339.90	6.10	-129.01
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(C)(CCF)C(=O)[O-])=N1	REAL300003127412	0	43	-2.0	-133.54	356.41	7.19	-126.35
CC(CCF)(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300003127470	0	30	-2.0	-95.82	276.57	4.78	-91.04
COC1=C(C(=O)NC(C)(CCF)C(=O)[O-])NC(=O)[N-]C1=O	REAL300003127473	1	33	-2.0	-95.93	282.73	-0.62	-96.55
CCOC1=CC(C(=O)NC(C)(CCF)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300003127536	1	37	-2.0	-100.26	321.42	5.75	-94.51
CC(CCF)(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300003127539	0	40	-2.0	-134.71	345.05	6.90	-127.81
COC1=CC=C(N2C=C([O-])C(C(=O)NC(C)(CCF)C(=O)[O-])=N2)C=C1	REAL300003127544	0	41	-2.0	-129.79	344.64	4.76	-125.03
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C)(CCF)C(=O)[O-])=CO1	REAL300003127554	1	34	-2.0	-102.72	306.34	-0.03	-102.75
CC(CCF)(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300003127648	0	33	-2.0	-87.76	290.12	2.85	-84.91
CC(CCF)(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300003127648	1	33	-2.0	-87.78	290.19	2.87	-84.91
COCC1=NC=C(C(=O)NC(C)(CCF)C(=O)[O-])C(=O)[N-]1	REAL300003127837	1	35	-2.0	-103.91	295.51	1.29	-102.62
CC(CCF)(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300003128037	0	30	-2.0	-113.15	284.96	6.33	-106.82
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H](C(=O)[O-])C2=CC=CC(OC)=C2)O1	REAL300003129448	1	39	-2.0	-101.89	361.51	0.66	-101.23
COC1=CC=CC([C@H](NC(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)C(=O)[O-])=C1	REAL300003129893	1	46	-2.0	-118.80	403.87	5.01	-113.79
COC1=CC=CC([C@H](NC(=O)C2=CC=C([O-])C(F)=C2)C(=O)[O-])=C1	REAL300003130976	1	35	-2.0	-107.81	315.51	4.85	-102.96
COC1=CC=CC([C@H](NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C(=O)[O-])=C1	REAL300003130987	1	38	-2.0	-125.97	345.80	7.38	-118.59
COC1=CC=CC([C@H](NC(=O)CCC2=N[N-]N=N2)C(=O)[O-])=C1	REAL300003131021	0	35	-2.0	-102.48	312.96	2.91	-99.57
COC1=CC=CC([C@H](NC(=O)CCC2=NN=N[N-]2)C(=O)[O-])=C1	REAL300003131021	1	35	-2.0	-102.49	313.02	2.91	-99.58
COC1=CC=CC([C@H](NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C(=O)[O-])=C1	REAL300003131091	0	41	-2.0	-110.05	370.71	2.96	-107.09
COC1=CC=CC([C@H](NC(=O)C2=CN=C(C3CC3)[N-]C2=O)C(=O)[O-])=C1	REAL300003131116	1	40	-2.0	-118.91	348.04	4.38	-114.53
COC1=CC=CC([C@H](NC(=O)C2=CN=CC([O-])=C2)C(=O)[O-])=C1	REAL300003131153	1	34	-2.0	-110.21	303.72	3.01	-107.20
COC1=CC=CC([C@H](NC(=O)C2=NN(C3=CC=C(F)C=C3C)C=C2[O-])C(=O)[O-])=C1	REAL300003131234	0	45	-2.0	-135.25	392.39	7.06	-128.19
COC1=CC=CC([C@H](NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C(=O)[O-])=C1	REAL300003131239	0	42	-2.0	-136.82	375.90	6.18	-130.64
COC1=CC=CC([C@H](NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C(=O)[O-])=C1	REAL300003131270	1	40	-2.0	-142.85	349.02	7.05	-135.80
COC1=CC=CC([C@H](NC(=O)C2=NN(C3=CC(C)=CC=C3F)C=C2[O-])C(=O)[O-])=C1	REAL300003131409	0	45	-2.0	-144.35	394.23	6.76	-137.59
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@H](C(=O)[O-])C2=CC=CC(OC)=C2)=N1	REAL300003131410	0	48	-2.0	-142.76	404.35	7.84	-134.92
COC1=CC=CC([C@H](NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C(=O)[O-])=C1	REAL300003131521	0	35	-2.0	-102.65	330.88	5.46	-97.19
COC1=CC=CC([C@H](NC(=O)C2=C(OC)C(=O)[N-]C(=O)N2)C(=O)[O-])=C1	REAL300003131533	1	38	-2.0	-103.25	337.04	0.52	-102.73
COC1=CC=CC([C@H](NC(=O)CCCC2=N[N-]N=N2)C(=O)[O-])=C1	REAL300003131611	0	38	-2.0	-111.30	334.46	3.68	-107.62
COC1=CC=CC([C@H](NC(=O)CCCC2=NN=N[N-]2)C(=O)[O-])=C1	REAL300003131611	1	38	-2.0	-111.31	334.51	3.70	-107.61
COC1=CC=CC([C@H](NC(=O)C2=CC=C([O-])C(Cl)=C2)C(=O)[O-])=C1	REAL300003131643	0	35	-2.0	-105.29	325.31	5.34	-99.95
CCOC1=CC(C(=O)N[C@H](C(=O)[O-])C2=CC=CC(OC)=C2)=CC(Cl)=C1[O-]	REAL300003131647	1	42	-2.0	-108.34	376.33	6.39	-101.95
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@H](C(=O)[O-])C3=CC=CC(OC)=C3)=N2)C=C1	REAL300003131653	0	46	-2.0	-139.29	398.96	5.42	-133.87
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@H](C(=O)[O-])C2=CC=CC(OC)=C2)=CO1	REAL300003131669	1	39	-2.0	-108.61	361.28	0.58	-108.03
COC1=CC=CC([C@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(=O)[O-])=C1	REAL300003131810	0	38	-2.0	-96.62	345.02	3.49	-93.13
COC1=CC=CC([C@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(=O)[O-])=C1	REAL300003131810	1	38	-2.0	-96.58	345.09	3.49	-93.09
COC1=CC=CC([C@H](NC(=O)C2=C[N-]N=CC2=O)C(=O)[O-])=C1	REAL300003132048	0	33	-2.0	-108.21	295.96	3.44	-104.77
COCC1=NC=C(C(=O)N[C@H](C(=O)[O-])C2=CC=CC(OC)=C2)C(=O)[N-]1	REAL300003132072	1	40	-2.0	-118.29	350.48	2.00	-116.29
COC1=CC=CC([C@H](NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C(=O)[O-])=C1	REAL300003132115	1	43	-2.0	-119.15	363.79	4.94	-114.21
COC1=CC=CC([C@H](NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C(=O)[O-])=C1	REAL300003132362	0	35	-2.0	-121.98	339.88	7.42	-114.56
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300003134980	0	44	-2.0	-97.46	386.35	5.72	-91.74
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=CC=C(CC(=O)[O-])C=C1	REAL300003135278	0	44	-2.0	-98.39	386.42	5.94	-92.45
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300003135323	1	46	-2.0	-104.14	408.78	10.87	-93.27
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=CC=C(CC(=O)[O-])C=C2)O1	REAL300003135753	1	47	-2.0	-90.10	412.16	4.17	-85.93
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=CC=C(CC(=O)[O-])C=C2)O1	REAL300003135754	1	38	-2.0	-89.64	357.40	1.74	-87.90
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=CC=C(CC(=O)[O-])C=C1	REAL300003136023	0	41	-2.0	-97.10	364.95	5.04	-92.06
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC2=CC=C(CC(=O)[O-])C=C2)=CS1	REAL300003136373	1	45	-2.0	-97.62	399.14	6.14	-91.48
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCC1=CC=C(CC(=O)[O-])C=C1	REAL300003136609	0	41	-2.0	-91.66	371.36	5.10	-86.56
CC1=C(CC(=O)NCC2=CC=C(CC(=O)[O-])C=C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003136612	1	47	-2.0	-102.61	409.08	6.30	-96.31
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=CC=C(CC(=O)[O-])C=C1	REAL300003136615	0	47	-2.0	-98.87	407.91	6.73	-92.14
CC1=C(C(=O)NCC2=CC=C(CC(=O)[O-])C=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300003136696	1	47	-2.0	-92.28	389.04	6.53	-85.75
O=C([O-])CC1=CC=C(CNC(=O)C2=CC=C([O-])C(F)=C2)C=C1	REAL300003137756	1	34	-2.0	-91.06	310.76	5.99	-85.07
O=C([O-])CC1=CC=C(CNC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C=C1	REAL300003137767	1	37	-2.0	-97.04	341.09	8.52	-88.52
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC2=CC=C(CC(=O)[O-])C=C2)C=N1	REAL300003137874	0	40	-2.0	-93.51	366.00	4.06	-89.45
O=C([O-])CC1=CC=C(CNC(=O)C2=CN=C(C3CC3)[N-]C2=O)C=C1	REAL300003137910	1	39	-2.0	-91.21	343.82	5.48	-85.73
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCC3=CC=C(CC(=O)[O-])C=C3)=N2)=C1	REAL300003137968	0	50	-2.0	-108.89	425.60	9.11	-99.78
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC3=CC=C(CC(=O)[O-])C=C3)=N2)C=C1	REAL300003137969	0	50	-2.0	-107.66	425.53	9.11	-98.55
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC2=CC=C(CC(=O)[O-])C=C2)=N1	REAL300003138064	0	44	-2.0	-104.90	393.08	8.21	-96.69
O=C([O-])CC1=CC=C(CNC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C=C1	REAL300003138069	0	41	-2.0	-105.92	371.75	7.26	-98.66
O=C([O-])CC1=CC=C(CNC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C=C1	REAL300003138107	1	39	-2.0	-106.52	344.90	8.14	-98.38
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC3=CC=C(CC(=O)[O-])C=C3)=N2)=C1	REAL300003138273	0	44	-2.0	-112.01	390.09	7.84	-104.17
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC2=CC=C(CC(=O)[O-])C=C2)=N1	REAL300003138274	0	47	-2.0	-110.07	406.59	8.92	-101.15
CC1=C(CC(=O)NCC2=CC=C(CC(=O)[O-])C=C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003138351	1	47	-2.0	-101.44	409.26	6.29	-95.15
O=C([O-])CC1=CC=C(CNC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C=C1	REAL300003138411	0	34	-2.0	-88.17	326.77	6.52	-81.65
COC1=C(C(=O)NCC2=CC=C(CC(=O)[O-])C=C2)NC(=O)[N-]C1=O	REAL300003138427	1	37	-2.0	-91.37	332.92	1.61	-89.76
O=C([O-])CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300003138528	0	37	-2.0	-94.05	329.71	4.82	-89.23
O=C([O-])CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300003138528	1	37	-2.0	-94.03	329.77	4.84	-89.19
O=C([O-])CC1=CC=C(CNC(=O)C2=CC=C([O-])C(Cl)=C2)C=C1	REAL300003138564	0	34	-2.0	-87.73	320.56	6.47	-81.26
CCOC1=CC(C(=O)NCC2=CC=C(CC(=O)[O-])C=C2)=CC(Cl)=C1[O-]	REAL300003138567	1	41	-2.0	-92.07	371.61	7.50	-84.57
COC1=CC=C(N2C=C([O-])C(C(=O)NCC3=CC=C(CC(=O)[O-])C=C3)=N2)C=C1	REAL300003138577	0	45	-2.0	-107.70	394.82	6.49	-101.21
C[N-]S(=O)(=O)C1=CC(C(=O)NCC2=CC=C(CC(=O)[O-])C=C2)=CO1	REAL300003138601	1	38	-2.0	-93.49	356.53	1.72	-91.77
O=C([O-])CC1=CC=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300003138767	0	37	-2.0	-84.49	340.30	4.61	-79.88
O=C([O-])CC1=CC=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300003138767	1	37	-2.0	-84.49	340.37	4.62	-79.87
COCC1=NC=C(C(=O)NCC2=CC=C(CC(=O)[O-])C=C2)C(=O)[N-]1	REAL300003139099	1	39	-2.0	-90.59	345.66	3.13	-87.46
O=C([O-])CC1=CC=C(CNC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C=C1	REAL300003139147	1	42	-2.0	-91.27	359.57	6.02	-85.25
O=C([O-])CC1=CC=C(CNC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C=C1	REAL300003139468	0	34	-2.0	-92.93	335.17	8.56	-84.37
CC1=C(CCC(=O)NC2CC=C(C(=O)[O-])C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300003141773	1	49	-2.0	-98.50	399.86	6.14	-92.36
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2CC=C(C(=O)[O-])C2)=C1	REAL300003142119	0	39	-2.0	-98.89	342.07	3.96	-94.93
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1CC=C(C(=O)[O-])C1	REAL300003142423	0	39	-2.0	-99.97	342.11	4.17	-95.80
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2CC=C(C(=O)[O-])C2)C=C1	REAL300003142469	1	41	-2.0	-104.35	364.44	9.10	-95.25
O=C([O-])C1=CCC(NC(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3)C=C2)C1	REAL300003142651	1	43	-2.0	-97.82	381.06	6.18	-91.64
O=C([O-])C1=CCC(NC(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)C1	REAL300003142652	1	43	-2.0	-100.56	381.67	6.18	-94.38
CC1=CC(C(=O)NC2CC=C(C(=O)[O-])C2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300003142665	0	39	-2.0	-83.04	362.66	4.36	-78.68
O=C([O-])C1=CCC(NC(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CS3)C=C2)C1	REAL300003142893	0	40	-2.0	-97.89	372.99	5.18	-92.71
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2CC=C(C(=O)[O-])C2)O1	REAL300003142912	1	42	-2.0	-97.54	368.91	2.38	-95.16
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2CC=C(C(=O)[O-])C2)O1	REAL300003142913	1	33	-2.0	-90.63	313.07	-0.03	-90.66
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2CC=C(C(=O)[O-])C2)=C1	REAL300003143150	0	43	-2.0	-106.47	376.31	2.19	-104.28
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1CC=C(C(=O)[O-])C1	REAL300003143195	0	36	-2.0	-98.56	320.63	3.28	-95.28
O=C([O-])C1=CCC(NC(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CS3)=C2)C1	REAL300003143203	0	40	-2.0	-98.89	373.60	5.18	-93.71
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2CC=C(C(=O)[O-])C2)=CS1	REAL300003143546	1	40	-2.0	-101.02	354.70	4.40	-96.62
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1CC=C(C(=O)[O-])C1	REAL300003143751	0	36	-2.0	-93.01	327.09	3.35	-89.66
CC1=C(CC(=O)NC2CC=C(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003143758	1	42	-2.0	-104.05	365.09	4.54	-99.51
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1CC=C(C(=O)[O-])C1	REAL300003143763	0	42	-2.0	-100.36	363.61	4.96	-95.40
CC1=C(C(=O)NC2CC=C(C(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300003143821	1	42	-2.0	-95.15	344.78	4.77	-90.38
O=C([O-])C1=CCC(NC(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3)C=C2)C1	REAL300003143921	1	43	-2.0	-95.16	381.23	6.17	-88.99
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NC1CC=C(C(=O)[O-])C1	REAL300003144446	0	42	-2.0	-103.60	366.56	5.53	-98.07
O=C([O-])C1=CCC(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300003144605	1	32	-2.0	-96.84	297.16	6.75	-90.09
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2CC=C(C(=O)[O-])C2)C=N1	REAL300003144690	0	35	-2.0	-98.57	322.05	2.32	-96.25
O=C([O-])C1=CCC(NC(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=NC=C3)C=C2)C1	REAL300003144751	1	42	-2.0	-91.63	376.28	4.39	-87.24
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3CC=C(C(=O)[O-])C3)=N2)=C1	REAL300003144766	0	45	-2.0	-110.78	381.28	7.36	-103.42
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3CC=C(C(=O)[O-])C3)=N2)C=C1	REAL300003144767	0	45	-2.0	-109.96	381.09	7.36	-102.60
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2CC=C(C(=O)[O-])C2)=N1	REAL300003144834	0	39	-2.0	-106.66	348.74	6.45	-100.21
O=C([O-])C1=CCC(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1	REAL300003144838	0	36	-2.0	-107.62	327.42	5.51	-102.11
O=C([O-])C1=CCC(NC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)C1	REAL300003144874	0	36	-2.0	-84.98	343.21	3.61	-81.37
O=C([O-])C1=CCC(NC(=O)C2=CN=C(I)C([O-])=C2)C1	REAL300003144910	0	28	-2.0	-89.21	282.51	3.32	-85.89
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3CC=C(C(=O)[O-])C3)=N2)=C1	REAL300003144959	0	39	-2.0	-113.80	345.77	6.09	-107.71
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2CC=C(C(=O)[O-])C2)=N1	REAL300003144960	0	42	-2.0	-112.01	362.28	7.17	-104.84
CC1=C(CC(=O)NC2CC=C(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003144999	1	42	-2.0	-102.70	365.27	4.54	-98.16
CCOC1=CC(C(=O)NC2CC=C(C(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300003145102	1	36	-2.0	-93.41	327.17	5.75	-87.66
O=C([O-])C1=CCC(NC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])C1	REAL300003145106	0	39	-2.0	-114.04	350.91	6.86	-107.18
COC1=CC=C(N2C=C([O-])C(C(=O)NC3CC=C(C(=O)[O-])C3)=N2)C=C1	REAL300003145113	0	40	-2.0	-110.07	350.38	4.74	-105.33
C[N-]S(=O)(=O)C1=CC(C(=O)NC2CC=C(C(=O)[O-])C2)=CO1	REAL300003145130	1	33	-2.0	-94.74	312.26	-0.04	-94.78
O=C([O-])C1=CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300003145247	0	32	-2.0	-85.45	295.98	2.85	-82.60
O=C([O-])C1=CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300003145247	1	32	-2.0	-85.44	296.04	2.86	-82.58
O=C([O-])C1=CCC(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300003145497	1	37	-2.0	-94.03	315.20	4.27	-89.76
O=C([O-])C1=CCC(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300003145694	0	29	-2.0	-95.27	290.85	6.78	-88.49
CC1=C(C(=O)NC2CC=C(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300003145908	0	37	-2.0	-98.20	325.02	3.85	-94.35
CC1=CC=C(C2=NNC(=S)N2CC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C=C1	REAL300003146899	0	44	-2.0	-116.97	381.77	10.71	-106.26
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C=C1	REAL300003146899	1	44	-2.0	-116.97	381.77	10.71	-106.26
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])O1	REAL300003147250	1	45	-2.0	-117.68	382.40	3.88	-113.80
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])O1	REAL300003147251	1	36	-2.0	-115.92	326.95	1.46	-114.46
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])=CS1	REAL300003147726	1	43	-2.0	-115.81	372.44	6.05	-109.76
CC1=C(CC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003147918	1	45	-2.0	-120.00	382.40	6.23	-113.77
O=C([O-])C1C2=C(CCN1C(=O)C1=CC=C([O-])C(F)=C1)OC=C2	REAL300003148822	1	32	-2.0	-104.22	281.21	5.47	-98.75
O=C([O-])C1C2=C(CCN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])OC=C2	REAL300003148831	1	35	-2.0	-127.93	314.00	6.48	-121.45
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C=N1	REAL300003148916	0	38	-2.0	-104.53	336.08	3.45	-101.08
O=C([O-])C1C2=C(CCN1C(=O)C1=CN=C(C3CC3)[N-]C1=O)OC=C2	REAL300003148941	1	37	-2.0	-128.04	322.30	4.78	-123.26
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC4=C(C=CO4)C3C(=O)[O-])=N2)=C1	REAL300003148993	0	48	-2.0	-135.30	395.14	9.11	-126.19
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC4=C(C=CO4)C3C(=O)[O-])=N2)C=C1	REAL300003148994	0	48	-2.0	-130.98	394.66	9.08	-121.90
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])=N1	REAL300003149061	0	42	-2.0	-125.39	359.83	8.13	-117.26
O=C([O-])C1C2=C(CCN1C(=O)C1=NN(C3=CC=CC(F)=C3)C=C1[O-])OC=C2	REAL300003149066	0	39	-2.0	-125.78	341.29	7.26	-118.52
O=C([O-])C1C2=C(CCN1C(=O)C1=C([O-])C3=CC=CC=C3C=N1)OC=C2	REAL300003149096	1	37	-2.0	-128.71	314.32	8.35	-120.36
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC4=C(C=CO4)C3C(=O)[O-])=N2)=C1	REAL300003149233	0	42	-2.0	-135.18	359.63	7.85	-127.33
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])=N1	REAL300003149234	0	45	-2.0	-131.29	380.94	8.39	-122.90
CC1=C(CC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003149293	1	45	-2.0	-118.11	382.59	6.22	-111.89
O=C([O-])C1C2=C(CCN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1)OC=C2	REAL300003149348	0	32	-2.0	-99.66	298.44	6.05	-93.61
COC1=C(C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])NC(=O)[N-]C1=O	REAL300003149359	1	35	-2.0	-100.68	311.46	-0.11	-100.79
O=C([O-])C1C2=C(CCN1C(=O)CCCC1=N[N-]N=N1)OC=C2	REAL300003149436	0	35	-2.0	-110.20	302.45	4.60	-105.60
O=C([O-])C1C2=C(CCN1C(=O)CCCC1=NN=N[N-]1)OC=C2	REAL300003149436	1	35	-2.0	-110.24	302.51	4.62	-105.62
O=C([O-])C1C2=C(CCN1C(=O)C1=CC=C([O-])C(Cl)=C1)OC=C2	REAL300003149466	0	32	-2.0	-102.70	291.00	5.95	-96.75
CCOC1=CC(C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300003149470	1	39	-2.0	-109.67	342.00	7.02	-102.65
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC4=C(C=CO4)C3C(=O)[O-])=N2)C=C1	REAL300003149476	0	43	-2.0	-130.36	363.93	6.46	-123.90
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])=CO1	REAL300003149491	1	36	-2.0	-113.65	323.67	1.28	-112.37
O=C([O-])C1C2=C(CCN1C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)OC=C2	REAL300003149630	0	35	-2.0	-99.15	309.79	4.87	-94.28
O=C([O-])C1C2=C(CCN1C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)OC=C2	REAL300003149630	1	35	-2.0	-99.15	309.85	4.87	-94.28
COCC1=NC=C(C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C(=O)[N-]1	REAL300003149889	1	37	-2.0	-112.79	324.50	2.44	-110.35
O=C([O-])C1C2=C(CCN1C(=O)C1=CN=C(C3CCC3)[N-]C1=O)OC=C2	REAL300003149931	1	40	-2.0	-113.60	338.41	5.34	-108.26
O=C([O-])C1C2=C(CCN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])OC=C2	REAL300003150174	0	32	-2.0	-122.68	308.07	6.54	-116.14
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC3=C(F)C=CC(C(=O)[O-])=C3C2)O1	REAL300003152004	1	39	-2.0	-116.51	346.37	3.34	-113.17
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC2=C(F)C=CC(C(=O)[O-])=C2C1	REAL300003152194	0	42	-2.0	-102.55	360.47	5.89	-96.66
O=C([O-])C1=CC=C(F)C2=C1CN(C(=O)C1=CC=C([O-])C(F)=C1)CC2	REAL300003153723	1	35	-2.0	-102.64	304.01	6.94	-95.70
O=C([O-])C1=CC=C(F)C2=C1CN(C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])CC2	REAL300003153736	1	38	-2.0	-101.53	336.03	8.80	-92.73
O=C([O-])C1=CC=C(F)C2=C1CN(C(=O)CCC1=N[N-]N=N1)CC2	REAL300003153792	0	35	-2.0	-94.16	301.92	5.39	-88.77
O=C([O-])C1=CC=C(F)C2=C1CN(C(=O)CCC1=NN=N[N-]1)CC2	REAL300003153792	1	35	-2.0	-94.18	301.98	5.41	-88.77
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC3=C(F)C=CC(C(=O)[O-])=C3C2)C=N1	REAL300003153872	0	41	-2.0	-115.33	355.71	4.88	-110.45
O=C([O-])C1=CC=C(F)C2=C1CN(C(=O)C1=CN=CC([O-])=C1)CC2	REAL300003153942	1	34	-2.0	-112.03	290.97	5.01	-107.02
O=C([O-])C1=CC=C(F)C2=C1CN(C(=O)C1=NN(C3=CC=CC(F)=C3)C=C1[O-])CC2	REAL300003154054	0	42	-2.0	-123.60	362.53	8.82	-114.78
O=C([O-])C1=CC=C(F)C2=C1CN(C(=O)C1=C([O-])C3=CC=CC=C3C=N1)CC2	REAL300003154100	1	40	-2.0	-112.74	335.39	9.99	-102.75
O=C([O-])C1=CC=C(F)C2=C1CN(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)CC2	REAL300003154388	0	35	-2.0	-101.55	318.91	7.46	-94.09
COC1=C(C(=O)N2CCC3=C(F)C=CC(C(=O)[O-])=C3C2)NC(=O)[N-]C1=O	REAL300003154407	1	38	-2.0	-92.87	332.35	1.46	-91.41
O=C([O-])C1=CC=C(F)C2=C1CN(C(=O)CCCC1=N[N-]N=N1)CC2	REAL300003154503	0	38	-2.0	-107.08	323.40	6.17	-100.91
O=C([O-])C1=CC=C(F)C2=C1CN(C(=O)CCCC1=NN=N[N-]1)CC2	REAL300003154503	1	38	-2.0	-107.05	323.46	6.18	-100.87
O=C([O-])C1=CC=C(F)C2=C1CN(C(=O)C1=CC=C([O-])C(Cl)=C1)CC2	REAL300003154538	0	35	-2.0	-99.93	313.81	7.43	-92.50
CCOC1=CC(C(=O)N2CCC3=C(F)C=CC(C(=O)[O-])=C3C2)=CC(Cl)=C1[O-]	REAL300003154542	1	42	-2.0	-104.48	361.40	8.38	-96.10
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC3=C(F)C=CC(C(=O)[O-])=C3C2)=CO1	REAL300003154575	1	39	-2.0	-91.92	347.35	2.76	-89.16
O=C([O-])C1=CC=C(F)C2=C1CN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)CC2	REAL300003154735	0	38	-2.0	-95.61	330.46	6.51	-89.10
O=C([O-])C1=CC=C(F)C2=C1CN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)CC2	REAL300003154735	1	38	-2.0	-95.56	330.53	6.52	-89.04
O=C([O-])C1=CC=C(F)C2=C1CN(C(=O)C1=C[N-]N=CC1=O)CC2	REAL300003155012	0	33	-2.0	-101.41	291.78	5.47	-95.94
COCC1=NC=C(C(=O)N2CCC3=C(F)C=CC(C(=O)[O-])=C3C2)C(=O)[N-]1	REAL300003155045	1	40	-2.0	-114.95	338.79	3.92	-111.03
O=C([O-])C1=CC=C(F)C2=C1CN(C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])CC2	REAL300003155395	0	35	-2.0	-98.91	329.58	8.95	-89.96
CC1=C(C(=O)N2CCC3=C(F)C=CC(C(=O)[O-])=C3C2)C(=O)NC(C2=CC=CO2)=N1	REAL300003155694	0	43	-2.0	-114.02	371.12	6.43	-107.59
CC1=C(C(=O)N2CCC3=C(F)C=CC(C(=O)[O-])=C3C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300003155694	1	43	-2.0	-114.02	371.12	6.43	-107.59
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC2=CC=CC(OC)=C2)C(=O)[O-])O1	REAL300003157116	1	42	-2.0	-97.67	384.35	1.56	-96.11
COC1=CC=CC(CC(NC(=O)C2=CC=C([O-])C(F)=C2)C(=O)[O-])=C1	REAL300003158504	1	38	-2.0	-102.38	337.73	5.81	-96.57
COC1=CC=CC(CC(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C(=O)[O-])=C1	REAL300003158516	1	41	-2.0	-122.21	368.04	8.33	-113.88
COC1=CC=CC(CC(NC(=O)CCC2=N[N-]N=N2)C(=O)[O-])=C1	REAL300003158557	0	38	-2.0	-98.70	335.18	3.85	-94.85
COC1=CC=CC(CC(NC(=O)CCC2=NN=N[N-]2)C(=O)[O-])=C1	REAL300003158557	1	38	-2.0	-98.67	335.23	3.87	-94.80
COC1=CC=CC(CC(NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C(=O)[O-])=C1	REAL300003158619	0	44	-2.0	-105.79	392.72	3.97	-101.82
COC1=CC=CC(CC(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)C(=O)[O-])=C1	REAL300003158641	1	43	-2.0	-117.91	370.85	5.31	-112.60
COC1=CC=CC(CC(NC(=O)C2=CN=CC([O-])=C2)C(=O)[O-])=C1	REAL300003158673	1	37	-2.0	-106.11	326.57	3.91	-102.20
COC1=CC=CC(CC(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C(=O)[O-])=C1	REAL300003158755	0	45	-2.0	-132.08	398.46	7.14	-124.94
COC1=CC=CC(CC(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C(=O)[O-])=C1	REAL300003158786	1	43	-2.0	-137.32	371.62	8.01	-129.31
COC1=CC=CC(CC(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C(=O)[O-])=C1	REAL300003159023	0	38	-2.0	-99.87	353.49	6.43	-93.44
COC1=CC=CC(CC(NC(=O)C2=C(OC)C(=O)[N-]C(=O)N2)C(=O)[O-])=C1	REAL300003159036	1	41	-2.0	-100.61	359.87	1.42	-99.19
COC1=CC=CC(CC(NC(=O)CCCC2=N[N-]N=N2)C(=O)[O-])=C1	REAL300003159111	0	41	-2.0	-109.06	356.68	4.64	-104.42
COC1=CC=CC(CC(NC(=O)CCCC2=NN=N[N-]2)C(=O)[O-])=C1	REAL300003159111	1	41	-2.0	-109.09	356.73	4.65	-104.44
COC1=CC=CC(CC(NC(=O)C2=CC=C([O-])C(Cl)=C2)C(=O)[O-])=C1	REAL300003159141	0	38	-2.0	-100.26	347.28	6.36	-93.90
CCOC1=CC(C(=O)NC(CC2=CC=CC(OC)=C2)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300003159145	1	45	-2.0	-104.69	398.33	7.39	-97.30
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CC2=CC=CC(OC)=C2)C(=O)[O-])=CO1	REAL300003159166	1	42	-2.0	-103.77	383.50	1.53	-102.24
COC1=CC=CC(CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(=O)[O-])=C1	REAL300003159300	0	41	-2.0	-93.73	367.26	4.43	-89.30
COC1=CC=CC(CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(=O)[O-])=C1	REAL300003159300	1	41	-2.0	-93.69	367.33	4.44	-89.25
COC1=CC=CC(CC(NC(=O)C2=C[N-]N=CC2=O)C(=O)[O-])=C1	REAL300003159519	0	36	-2.0	-106.12	318.78	4.34	-101.78
COCC1=NC=C(C(=O)NC(CC2=CC=CC(OC)=C2)C(=O)[O-])C(=O)[N-]1	REAL300003159542	1	43	-2.0	-112.38	372.45	3.00	-109.38
COC1=CC=CC(CC(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C(=O)[O-])=C1	REAL300003159584	1	46	-2.0	-117.72	385.77	5.88	-111.84
COC1=CC=CC(CC(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C(=O)[O-])=C1	REAL300003159811	0	38	-2.0	-116.50	362.12	8.36	-108.14
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=NC=C(C(=O)[O-])S3)CC2)O1	REAL300003161180	1	41	-2.0	-93.30	377.29	1.86	-91.44
O=C([O-])C1=CN=C(C2CCN(C(=O)C3=CC=C([O-])C(F)=C3)CC2)S1	REAL300003162526	1	37	-2.0	-97.36	334.18	5.88	-91.48
O=C([O-])C1=CN=C(C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)S1	REAL300003162598	0	37	-2.0	-90.81	331.14	4.28	-86.53
O=C([O-])C1=CN=C(C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)S1	REAL300003162598	1	37	-2.0	-90.81	331.20	4.30	-86.51
O=C([O-])C1=CN=C(C2CCN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)CC2)S1	REAL300003162682	1	42	-2.0	-105.01	372.95	5.33	-99.68
O=C([O-])C1=CN=C(C2CCN(C(=O)C3=CN=CC([O-])=C3)CC2)S1	REAL300003162704	1	36	-2.0	-90.63	322.87	4.02	-86.61
O=C([O-])C1=CN=C(C2CCN(C(=O)C3=C([O-])C4=CC=CC=C4C=N3)CC2)S1	REAL300003162827	1	42	-2.0	-108.80	364.88	8.79	-100.01
O=C([O-])C1=CN=C(C2CCN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)CC2)S1	REAL300003163087	0	37	-2.0	-91.81	349.65	6.42	-85.39
COC1=C(C(=O)N2CCC(C3=NC=C(C(=O)[O-])S3)CC2)NC(=O)[N-]C1=O	REAL300003163106	1	40	-2.0	-95.74	361.97	0.36	-95.38
O=C([O-])C1=CN=C(C2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)S1	REAL300003163195	0	40	-2.0	-97.66	352.67	5.06	-92.60
O=C([O-])C1=CN=C(C2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)S1	REAL300003163195	1	40	-2.0	-97.63	352.72	5.07	-92.56
O=C([O-])C1=CN=C(C2CCN(C(=O)C3=CC=C([O-])C(Cl)=C3)CC2)S1	REAL300003163227	0	37	-2.0	-93.19	343.98	6.36	-86.83
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(C3=NC=C(C(=O)[O-])S3)CC2)=CO1	REAL300003163257	1	41	-2.0	-92.07	377.48	1.69	-90.38
O=C([O-])C1=CN=C(C2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)S1	REAL300003163377	0	40	-2.0	-86.31	360.35	5.30	-81.01
O=C([O-])C1=CN=C(C2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)S1	REAL300003163377	1	40	-2.0	-86.29	360.42	5.31	-80.98
O=C([O-])C1=CN=C(C2CCN(C(=O)C3=C[N-]N=CC3=O)CC2)S1	REAL300003163589	0	35	-2.0	-87.44	321.44	4.37	-83.07
COCC1=NC=C(C(=O)N2CCC(C3=NC=C(C(=O)[O-])S3)CC2)C(=O)[N-]1	REAL300003163618	1	42	-2.0	-103.27	374.77	2.88	-100.39
O=C([O-])C1=CN=C(C2CCN(C(=O)C3=CN=C(C4CCC4)[N-]C3=O)CC2)S1	REAL300003163658	1	45	-2.0	-91.01	383.49	5.79	-85.22
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)O1	REAL300003165513	1	44	-2.0	-100.25	353.90	2.98	-97.27
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)=CS1	REAL300003165979	1	51	-2.0	-127.22	395.67	7.31	-119.91
CC1=C(CC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003166162	1	53	-2.0	-138.73	401.20	7.36	-131.37
CC1(C)CCCC(NC(=O)C2=CC=C([O-])C(F)=C2)(C(=O)[O-])C1	REAL300003167051	1	40	-2.0	-106.66	307.28	7.17	-99.49
CC1(C)CCCC(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])(C(=O)[O-])C1	REAL300003167061	1	43	-2.0	-131.21	337.61	9.25	-121.96
CC1(C)CCCC(NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)(C(=O)[O-])C1	REAL300003167145	0	46	-2.0	-109.19	362.52	5.28	-103.91
CC1(C)CCCC(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)(C(=O)[O-])C1	REAL300003167170	1	45	-2.0	-115.37	339.66	6.68	-108.69
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CCCC(C)(C)C3)=N2)=C1	REAL300003167219	0	56	-2.0	-144.95	422.05	10.34	-134.61
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CCCC(C)(C)C3)=N2)C=C1	REAL300003167220	0	56	-2.0	-143.84	422.05	10.35	-133.49
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)=N1	REAL300003167286	0	50	-2.0	-140.11	389.15	9.47	-130.64
CC1(C)CCCC(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])(C(=O)[O-])C1	REAL300003167291	0	47	-2.0	-141.61	368.26	8.49	-133.12
CC1(C)CCCC(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)(C(=O)[O-])C1	REAL300003167320	1	45	-2.0	-145.32	341.41	8.87	-136.45
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CCCC(C)(C)C3)=N2)=C1	REAL300003167453	0	50	-2.0	-149.03	386.61	9.07	-139.96
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)=N1	REAL300003167454	0	53	-2.0	-146.56	396.06	10.20	-136.36
CC1=C(CC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003167512	1	53	-2.0	-137.44	401.44	7.34	-130.10
CC1(C)CCCC(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)(C(=O)[O-])C1	REAL300003167567	0	40	-2.0	-104.79	323.29	7.73	-97.06
COC1=C(C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)NC(=O)[N-]C1=O	REAL300003167578	1	43	-2.0	-104.46	329.23	2.33	-102.13
CC1(C)CCCC(NC(=O)CCCC2=N[N-]N=N2)(C(=O)[O-])C1	REAL300003167652	0	43	-2.0	-114.02	326.26	6.01	-108.01
CC1(C)CCCC(NC(=O)CCCC2=NN=N[N-]2)(C(=O)[O-])C1	REAL300003167652	1	43	-2.0	-113.99	326.32	6.03	-107.96
CC1(C)CCCC(NC(=O)C2=CC=C([O-])C(Cl)=C2)(C(=O)[O-])C1	REAL300003167682	0	40	-2.0	-104.82	317.08	7.67	-97.15
CCOC1=CC(C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)=CC(Cl)=C1[O-]	REAL300003167686	1	47	-2.0	-109.31	368.13	8.70	-100.61
COC1=CC=C(N2C=C([O-])C(C(=O)NC3(C(=O)[O-])CCCC(C)(C)C3)=N2)C=C1	REAL300003167692	0	51	-2.0	-143.23	391.34	7.72	-135.51
C[N-]S(=O)(=O)C1=CC(C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)=CO1	REAL300003167707	1	44	-2.0	-111.65	353.05	2.94	-108.71
CC1(C)CCCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)(C(=O)[O-])C1	REAL300003167841	0	43	-2.0	-95.69	336.83	5.81	-89.88
CC1(C)CCCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)(C(=O)[O-])C1	REAL300003167841	1	43	-2.0	-95.68	336.89	5.81	-89.87
COCC1=NC=C(C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C(=O)[N-]1	REAL300003168097	1	45	-2.0	-114.62	341.49	4.34	-110.28
CC1(C)CCCC(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)(C(=O)[O-])C1	REAL300003168139	1	48	-2.0	-115.17	355.44	7.19	-107.98
CC1(C)CCCC(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])(C(=O)[O-])C1	REAL300003168377	0	40	-2.0	-125.92	331.68	9.28	-116.64
COC1(C(=O)[O-])CCN(C(=O)CCC2=C(C)N=C(N3CCOCC3)[N-]C2=O)C1	REAL300003169252	1	52	-2.0	-99.05	410.22	5.74	-93.31
COC1(C(=O)[O-])CCN(C(=O)C2=CC(C)=CC=C2[N-]S(C)(=O)=O)C1	REAL300003169607	0	42	-2.0	-101.46	351.74	3.02	-98.44
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(OC)(C(=O)[O-])C1	REAL300003169917	0	42	-2.0	-120.27	352.23	3.34	-116.93
COC1(C(=O)[O-])CCN(C(=O)CN2C(=S)[N-]N=C2C2=CC=C(C)C=C2)C1	REAL300003169967	1	44	-2.0	-121.19	373.13	8.73	-112.46
COC1(C(=O)[O-])CCN(C(=O)C2=CC=C(S(=O)(=O)[N-]C(C)(C)C)O2)C1	REAL300003170419	1	45	-2.0	-87.02	374.04	2.11	-84.91
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(OC)(C(=O)[O-])C2)O1	REAL300003170420	1	36	-2.0	-86.44	320.42	-0.43	-86.87
COC1(C(=O)[O-])CCN(C(=O)C2=CC(NC(C)=O)=CC=C2[N-]S(C)(=O)=O)C1	REAL300003170651	0	46	-2.0	-107.03	384.59	1.33	-105.70
COC1(C(=O)[O-])CCN(C(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)C1	REAL300003170697	0	39	-2.0	-100.96	330.41	2.37	-98.59
COC1(C(=O)[O-])CCN(C(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)C1	REAL300003171069	1	43	-2.0	-101.63	364.07	4.03	-97.60
COC1(C(=O)[O-])CCN(C(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)C1	REAL300003171306	0	39	-2.0	-94.00	334.81	2.50	-91.50
COC1(C(=O)[O-])CCN(C(=O)CC2=C(C)N=C(C3=CC=CN=C3)[N-]C2=O)C1	REAL300003171309	1	45	-2.0	-108.66	373.81	4.14	-104.52
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(OC)(C(=O)[O-])C1	REAL300003171312	0	45	-2.0	-121.01	373.73	4.13	-116.88
COC1(C(=O)[O-])CCN(C(=O)C2=C(C)N=C(C(C)(C)C)[N-]C2=O)C1	REAL300003171383	1	45	-2.0	-102.59	362.28	4.03	-98.56
COC1(C(=O)[O-])CCN(C(=O)C2=CC3=CC=CC=C3C=C2[N-]S(C)(=O)=O)C1	REAL300003172147	0	45	-2.0	-105.34	374.41	4.69	-100.65
COC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300003172341	1	35	-2.0	-101.75	306.53	5.24	-96.51
COC1(C(=O)[O-])CCN(C(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C1	REAL300003172442	0	38	-2.0	-92.54	327.37	1.48	-91.06
COC1(C(=O)[O-])CCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300003172472	1	37	-2.0	-100.89	315.63	2.96	-97.93
COC1(C(=O)[O-])CCN(C(=O)C2=NN(C3=CC=CC(C(C)C)=C3)C=C2[O-])C1	REAL300003172526	0	48	-2.0	-114.17	388.57	7.08	-107.09
COC1(C(=O)[O-])CCN(C(=O)C2=NN(C3=CC=C(C(C)C)C=C3)C=C2[O-])C1	REAL300003172527	0	48	-2.0	-113.03	388.51	7.08	-105.95
COC1(C(=O)[O-])CCN(C(=O)C2=NN(C3=CC=C(F)C=C3C)C=C2[O-])C1	REAL300003172605	0	42	-2.0	-109.18	343.82	5.99	-103.19
COC1(C(=O)[O-])CCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1	REAL300003172610	0	39	-2.0	-110.97	334.72	5.23	-105.74
COC1(C(=O)[O-])CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300003172636	1	37	-2.0	-113.97	306.25	6.46	-107.51
COC1(C(=O)[O-])CCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)C1	REAL300003172656	0	39	-2.0	-83.99	348.63	2.83	-81.16
COC1(C(=O)[O-])CCN(C(=O)C2=CN=C(I)C([O-])=C2)C1	REAL300003172705	0	31	-2.0	-87.40	287.46	2.45	-84.95
COC1(C(=O)[O-])CCN(C(=O)C2=NN(C3=CC(C)=CC=C3F)C=C2[O-])C1	REAL300003172770	0	42	-2.0	-117.01	351.85	5.91	-111.10
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC(OC)(C(=O)[O-])C2)=N1	REAL300003172771	0	45	-2.0	-114.79	367.79	7.01	-107.78
COC1(C(=O)[O-])CCN(C(=O)CC2=C(C)N=C(C3=CC=NC=C3)[N-]C2=O)C1	REAL300003172831	1	45	-2.0	-109.46	373.60	4.21	-105.25
COC1(C(=O)[O-])CCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300003172876	0	32	-2.0	-87.35	287.52	3.97	-83.38
COC1=C(C(=O)N2CCC(OC)(C(=O)[O-])C2)NC(=O)[N-]C1=O	REAL300003172884	1	35	-2.0	-87.70	293.60	-0.45	-88.15
CCOC1=CC(C(=O)N2CCC(OC)(C(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300003172990	1	39	-2.0	-90.65	333.03	4.95	-85.70
COC1(C(=O)[O-])CCN(C(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])C1	REAL300003172994	0	42	-2.0	-118.14	358.59	6.51	-111.63
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC(OC)(C(=O)[O-])C3)=N2)C=C1	REAL300003173002	0	43	-2.0	-112.61	357.79	4.46	-108.15
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(OC)(C(=O)[O-])C2)=CO1	REAL300003173022	1	36	-2.0	-87.75	316.30	-0.75	-88.50
COC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300003173153	0	35	-2.0	-82.14	301.69	2.92	-79.22
COC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300003173153	1	35	-2.0	-82.14	301.76	2.92	-79.22
COCC1=NC=C(C(=O)N2CCC(OC)(C(=O)[O-])C2)C(=O)[N-]1	REAL300003173430	1	37	-2.0	-99.28	317.73	0.55	-98.73
COC1(C(=O)[O-])CCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300003173471	1	40	-2.0	-100.51	331.49	3.51	-97.00
COC1(C(=O)[O-])CCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300003173731	0	32	-2.0	-116.56	300.92	5.68	-110.88
COC1(C(=O)[O-])CCN(C(=O)C2=C(C)N=C(C3=CC=CO3)[N-]C2=O)C1	REAL300003173991	0	40	-2.0	-105.13	342.56	3.12	-102.01
O=C([O-])CCCCCCCCCCCNC(=O)C1=CC=C([O-])C(F)=C1	REAL300003176241	1	51	-2.0	-93.29	422.85	9.34	-83.95
O=C([O-])CCCCCCCCCCCNC(=O)CCC1=N[N-]N=N1	REAL300003176312	0	51	-2.0	-87.57	420.30	7.40	-80.17
O=C([O-])CCCCCCCCCCCNC(=O)CCC1=NN=N[N-]1	REAL300003176312	1	51	-2.0	-87.60	420.36	7.41	-80.19
O=C([O-])CCCCCCCCCCCNC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300003176390	1	56	-2.0	-87.64	455.90	8.83	-78.81
O=C([O-])CCCCCCCCCCCNC(=O)C1=CN=CC([O-])=C1	REAL300003176410	1	50	-2.0	-93.44	411.69	7.45	-85.99
O=C([O-])CCCCCCCCCCCNC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300003176524	1	56	-2.0	-105.28	456.99	11.51	-93.77
O=C([O-])CCCCCCCCCCCNC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300003176774	0	51	-2.0	-88.97	438.86	9.90	-79.07
COC1=C(C(=O)NCCCCCCCCCCCC(=O)[O-])NC(=O)[N-]C1=O	REAL300003176793	1	54	-2.0	-91.55	445.01	4.97	-86.58
O=C([O-])CCCCCCCCCCCNC(=O)CCCC1=N[N-]N=N1	REAL300003176876	0	54	-2.0	-94.89	441.80	8.18	-86.71
O=C([O-])CCCCCCCCCCCNC(=O)CCCC1=NN=N[N-]1	REAL300003176876	1	54	-2.0	-94.88	441.85	8.20	-86.68
O=C([O-])CCCCCCCCCCCNC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300003176907	0	51	-2.0	-89.16	432.65	9.81	-79.35
O=C([O-])CCCCCCCCCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300003177047	0	54	-2.0	-83.79	452.39	7.98	-75.81
O=C([O-])CCCCCCCCCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300003177047	1	54	-2.0	-83.77	452.46	7.99	-75.78
O=C([O-])CCCCCCCCCCCNC(=O)C1=C[N-]N=CC1=O	REAL300003177248	0	49	-2.0	-80.28	403.90	7.88	-72.40
COCC1=NC=C(C(=O)NCCCCCCCCCCCC(=O)[O-])C(=O)[N-]1	REAL300003177274	1	56	-2.0	-87.29	457.75	6.47	-80.82
O=C([O-])CCCCCCCCCCCNC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300003177313	1	59	-2.0	-87.62	471.66	9.38	-78.24
COC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)F)C([O-])=C1	REAL300003179268	1	39	-2.0	-109.63	347.07	6.47	-103.16
O=C([O-])C1=CC=C(NC(=O)C2=CC=C([O-])C(F)=C2)C(OCC(F)F)=C1	REAL300003179604	1	35	-2.0	-94.77	326.03	5.73	-89.04
O=C([O-])C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C(OCC(F)F)=C1	REAL300003179656	0	35	-2.0	-91.44	322.65	3.80	-87.64
O=C([O-])C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C(OCC(F)F)=C1	REAL300003179656	1	35	-2.0	-91.46	322.71	3.81	-87.65
O=C([O-])C1=CC=C(NC(=O)C2=CN=CC([O-])=C2)C(OCC(F)F)=C1	REAL300003179735	1	34	-2.0	-95.37	314.87	3.84	-91.53
O=C([O-])C1=CC=C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C(OCC(F)F)=C1	REAL300003179814	0	40	-2.0	-114.91	360.17	7.78	-107.13
O=C([O-])C1=CC=C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C(OCC(F)F)=C1	REAL300003180014	0	35	-2.0	-90.94	342.04	6.29	-84.65
O=C([O-])C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C(OCC(F)F)=C1	REAL300003180086	0	38	-2.0	-99.90	344.15	4.58	-95.32
O=C([O-])C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C(OCC(F)F)=C1	REAL300003180086	1	38	-2.0	-99.96	344.21	4.59	-95.37
O=C([O-])C1=CC=C(NC(=O)C2=CC=C([O-])C(Cl)=C2)C(OCC(F)F)=C1	REAL300003180112	0	35	-2.0	-91.55	335.83	6.22	-85.33
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(OCC(F)F)=C1	REAL300003180225	0	38	-2.0	-86.83	355.63	4.37	-82.46
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(OCC(F)F)=C1	REAL300003180225	1	38	-2.0	-86.90	355.56	4.37	-82.53
O=C([O-])C1=CC=C(NC(=O)C2=C[N-]N=CC2=O)C(OCC(F)F)=C1	REAL300003180381	0	33	-2.0	-88.46	307.08	4.28	-84.18
COCC1=NC=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)F)C(=O)[N-]1	REAL300003180398	1	40	-2.0	-96.46	360.77	2.94	-93.52
CC1=C(CCC(=O)N(C)[C@@H](C)C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300003181301	1	47	-2.0	-106.08	374.26	6.07	-100.01
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)N(C)[C@@H](C)C(=O)[O-])C=C2)C=C1C	REAL300003181348	1	47	-2.0	-102.83	390.09	6.99	-95.84
C[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1	REAL300003181646	1	41	-2.0	-102.29	358.60	5.86	-96.43
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)N(C)[C@@H](C)C(=O)[O-])=C2)C=C1F	REAL300003181663	1	44	-2.0	-103.38	378.88	6.52	-96.86
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N(C)[C@@H](C)C(=O)[O-])C=C1	REAL300003181705	1	39	-2.0	-117.44	339.62	9.16	-108.28
C[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300003181746	1	41	-2.0	-97.78	361.10	5.92	-91.86
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)[C@@H](C)C(=O)[O-])C=C1	REAL300003181748	1	44	-2.0	-94.92	374.75	6.64	-88.28
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)[C@@H](C)C(=O)[O-])C=C2)=C1C	REAL300003181751	1	47	-2.0	-96.01	391.29	7.07	-88.94
C[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300003181836	1	41	-2.0	-104.29	354.24	5.75	-98.54
C[C@@H](C(=O)[O-])N(C)C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300003181837	1	44	-2.0	-101.08	386.81	6.87	-94.21
C[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300003181838	1	41	-2.0	-106.40	352.16	5.81	-100.59
CC1=CC(C(=O)N(C)[C@@H](C)C(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300003181849	0	37	-2.0	-85.28	332.93	3.89	-81.39
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)[C@@H](C)C(=O)[O-])C=C2)C=C1	REAL300003181931	1	44	-2.0	-95.32	375.78	6.44	-88.88
C[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2)=C1	REAL300003181992	1	41	-2.0	-104.02	368.91	6.31	-97.71
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)N(C)[C@@H](C)C(=O)[O-])=C1	REAL300003181993	0	45	-2.0	-112.73	381.41	5.14	-107.59
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)[C@@H](C)C(=O)[O-])=C2)C=C1	REAL300003181994	1	45	-2.0	-107.41	381.70	5.08	-102.33
C[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300003181999	0	38	-2.0	-102.71	346.63	4.86	-97.85
C[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300003182012	1	40	-2.0	-92.45	340.33	2.40	-90.05
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)[C@@H](C)C(=O)[O-])=C2)C=C1	REAL300003182077	1	44	-2.0	-102.40	374.87	6.48	-95.92
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)N(C)[C@@H](C)C(=O)[O-])=CC=C2C)C=C1	REAL300003182082	1	47	-2.0	-110.04	389.31	7.31	-102.73
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)N(C)[C@@H](C)C(=O)[O-])C=C2)=CC=C1F	REAL300003182086	1	44	-2.0	-95.52	378.53	6.55	-88.97
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)N(C)[C@@H](C)C(=O)[O-])C=C1	REAL300003182087	1	44	-2.0	-97.67	376.59	6.70	-90.97
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)[C@@H](C)C(=O)[O-])C=C1	REAL300003182105	0	45	-2.0	-97.53	381.03	5.13	-92.40
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2)C=C1C(=O)N(C)[C@@H](C)C(=O)[O-]	REAL300003182106	1	44	-2.0	-102.35	379.27	6.52	-95.83
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)N(C)[C@@H](C)C(=O)[O-])=CC=C2C)=C1	REAL300003182107	1	47	-2.0	-103.90	388.82	7.30	-96.60
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)[C@@H](C)C(=O)[O-])=C2)=C1	REAL300003182108	1	44	-2.0	-109.59	373.10	6.37	-103.22
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)N(C)[C@@H](C)C(=O)[O-])=C2)=C1	REAL300003182109	1	47	-2.0	-109.71	394.09	7.09	-102.62
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)N(C)[C@@H](C)C(=O)[O-])=C2)=C1	REAL300003182112	1	47	-2.0	-106.46	389.06	7.25	-99.21
C[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300003182190	0	38	-2.0	-104.28	343.61	4.72	-99.56
C[C@@H](C(=O)[O-])N(C)C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300003182191	0	41	-2.0	-109.96	371.78	5.85	-104.11
CC(C)C(=O)[N-]C1=NC(CC(=O)N(C)[C@@H](C)C(=O)[O-])=CS1	REAL300003182377	1	38	-2.0	-102.60	328.79	4.46	-98.14
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)[C@@H](C)C(=O)[O-])C=C2)C=C1	REAL300003182432	1	45	-2.0	-93.85	384.37	5.16	-88.69
CC1=C(CC(=O)N(C)[C@@H](C)C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003182500	1	40	-2.0	-107.61	339.65	4.60	-103.01
C[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300003182612	1	41	-2.0	-94.59	354.37	5.76	-88.83
C[C@@H](C(=O)[O-])N(C)C(=O)C1=CC(Br)=C([O-])C(Br)=C1	REAL300003182898	0	27	-2.0	-87.24	273.13	5.10	-82.14
C[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300003182968	0	33	-2.0	-97.11	293.67	1.96	-95.15
C[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300003183002	1	40	-2.0	-90.77	349.41	4.01	-86.76
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N(C)[C@@H](C)C(=O)[O-])=N2)=C1	REAL300003183014	0	43	-2.0	-123.53	352.67	7.70	-115.83
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N(C)[C@@H](C)C(=O)[O-])=N2)C=C1	REAL300003183015	0	43	-2.0	-120.88	353.03	7.59	-113.29
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(C)[C@@H](C)C(=O)[O-])=N1	REAL300003183037	0	37	-2.0	-117.87	319.25	6.66	-111.21
C[C@@H](C(=O)[O-])N(C)C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300003183040	0	34	-2.0	-119.41	298.69	5.80	-113.61
C[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300003183056	0	34	-2.0	-90.47	313.70	3.24	-87.23
C[C@@H](C(=O)[O-])N(C)C(=O)C1=CN=C(I)C([O-])=C1	REAL300003183073	0	26	-2.0	-88.45	255.31	3.04	-85.41
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N(C)[C@@H](C)C(=O)[O-])=N2)=C1	REAL300003183093	0	37	-2.0	-126.45	317.16	6.43	-120.02
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(C)[C@@H](C)C(=O)[O-])=N1	REAL300003183094	0	40	-2.0	-123.48	319.25	6.90	-116.58
CC1=C(CC(=O)N(C)[C@@H](C)C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003183102	1	40	-2.0	-105.83	339.84	4.59	-101.24
CCOC1=CC(C(=O)N(C)[C@@H](C)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300003183143	1	34	-2.0	-95.71	297.62	5.30	-90.41
C[C@@H](C(=O)[O-])N(C)C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300003183146	0	37	-2.0	-124.08	327.07	6.56	-117.52
COC1=CC=C(N2C=C([O-])C(C(=O)N(C)[C@@H](C)C(=O)[O-])=N2)C=C1	REAL300003183151	0	38	-2.0	-120.67	322.44	5.03	-115.64
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(OC(C)C(=O)[O-])C(F)=C2)O1	REAL300003184567	1	39	-2.0	-90.16	364.34	1.79	-88.37
CC(OC1=CC=C(NC(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300003184749	0	42	-2.0	-104.82	372.08	5.09	-99.73
COC1=CC=C(C(=O)NC2=CC=C(OC(C)C(=O)[O-])C(F)=C2)C([O-])=C1	REAL300003185671	1	39	-2.0	-114.44	338.76	6.76	-107.68
CC(OC1=CC=C(NC(=O)C2=CC=C([O-])C(F)=C2)C=C1F)C(=O)[O-]	REAL300003186190	1	35	-2.0	-95.28	317.89	6.02	-89.26
CC(OC1=CC=C(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C=C1F)C(=O)[O-]	REAL300003186203	1	38	-2.0	-105.95	348.22	8.46	-97.49
CC(OC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1F)C(=O)[O-]	REAL300003186257	0	35	-2.0	-93.77	315.15	4.08	-89.69
CC(OC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1F)C(=O)[O-]	REAL300003186257	1	35	-2.0	-93.74	315.21	4.10	-89.64
CC(OC1=CC=C(NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C=C1F)C(=O)[O-]	REAL300003186328	0	41	-2.0	-96.23	372.95	4.11	-92.12
CC(OC1=CC=C(NC(=O)C2=CN=CC([O-])=C2)C=C1F)C(=O)[O-]	REAL300003186391	1	34	-2.0	-99.08	306.73	4.14	-94.94
CC(OC1=CC=C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C=C1F)C(=O)[O-]	REAL300003186534	0	40	-2.0	-112.38	351.85	8.08	-104.30
CC(OC1=CC=C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C=C1F)C(=O)[O-]	REAL300003186812	0	35	-2.0	-93.00	333.90	6.57	-86.43
CC(OC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1F)C(=O)[O-]	REAL300003186923	0	38	-2.0	-104.33	336.83	4.88	-99.45
CC(OC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1F)C(=O)[O-]	REAL300003186923	1	38	-2.0	-104.33	336.88	4.89	-99.44
CC(OC1=CC=C(NC(=O)C2=CC=C([O-])C(Cl)=C2)C=C1F)C(=O)[O-]	REAL300003186956	0	35	-2.0	-92.16	327.69	6.52	-85.64
CCOC1=CC(C(=O)NC2=CC=C(OC(C)C(=O)[O-])C(F)=C2)=CC(Cl)=C1[O-]	REAL300003186959	1	42	-2.0	-96.23	378.57	7.54	-88.69
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=C(OC(C)C(=O)[O-])C(F)=C2)=CO1	REAL300003186990	1	39	-2.0	-102.09	363.49	1.77	-100.32
CC(OC1=CC=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)C=C1F)C(=O)[O-]	REAL300003187074	0	43	-2.0	-98.28	377.28	10.49	-87.79
CC(OC1=CC=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)C=C1F)C(=O)[O-]	REAL300003187074	1	43	-2.0	-98.21	377.33	10.48	-87.73
CC(OC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1F)C(=O)[O-]	REAL300003187140	0	38	-2.0	-87.62	347.42	4.65	-82.97
CC(OC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1F)C(=O)[O-]	REAL300003187140	1	38	-2.0	-87.57	347.49	4.67	-82.90
CC(OC1=CC=C(NC(=O)C2=C[N-]N=CC2=O)C=C1F)C(=O)[O-]	REAL300003187398	0	33	-2.0	-83.37	298.76	4.56	-78.81
COCC1=NC=C(C(=O)NC2=CC=C(OC(C)C(=O)[O-])C(F)=C2)C(=O)[N-]1	REAL300003187429	1	40	-2.0	-88.26	351.04	3.15	-85.11
CC(OC1=CC=C(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C=C1F)C(=O)[O-]	REAL300003187761	0	35	-2.0	-101.45	342.12	8.48	-92.97
O=C([O-])C1(NC(=O)CCC2=N[N-]N=N2)CCC2=CC(Br)=CC=C2C1	REAL300003188671	0	38	-2.0	-99.89	336.14	6.52	-93.37
O=C([O-])C1(NC(=O)CCC2=NN=N[N-]2)CCC2=CC(Br)=CC=C2C1	REAL300003188671	1	38	-2.0	-99.89	336.14	6.52	-93.37
O=C([O-])C1(NC(=O)C2=CN=CC(O)=C2)CCC2=CC(Br)=CC=C2C1	REAL300003188693	0	37	-2.0	-109.81	327.47	6.57	-103.24
O=C([O-])C1(NC(=O)C2=CN=CC([O-])=C2)CCC2=CC(Br)=CC=C2C1	REAL300003188693	1	37	-2.0	-109.81	327.47	6.57	-103.24
O=C([O-])C1(NC(=O)C2=C[N-]N=CC2=O)CCC2=CC(Br)=CC=C2C1	REAL300003188797	0	36	-2.0	-102.28	319.64	7.01	-95.27
CC1=C(CCC(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300003189831	1	52	-2.0	-102.46	408.12	6.56	-95.90
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)=C1	REAL300003190186	0	42	-2.0	-101.50	348.79	3.89	-97.61
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	REAL300003190496	0	42	-2.0	-103.76	352.40	4.09	-99.67
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)C=C1	REAL300003190546	1	44	-2.0	-102.34	372.43	9.46	-92.88
C[C@@H]1CN(C(=O)C2=CC=C(S(=O)(=O)[N-]C(C)(C)C)O2)C[C@@H](C(=O)[O-])O1	REAL300003190998	1	45	-2.0	-88.59	373.45	2.89	-85.70
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)O1	REAL300003190999	1	36	-2.0	-87.54	318.29	0.32	-87.22
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)=C1	REAL300003191230	0	46	-2.0	-108.88	383.88	2.09	-106.79
C[C@@H]1CN(C(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)C[C@@H](C(=O)[O-])O1	REAL300003191276	0	39	-2.0	-102.42	330.96	3.17	-99.25
CC(C)C(=O)[N-]C1=NC(CC(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)=CS1	REAL300003191648	1	43	-2.0	-95.58	363.28	4.82	-90.76
C[C@@H]1CN(C(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)C[C@@H](C(=O)[O-])O1	REAL300003191885	0	39	-2.0	-97.16	333.80	3.29	-93.87
CC1=C(CC(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003191888	1	45	-2.0	-105.80	373.99	5.01	-100.79
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	REAL300003191891	0	45	-2.0	-104.19	373.90	4.88	-99.31
CC1=C(C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300003191962	1	45	-2.0	-111.53	363.51	4.62	-106.91
C[C@@H]1CN(C(=O)C2=CC3=CC=CC=C3C=C2[N-]S(C)(=O)=O)C[C@@H](C(=O)[O-])O1	REAL300003192726	0	45	-2.0	-108.33	378.10	5.50	-102.83
C[C@@H]1CN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C[C@@H](C(=O)[O-])O1	REAL300003192920	1	35	-2.0	-100.25	307.00	5.64	-94.61
C[C@@H]1CN(C(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C[C@@H](C(=O)[O-])O1	REAL300003193021	0	38	-2.0	-106.77	330.01	2.29	-104.48
C[C@@H]1CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C[C@@H](C(=O)[O-])O1	REAL300003193051	1	37	-2.0	-97.81	307.78	3.59	-94.22
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3C[C@@H](C)O[C@H](C(=O)[O-])C3)=N2)=C1	REAL300003193105	0	48	-2.0	-117.96	386.44	7.98	-109.98
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3C[C@@H](C)O[C@H](C(=O)[O-])C3)=N2)C=C1	REAL300003193106	0	48	-2.0	-117.21	386.42	7.99	-109.22
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)=N1	REAL300003193184	0	42	-2.0	-116.03	358.97	6.51	-109.52
C[C@@H]1CN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C[C@@H](C(=O)[O-])O1	REAL300003193189	0	39	-2.0	-115.91	332.64	6.13	-109.78
C[C@@H]1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C[C@@H](C(=O)[O-])O1	REAL300003193215	1	37	-2.0	-113.96	308.50	6.76	-107.20
C[C@@H]1CN(C(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)C[C@@H](C(=O)[O-])O1	REAL300003193235	0	39	-2.0	-87.51	350.55	3.67	-83.84
C[C@@H]1CN(C(=O)C2=CN=C(I)C([O-])=C2)C[C@@H](C(=O)[O-])O1	REAL300003193284	0	31	-2.0	-92.80	288.68	3.27	-89.53
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3C[C@@H](C)O[C@H](C(=O)[O-])C3)=N2)=C1	REAL300003193349	0	42	-2.0	-121.77	351.34	6.76	-115.01
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)=N1	REAL300003193350	0	45	-2.0	-120.54	372.98	7.23	-113.31
CC1=C(CC(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003193410	1	45	-2.0	-104.33	373.27	4.96	-99.37
C[C@@H]1CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C[C@@H](C(=O)[O-])O1	REAL300003193455	0	32	-2.0	-95.55	290.13	4.83	-90.72
COC1=C(C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)NC(=O)[N-]C1=O	REAL300003193463	1	35	-2.0	-100.05	302.95	-1.23	-101.28
CCOC1=CC(C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300003193569	1	39	-2.0	-100.59	334.98	5.80	-94.79
C[C@@H]1CN(C(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])C[C@@H](C(=O)[O-])O1	REAL300003193573	0	42	-2.0	-121.75	342.26	6.88	-114.87
COC1=CC=C(N2C=C([O-])C(C(=O)N3C[C@@H](C)O[C@H](C(=O)[O-])C3)=N2)C=C1	REAL300003193581	0	43	-2.0	-117.38	355.71	5.37	-112.01
C[N-]S(=O)(=O)C1=CC(C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)=CO1	REAL300003193601	1	36	-2.0	-103.27	318.00	0.10	-103.17
C[C@@H]1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@@H](C(=O)[O-])O1	REAL300003193732	0	35	-2.0	-92.59	301.37	3.75	-88.84
C[C@@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@@H](C(=O)[O-])O1	REAL300003193732	1	35	-2.0	-92.57	301.43	3.76	-88.81
COCC1=NC=C(C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)C(=O)[N-]1	REAL300003194009	1	37	-2.0	-106.44	315.91	1.33	-105.11
C[C@@H]1CN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C[C@@H](C(=O)[O-])O1	REAL300003194050	1	40	-2.0	-107.88	329.82	4.23	-103.65
C[C@@H]1CN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C[C@@H](C(=O)[O-])O1	REAL300003194310	0	32	-2.0	-97.76	300.95	5.72	-92.04
CC1=C(C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300003194570	0	40	-2.0	-114.81	343.82	3.68	-111.13
CC1=C(CCC(=O)NC2CC=C(C(=O)[O-])C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300003195021	1	49	-2.0	-98.50	399.86	6.14	-92.36
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2CC=C(C(=O)[O-])C2)=C1	REAL300003195367	0	39	-2.0	-98.89	342.07	3.96	-94.93
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1CC=C(C(=O)[O-])C1	REAL300003195671	0	39	-2.0	-99.97	342.11	4.17	-95.80
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2CC=C(C(=O)[O-])C2)C=C1	REAL300003195717	1	41	-2.0	-104.35	364.44	9.10	-95.25
O=C([O-])C1=CCC(NC(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3)C=C2)C1	REAL300003195899	1	43	-2.0	-97.82	381.06	6.18	-91.64
O=C([O-])C1=CCC(NC(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)C1	REAL300003195900	1	43	-2.0	-100.56	381.67	6.18	-94.38
CC1=CC(C(=O)NC2CC=C(C(=O)[O-])C2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300003195913	0	39	-2.0	-83.04	362.66	4.36	-78.68
O=C([O-])C1=CCC(NC(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CS3)C=C2)C1	REAL300003196141	0	40	-2.0	-97.89	372.99	5.18	-92.71
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2CC=C(C(=O)[O-])C2)O1	REAL300003196160	1	42	-2.0	-97.54	368.91	2.38	-95.16
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2CC=C(C(=O)[O-])C2)O1	REAL300003196161	1	33	-2.0	-90.63	313.07	-0.03	-90.66
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2CC=C(C(=O)[O-])C2)=C1	REAL300003196398	0	43	-2.0	-106.47	376.31	2.19	-104.28
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1CC=C(C(=O)[O-])C1	REAL300003196443	0	36	-2.0	-98.56	320.63	3.28	-95.28
O=C([O-])C1=CCC(NC(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CS3)=C2)C1	REAL300003196451	0	40	-2.0	-98.89	373.60	5.18	-93.71
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2CC=C(C(=O)[O-])C2)=CS1	REAL300003196794	1	40	-2.0	-101.02	354.70	4.40	-96.62
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1CC=C(C(=O)[O-])C1	REAL300003196999	0	36	-2.0	-93.01	327.09	3.35	-89.66
CC1=C(CC(=O)NC2CC=C(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003197006	1	42	-2.0	-104.05	365.09	4.54	-99.51
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1CC=C(C(=O)[O-])C1	REAL300003197011	0	42	-2.0	-100.36	363.61	4.96	-95.40
CC1=C(C(=O)NC2CC=C(C(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300003197069	1	42	-2.0	-95.15	344.78	4.77	-90.38
O=C([O-])C1=CCC(NC(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3)C=C2)C1	REAL300003197169	1	43	-2.0	-95.16	381.23	6.17	-88.99
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NC1CC=C(C(=O)[O-])C1	REAL300003197694	0	42	-2.0	-103.60	366.56	5.53	-98.07
O=C([O-])C1=CCC(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300003197853	1	32	-2.0	-96.84	297.16	6.75	-90.09
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2CC=C(C(=O)[O-])C2)C=N1	REAL300003197938	0	35	-2.0	-98.57	322.05	2.32	-96.25
O=C([O-])C1=CCC(NC(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=NC=C3)C=C2)C1	REAL300003197999	1	42	-2.0	-91.63	376.28	4.39	-87.24
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3CC=C(C(=O)[O-])C3)=N2)=C1	REAL300003198014	0	45	-2.0	-110.78	381.28	7.36	-103.42
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3CC=C(C(=O)[O-])C3)=N2)C=C1	REAL300003198015	0	45	-2.0	-109.96	381.09	7.36	-102.60
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2CC=C(C(=O)[O-])C2)=N1	REAL300003198082	0	39	-2.0	-106.66	348.74	6.45	-100.21
O=C([O-])C1=CCC(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1	REAL300003198086	0	36	-2.0	-107.62	327.42	5.51	-102.11
O=C([O-])C1=CCC(NC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)C1	REAL300003198122	0	36	-2.0	-84.98	343.21	3.61	-81.37
O=C([O-])C1=CCC(NC(=O)C2=CN=C(I)C([O-])=C2)C1	REAL300003198158	0	28	-2.0	-89.21	282.51	3.32	-85.89
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3CC=C(C(=O)[O-])C3)=N2)=C1	REAL300003198207	0	39	-2.0	-113.80	345.77	6.09	-107.71
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2CC=C(C(=O)[O-])C2)=N1	REAL300003198208	0	42	-2.0	-112.01	362.28	7.17	-104.84
CC1=C(CC(=O)NC2CC=C(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003198247	1	42	-2.0	-102.70	365.27	4.54	-98.16
CCOC1=CC(C(=O)NC2CC=C(C(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300003198350	1	36	-2.0	-93.41	327.17	5.75	-87.66
O=C([O-])C1=CCC(NC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])C1	REAL300003198354	0	39	-2.0	-114.04	350.91	6.86	-107.18
COC1=CC=C(N2C=C([O-])C(C(=O)NC3CC=C(C(=O)[O-])C3)=N2)C=C1	REAL300003198361	0	40	-2.0	-110.07	350.38	4.74	-105.33
C[N-]S(=O)(=O)C1=CC(C(=O)NC2CC=C(C(=O)[O-])C2)=CO1	REAL300003198378	1	33	-2.0	-94.74	312.26	-0.04	-94.78
O=C([O-])C1=CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300003198495	0	32	-2.0	-85.45	295.98	2.85	-82.60
O=C([O-])C1=CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300003198495	1	32	-2.0	-85.44	296.04	2.86	-82.58
O=C([O-])C1=CCC(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300003198745	1	37	-2.0	-94.03	315.20	4.27	-89.76
O=C([O-])C1=CCC(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300003198942	0	29	-2.0	-95.27	290.85	6.78	-88.49
CC1=C(C(=O)NC2CC=C(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300003199156	0	37	-2.0	-98.20	325.02	3.85	-94.35
CC1(C2=CC=C(Br)C=C2)CC1(NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL300003199671	0	38	-2.0	-104.24	351.17	6.46	-97.78
CC1(C2=CC=C(Br)C=C2)CC1(NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL300003199671	1	38	-2.0	-104.24	351.17	6.46	-97.78
CC1(C2=CC=C(Br)C=C2)CC1(NC(=O)C1=CN=CC(O)=C1)C(=O)[O-]	REAL300003199693	0	37	-2.0	-114.34	342.49	6.49	-107.85
CC1(C2=CC=C(Br)C=C2)CC1(NC(=O)C1=CN=CC([O-])=C1)C(=O)[O-]	REAL300003199693	1	37	-2.0	-114.34	342.49	6.49	-107.85
CC1(C2=CC=C(Br)C=C2)CC1(NC(=O)C1=C[N-]N=CC1=O)C(=O)[O-]	REAL300003199797	0	36	-2.0	-105.27	334.71	6.94	-98.33
O=C([O-])C1N(C(=O)C2=N[N-]C3=CC=CC=C3C2=O)CC12CCCC2	REAL300003200554	0	39	-2.0	-119.76	325.60	8.15	-111.61
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CC3(CCCC3)C2C(=O)[O-])=C1	REAL300003200795	0	45	-2.0	-131.28	369.91	6.26	-125.02
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC2(CCCC2)C1C(=O)[O-]	REAL300003201110	0	45	-2.0	-114.98	371.67	5.90	-109.08
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CC3(CCCC3)C2C(=O)[O-])C=C1	REAL300003201160	1	47	-2.0	-114.73	395.02	11.27	-103.46
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC3(CCCC3)C2C(=O)[O-])O1	REAL300003201603	1	48	-2.0	-98.53	396.07	4.61	-93.92
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC3(CCCC3)C2C(=O)[O-])O1	REAL300003201604	1	39	-2.0	-97.19	342.46	2.08	-95.11
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC2(CCCC2)C1C(=O)[O-]	REAL300003201877	0	42	-2.0	-113.41	350.20	5.00	-108.41
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC3(CCCC3)C2C(=O)[O-])=CS1	REAL300003202246	1	46	-2.0	-129.90	383.01	7.19	-122.71
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CC2(CCCC2)C1C(=O)[O-]	REAL300003202482	0	42	-2.0	-121.25	354.93	5.66	-115.59
CC1=C(CC(=O)N2CC3(CCCC3)C2C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003202485	1	48	-2.0	-117.65	395.62	6.72	-110.93
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC2(CCCC2)C1C(=O)[O-]	REAL300003202488	0	48	-2.0	-115.57	393.17	6.69	-108.88
CC1=C(C(=O)N2CC3(CCCC3)C2C(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300003202568	1	48	-2.0	-136.29	382.23	7.17	-129.12
O=C([O-])C1N(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CC12CCCC2	REAL300003203599	1	38	-2.0	-136.01	322.96	8.69	-127.32
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CC3(CCCC3)C2C(=O)[O-])C=N1	REAL300003203707	0	41	-2.0	-110.72	345.08	4.68	-106.04
O=C([O-])C1N(C(=O)C2=CN=C(C3CC3)[N-]C2=O)CC12CCCC2	REAL300003203740	1	40	-2.0	-119.76	327.59	6.58	-113.18
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CC4(CCCC4)C3C(=O)[O-])=N2)=C1	REAL300003203798	0	51	-2.0	-146.08	407.83	10.22	-135.86
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CC4(CCCC4)C3C(=O)[O-])=N2)C=C1	REAL300003203799	0	51	-2.0	-145.22	407.75	10.22	-135.00
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CC3(CCCC3)C2C(=O)[O-])=N1	REAL300003203889	0	45	-2.0	-129.52	378.09	8.64	-120.88
O=C([O-])C1N(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CC12CCCC2	REAL300003203894	0	42	-2.0	-143.52	353.97	8.37	-135.15
O=C([O-])C1N(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)CC12CCCC2	REAL300003203925	1	40	-2.0	-136.05	329.31	8.71	-127.34
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CC4(CCCC4)C3C(=O)[O-])=N2)=C1	REAL300003204078	0	45	-2.0	-150.48	372.30	8.96	-141.52
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC3(CCCC3)C2C(=O)[O-])=N1	REAL300003204079	0	48	-2.0	-136.58	391.63	9.37	-127.21
CC1=C(CC(=O)N2CC3(CCCC3)C2C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003204150	1	48	-2.0	-115.63	395.80	6.71	-108.92
O=C([O-])C1N(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)CC12CCCC2	REAL300003204200	0	35	-2.0	-105.65	305.83	7.14	-98.51
COC1=C(C(=O)N2CC3(CCCC3)C2C(=O)[O-])NC(=O)[N-]C1=O	REAL300003204211	1	38	-2.0	-106.03	312.56	2.05	-103.98
O=C([O-])C1N(C(=O)C2=CC=C([O-])C(Cl)=C2)CC12CCCC2	REAL300003204336	0	35	-2.0	-109.84	300.29	7.07	-102.77
CCOC1=CC(C(=O)N2CC3(CCCC3)C2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300003204339	1	42	-2.0	-111.22	350.68	8.12	-103.10
COC1=CC=C(N2C=C([O-])C(C(=O)N3CC4(CCCC4)C3C(=O)[O-])=N2)C=C1	REAL300003204351	0	46	-2.0	-133.09	379.85	6.92	-126.17
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC3(CCCC3)C2C(=O)[O-])=CO1	REAL300003204374	1	39	-2.0	-114.53	335.89	2.51	-112.02
O=C([O-])C1N(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC12CCCC2	REAL300003204531	0	38	-2.0	-98.08	321.64	5.83	-92.25
O=C([O-])C1N(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC12CCCC2	REAL300003204531	1	38	-2.0	-98.02	321.71	5.83	-92.19
COCC1=NC=C(C(=O)N2CC3(CCCC3)C2C(=O)[O-])C(=O)[N-]1	REAL300003204850	1	40	-2.0	-118.65	328.81	4.23	-114.42
O=C([O-])C1N(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)CC12CCCC2	REAL300003204894	1	43	-2.0	-119.95	343.34	7.13	-112.82
O=C([O-])C1N(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC12CCCC2	REAL300003205192	0	35	-2.0	-112.45	321.11	8.36	-104.09
CC1=C(C(=O)N2CC3(CCCC3)C2C(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300003205492	0	43	-2.0	-138.04	362.51	6.24	-131.80
CC1=C(CCC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300003210281	1	48	-2.0	-99.72	389.25	5.62	-94.10
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300003210588	0	38	-2.0	-98.85	331.80	3.44	-95.41
O=C([O-])[C@H]1C[C@H](NC(=O)C2=CC=CC(S(=O)(=O)[N-]C3=CC=C(F)C=C3)=C2)C1	REAL300003210830	1	42	-2.0	-96.04	377.24	5.69	-90.35
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300003210871	0	38	-2.0	-99.82	331.86	3.65	-96.17
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300003210909	1	40	-2.0	-103.25	354.23	8.58	-94.67
O=C([O-])[C@H]1C[C@H](NC(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C=C3)C=C2)C1	REAL300003210956	1	42	-2.0	-90.70	376.96	5.71	-84.99
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300003210958	1	45	-2.0	-93.41	390.65	6.41	-87.00
O=C([O-])[C@H]1C[C@H](NC(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3)C=C2)C1	REAL300003211071	1	42	-2.0	-97.09	370.57	5.66	-91.43
O=C([O-])[C@H]1C[C@H](NC(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)C1	REAL300003211072	1	42	-2.0	-99.89	370.74	5.64	-94.25
CC1=CC(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300003211082	0	38	-2.0	-82.20	352.38	3.82	-78.38
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=C2)C=C1	REAL300003211201	1	45	-2.0	-93.87	392.47	6.31	-87.56
O=C([O-])[C@H]1C[C@H](NC(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CS3)C=C2)C1	REAL300003211283	0	39	-2.0	-95.39	362.91	4.66	-90.73
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)O1	REAL300003211299	1	41	-2.0	-90.47	357.63	1.90	-88.57
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)O1	REAL300003211300	1	32	-2.0	-89.71	302.79	-0.55	-90.26
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)=C2)C=C1	REAL300003211406	1	45	-2.0	-102.52	392.22	6.30	-96.22
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)=C2)=C1	REAL300003211443	1	45	-2.0	-102.92	392.15	6.31	-96.61
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300003211514	0	42	-2.0	-104.18	366.72	1.65	-102.53
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300003211561	0	35	-2.0	-98.43	309.99	2.76	-95.67
O=C([O-])[C@H]1C[C@H](NC(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CS3)=C2)C1	REAL300003211570	0	39	-2.0	-98.42	363.08	4.65	-93.77
O=C([O-])[C@H]1C[C@H](NC(=O)CC2=CC=C([N-]S(=O)(=O)C3=CC=CS3)C=C2)C1	REAL300003211571	0	42	-2.0	-106.18	387.65	5.31	-100.87
CC(C)C(=O)[N-]C1=NC(CC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=CS1	REAL300003211867	1	39	-2.0	-99.19	344.28	3.85	-95.34
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300003212035	0	35	-2.0	-92.72	316.40	2.83	-89.89
CC1=C(CC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003212044	1	41	-2.0	-106.29	355.46	4.06	-102.23
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300003212049	0	41	-2.0	-100.39	353.37	4.44	-95.95
CC1=C(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300003212094	1	41	-2.0	-96.11	334.87	4.27	-91.84
O=C([O-])[C@H]1C[C@H](NC(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3)C=C2)C1	REAL300003212197	1	42	-2.0	-93.41	370.72	5.64	-87.77
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300003212606	0	41	-2.0	-103.16	355.87	5.01	-98.15
O=C([O-])[C@H]1C[C@H](NC(=O)C2=CC(Br)=C([O-])C(Br)=C2)C1	REAL300003212681	0	28	-2.0	-84.50	290.37	4.97	-79.53
O=C([O-])[C@H]1C[C@H](NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300003212733	1	31	-2.0	-98.85	286.22	6.22	-92.63
CS(=O)(=O)[N-]C1=CC=C(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=N1	REAL300003212807	0	34	-2.0	-94.16	311.39	1.78	-92.38
O=C([O-])[C@H]1C[C@H](NC(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=NC=C3)C=C2)C1	REAL300003212860	1	41	-2.0	-89.66	366.12	3.88	-85.78
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)=N2)C=C1	REAL300003212875	0	44	-2.0	-110.13	370.64	6.83	-103.30
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=N1	REAL300003212929	0	38	-2.0	-106.79	338.14	5.95	-100.84
O=C([O-])[C@H]1C[C@H](NC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)C1	REAL300003212958	0	35	-2.0	-84.93	332.68	3.08	-81.85
O=C([O-])[C@H]1C[C@H](NC(=O)C2=CN=C(I)C([O-])=C2)C1	REAL300003212988	0	27	-2.0	-88.06	271.50	2.81	-85.25
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)=N2)=C1	REAL300003213021	0	38	-2.0	-114.15	335.48	5.56	-108.59
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=N1	REAL300003213022	0	41	-2.0	-111.52	344.56	6.72	-104.80
CC1=C(CC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003213045	1	41	-2.0	-104.96	354.73	4.00	-100.96
CCOC1=CC(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300003213111	1	35	-2.0	-92.20	317.07	5.23	-86.97
O=C([O-])[C@H]1C[C@H](NC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])C1	REAL300003213115	0	38	-2.0	-114.80	340.30	6.35	-108.45
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)=N2)C=C1	REAL300003213120	0	39	-2.0	-110.17	340.27	4.22	-105.95
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=CO1	REAL300003213135	1	32	-2.0	-93.35	301.59	-0.56	-93.91
O=C([O-])[C@H]1C[C@H](NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300003213556	0	28	-2.0	-95.25	280.60	6.25	-89.00
CC1=C(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300003213723	0	36	-2.0	-99.08	314.30	3.33	-95.75
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)C1=N[N-]C2=CC=CC=C2C1=O	REAL300003214467	0	39	-2.0	-130.58	320.71	7.45	-123.13
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])C=C1	REAL300003214945	1	47	-2.0	-140.17	389.10	10.58	-129.59
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])O1	REAL300003215306	1	48	-2.0	-109.04	392.37	3.80	-105.24
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])O1	REAL300003215307	1	39	-2.0	-106.88	336.92	1.39	-105.49
CC(C)C(=O)[N-]C1=NC(CC(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])=CS1	REAL300003215805	1	46	-2.0	-124.71	378.14	5.92	-118.79
CC1=C(CC(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003215999	1	48	-2.0	-142.90	389.13	6.10	-136.80
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300003216869	1	38	-2.0	-128.35	320.16	8.27	-120.08
CS(=O)(=O)[N-]C1=CC=C(C(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])C=N1	REAL300003216953	0	41	-2.0	-114.17	345.03	3.90	-110.27
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300003216974	1	40	-2.0	-126.20	323.28	5.17	-121.03
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3C(=O)[O-])=N2)=C1	REAL300003217025	0	51	-2.0	-147.51	404.50	8.92	-138.59
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3C(=O)[O-])=N2)C=C1	REAL300003217026	0	51	-2.0	-146.12	405.06	8.78	-137.34
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])=N1	REAL300003217088	0	45	-2.0	-140.26	366.64	8.00	-132.26
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300003217093	0	42	-2.0	-141.84	350.70	7.07	-134.77
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300003217117	1	40	-2.0	-145.71	324.75	7.89	-137.82
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3C(=O)[O-])=N2)=C1	REAL300003217241	0	45	-2.0	-150.43	369.06	7.65	-142.78
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])=N1	REAL300003217242	0	48	-2.0	-147.89	378.63	8.78	-139.11
CC1=C(CC(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003217292	1	48	-2.0	-141.71	388.40	6.04	-135.67
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300003217335	0	35	-2.0	-105.73	305.81	6.29	-99.44
COC1=C(C(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])NC(=O)[N-]C1=O	REAL300003217342	1	38	-2.0	-106.99	311.65	1.41	-105.58
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300003217432	0	35	-2.0	-107.15	299.66	6.25	-100.90
CCOC1=CC(C(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300003217435	1	42	-2.0	-112.13	350.81	7.28	-104.85
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3C(=O)[O-])=N2)C=C1	REAL300003217443	0	46	-2.0	-145.31	374.35	6.17	-139.14
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])=CO1	REAL300003217457	1	39	-2.0	-108.23	335.42	1.54	-106.69
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300003217585	0	38	-2.0	-98.83	319.84	4.29	-94.54
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300003217585	1	38	-2.0	-98.75	319.91	4.29	-94.46
COCC1=NC=C(C(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])C(=O)[N-]1	REAL300003217831	1	40	-2.0	-124.47	325.15	2.84	-121.63
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300003217868	1	43	-2.0	-124.35	338.75	5.58	-118.77
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300003218094	0	35	-2.0	-122.94	314.63	8.28	-114.66
CC1=C(CCC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300003218832	1	54	-2.0	-103.60	413.85	8.00	-95.60
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)=C1	REAL300003219185	0	44	-2.0	-103.47	355.54	5.32	-98.15
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	REAL300003219497	0	44	-2.0	-105.60	358.34	5.53	-100.07
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)C=C1	REAL300003219547	1	46	-2.0	-100.37	377.45	10.82	-89.55
C[C@H]1CN(C(=O)C2=CC=C(S(=O)(=O)[N-]C(C)(C)C)O2)CC[C@H]1C(=O)[O-]	REAL300003219999	1	47	-2.0	-93.02	378.98	4.27	-88.75
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)O1	REAL300003220000	1	38	-2.0	-92.23	324.21	1.82	-90.41
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)=C1	REAL300003220231	0	48	-2.0	-112.08	393.70	3.57	-108.51
C[C@H]1CN(C(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)CC[C@H]1C(=O)[O-]	REAL300003220277	0	41	-2.0	-104.02	336.88	4.63	-99.39
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)=CS1	REAL300003220651	1	45	-2.0	-98.08	367.73	6.23	-91.85
C[C@H]1CN(C(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)CC[C@H]1C(=O)[O-]	REAL300003220886	0	41	-2.0	-97.32	344.27	4.75	-92.57
CC1=C(CC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003220891	1	47	-2.0	-102.03	377.68	6.39	-95.64
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	REAL300003220895	0	47	-2.0	-105.80	380.82	6.35	-99.45
CC1=C(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300003220966	1	47	-2.0	-108.55	367.42	5.97	-102.58
C[C@H]1CN(C(=O)C2=CC3=CC=CC=C3C=C2[N-]S(C)(=O)=O)CC[C@H]1C(=O)[O-]	REAL300003221716	0	47	-2.0	-109.56	383.82	6.94	-102.62
C[C@H]1CN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CC[C@H]1C(=O)[O-]	REAL300003221911	1	37	-2.0	-104.21	313.95	7.05	-97.16
C[C@H]1CN(C(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)CC[C@H]1C(=O)[O-]	REAL300003222010	0	40	-2.0	-95.39	333.48	3.72	-91.67
C[C@H]1CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)CC[C@H]1C(=O)[O-]	REAL300003222041	1	39	-2.0	-106.52	319.67	5.19	-101.33
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CC[C@@H](C(=O)[O-])[C@@H](C)C3)=N2)=C1	REAL300003222095	0	50	-2.0	-113.38	392.37	9.43	-103.95
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CC[C@@H](C(=O)[O-])[C@@H](C)C3)=N2)C=C1	REAL300003222096	0	50	-2.0	-112.05	392.31	9.44	-102.61
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)=N1	REAL300003222172	0	44	-2.0	-105.19	363.90	7.96	-97.23
C[C@H]1CN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CC[C@H]1C(=O)[O-]	REAL300003222177	0	41	-2.0	-109.87	338.52	7.58	-102.29
C[C@H]1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)CC[C@H]1C(=O)[O-]	REAL300003222201	1	39	-2.0	-111.34	310.72	8.71	-102.63
C[C@H]1CN(C(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)CC[C@H]1C(=O)[O-]	REAL300003222221	0	41	-2.0	-83.62	356.77	5.10	-78.52
C[C@H]1CN(C(=O)C2=CN=C(I)C([O-])=C2)CC[C@H]1C(=O)[O-]	REAL300003222270	0	33	-2.0	-86.83	293.76	4.81	-82.02
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CC[C@@H](C(=O)[O-])[C@@H](C)C3)=N2)=C1	REAL300003222333	0	44	-2.0	-116.32	356.87	8.16	-108.16
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)=N1	REAL300003222334	0	47	-2.0	-114.43	372.45	9.21	-105.22
CC1=C(CC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003222394	1	47	-2.0	-100.43	378.96	6.42	-94.01
C[C@H]1CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)CC[C@H]1C(=O)[O-]	REAL300003222437	0	34	-2.0	-90.09	294.93	6.29	-83.80
COC1=C(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)NC(=O)[N-]C1=O	REAL300003222445	1	37	-2.0	-91.79	308.41	0.21	-91.58
CCOC1=CC(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)=CC(Cl)=C1[O-]	REAL300003222552	1	41	-2.0	-94.41	339.78	7.26	-87.15
C[C@H]1CN(C(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])CC[C@H]1C(=O)[O-]	REAL300003222556	0	44	-2.0	-119.76	366.72	8.39	-111.37
COC1=CC=C(N2C=C([O-])C(C(=O)N3CC[C@@H](C(=O)[O-])[C@@H](C)C3)=N2)C=C1	REAL300003222564	0	45	-2.0	-111.53	361.58	6.81	-104.72
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)=CO1	REAL300003222584	1	38	-2.0	-91.52	323.08	1.52	-90.00
C[C@H]1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC[C@H]1C(=O)[O-]	REAL300003222715	0	37	-2.0	-85.14	305.20	5.07	-80.07
C[C@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[C@H]1C(=O)[O-]	REAL300003222715	1	37	-2.0	-85.11	305.27	5.07	-80.04
COCC1=NC=C(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)C(=O)[N-]1	REAL300003222987	1	39	-2.0	-94.18	314.00	2.64	-91.54
C[C@H]1CN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)CC[C@H]1C(=O)[O-]	REAL300003223026	1	42	-2.0	-94.03	327.80	5.60	-88.43
C[C@H]1CN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC[C@H]1C(=O)[O-]	REAL300003223287	0	34	-2.0	-99.90	308.00	7.12	-92.78
CC1=C(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300003223548	0	42	-2.0	-111.05	349.15	5.31	-105.74
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)=C1	REAL300003224394	1	44	-2.0	-95.25	376.54	3.81	-91.44
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1	REAL300003224693	1	44	-2.0	-96.28	376.65	4.04	-92.24
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)O1	REAL300003225151	1	47	-2.0	-87.53	404.24	2.52	-85.01
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)O1	REAL300003225152	1	38	-2.0	-87.32	350.62	-0.02	-87.34
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)C=N1	REAL300003225413	0	41	-2.0	-94.94	355.17	3.15	-91.79
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)=CS1	REAL300003225753	1	45	-2.0	-95.11	389.35	4.25	-90.86
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)C=N1	REAL300003225983	0	41	-2.0	-89.96	364.60	3.36	-86.60
CC1=C(CC(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003225985	1	47	-2.0	-99.79	399.28	4.40	-95.39
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1	REAL300003225988	1	47	-2.0	-97.33	399.59	4.88	-92.45
CC1=C(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300003226071	1	47	-2.0	-94.48	382.33	4.78	-89.70
COC1=CC=C(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C([O-])=C1	REAL300003226576	1	38	-2.0	-101.32	322.03	4.83	-96.49
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2=CC=C([O-])C(F)=C2)C=N1	REAL300003227129	1	34	-2.0	-88.53	304.00	4.23	-84.30
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C=N1	REAL300003227141	1	37	-2.0	-95.82	334.32	6.65	-89.17
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C=N1	REAL300003227247	0	40	-2.0	-91.02	356.20	2.17	-88.85
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)C=N1	REAL300003227282	1	39	-2.0	-93.23	335.51	3.63	-89.60
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3=CN(C(C)(C)C(=O)[O-])N=C3)=N2)=C1	REAL300003227340	0	50	-2.0	-107.96	415.80	7.20	-100.76
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=CN(C(C)(C)C(=O)[O-])N=C3)=N2)C=C1	REAL300003227341	0	50	-2.0	-106.66	415.73	7.21	-99.45
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)=N1	REAL300003227437	0	44	-2.0	-104.00	384.70	6.37	-97.63
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C=N1	REAL300003227442	0	41	-2.0	-104.98	363.39	5.40	-99.58
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C=N1	REAL300003227484	0	39	-2.0	-106.53	335.09	6.12	-100.41
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CN(C(C)(C)C(=O)[O-])N=C3)=N2)=C1	REAL300003227649	0	44	-2.0	-111.13	383.32	6.07	-105.06
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)=N1	REAL300003227650	0	47	-2.0	-108.49	392.84	7.21	-101.28
CC1=C(CC(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003227727	1	47	-2.0	-98.69	400.90	4.45	-94.24
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C=N1	REAL300003227789	0	34	-2.0	-85.03	318.41	4.70	-80.33
CC(C)(C(=O)[O-])N1C=C(NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL300003227905	0	37	-2.0	-92.45	323.02	3.08	-89.37
CC(C)(C(=O)[O-])N1C=C(NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL300003227905	1	37	-2.0	-92.44	322.97	3.06	-89.38
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2=CC=C([O-])C(Cl)=C2)C=N1	REAL300003227942	0	34	-2.0	-85.00	312.20	4.64	-80.36
CCOC1=CC(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)=CC(Cl)=C1[O-]	REAL300003227946	1	41	-2.0	-89.24	363.25	5.67	-83.57
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CN(C(C)(C)C(=O)[O-])N=C3)=N2)C=C1	REAL300003227956	0	45	-2.0	-106.63	385.01	4.58	-102.05
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)=CO1	REAL300003227980	1	38	-2.0	-89.99	348.17	-0.13	-90.12
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)C=N1	REAL300003228073	0	42	-2.0	-94.73	362.20	8.64	-86.09
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)C=N1	REAL300003228073	1	42	-2.0	-94.81	362.25	8.61	-86.20
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=N1	REAL300003228146	0	37	-2.0	-81.22	331.97	2.78	-78.44
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=N1	REAL300003228146	1	37	-2.0	-81.26	332.04	2.79	-78.47
COCC1=NC=C(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C(=O)[N-]1	REAL300003228481	1	39	-2.0	-92.23	337.36	1.28	-90.95
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C=N1	REAL300003228529	1	42	-2.0	-92.81	349.81	4.12	-88.69
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C=N1	REAL300003228851	0	34	-2.0	-92.38	328.40	6.69	-85.69
CC1=C(CCC(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300003231042	1	51	-2.0	-111.72	403.05	6.69	-105.03
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300003231571	1	43	-2.0	-112.69	366.00	9.53	-103.16
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300003231718	1	45	-2.0	-109.02	384.37	6.70	-102.32
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300003231719	1	45	-2.0	-118.07	384.82	6.95	-111.12
CC1=CC(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300003231730	0	41	-2.0	-98.50	365.02	5.10	-93.40
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300003231914	0	42	-2.0	-113.42	375.57	5.74	-107.68
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])O1	REAL300003231931	1	44	-2.0	-107.90	371.06	3.11	-104.79
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])O1	REAL300003231932	1	35	-2.0	-106.27	315.61	0.69	-105.58
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300003232160	0	42	-2.0	-116.00	376.75	5.96	-110.04
CC(C)C(=O)[N-]C1=NC(CC(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CS1	REAL300003232414	1	42	-2.0	-111.70	357.20	5.11	-106.59
CC1=C(CC(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003232586	1	44	-2.0	-106.80	368.02	5.07	-101.73
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300003232715	1	45	-2.0	-96.98	384.55	6.69	-90.29
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300003233247	1	34	-2.0	-106.04	300.07	7.23	-98.81
CS(=O)(=O)[N-]C1=CC=C(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=N1	REAL300003233313	0	37	-2.0	-112.13	324.06	3.05	-109.08
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300003233358	1	44	-2.0	-92.80	379.59	4.91	-87.89
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N[C@H]3CCC[C@H]3C(=O)[O-])=N2)=C1	REAL300003233372	0	47	-2.0	-143.82	383.61	8.09	-135.73
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N[C@H]3CCC[C@H]3C(=O)[O-])=N2)C=C1	REAL300003233373	0	47	-2.0	-141.65	383.60	8.09	-133.56
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=N1	REAL300003233420	0	41	-2.0	-121.41	352.18	6.95	-114.46
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300003233424	0	38	-2.0	-140.36	329.81	6.24	-134.12
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300003233439	1	36	-2.0	-142.01	303.11	7.07	-134.94
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300003233455	0	38	-2.0	-100.71	346.36	4.39	-96.32
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=CN=C(I)C([O-])=C1	REAL300003233485	0	30	-2.0	-105.84	285.56	4.12	-101.72
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@H]3CCC[C@H]3C(=O)[O-])=N2)=C1	REAL300003233517	0	41	-2.0	-146.48	348.16	6.82	-139.66
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=N1	REAL300003233518	0	44	-2.0	-128.89	365.61	7.67	-121.22
CC1=C(CC(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003233543	1	44	-2.0	-113.23	367.39	5.34	-107.89
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300003233568	0	31	-2.0	-103.33	284.86	5.50	-97.83
CCOC1=CC(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300003233626	1	38	-2.0	-109.54	329.68	6.47	-103.07
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300003233629	0	41	-2.0	-147.48	353.31	7.61	-139.87
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@H]3CCC[C@H]3C(=O)[O-])=N2)C=C1	REAL300003233633	0	42	-2.0	-140.88	352.88	5.47	-135.41
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CO1	REAL300003233643	1	35	-2.0	-90.63	312.67	0.53	-90.10
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300003233737	0	34	-2.0	-91.03	296.43	3.44	-87.59
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300003233737	1	34	-2.0	-91.00	296.50	3.44	-87.56
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300003233936	1	39	-2.0	-118.78	318.04	4.95	-113.83
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300003234089	0	31	-2.0	-119.76	293.23	7.52	-112.24
CC1=C(CCC(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300003236591	1	51	-2.0	-97.52	401.94	7.22	-90.30
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300003237120	1	43	-2.0	-103.59	366.56	10.14	-93.45
CN(C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003237267	1	45	-2.0	-97.05	380.84	6.84	-90.21
CN(C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003237268	1	45	-2.0	-99.79	382.26	6.86	-92.93
CC1=CC(C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300003237279	0	41	-2.0	-81.86	362.40	5.05	-76.81
CN(C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003237463	0	42	-2.0	-95.48	372.74	5.84	-89.64
CN(C(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003237480	1	44	-2.0	-90.38	366.49	3.64	-86.74
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)O1	REAL300003237481	1	35	-2.0	-90.08	312.49	1.13	-88.95
CN(C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003237709	0	42	-2.0	-99.53	371.15	5.72	-93.81
CC(C)C(=O)[N-]C1=NC(CC(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=CS1	REAL300003237963	1	42	-2.0	-98.57	357.50	5.44	-93.13
CC1=C(CC(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003238135	1	44	-2.0	-103.24	367.85	5.66	-97.58
CN(C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003238264	1	45	-2.0	-92.55	379.04	6.80	-85.75
CN(C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003238796	1	34	-2.0	-100.10	300.48	6.57	-93.53
CN(C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003238862	0	37	-2.0	-95.40	322.74	3.01	-92.39
CN(C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003238907	1	44	-2.0	-88.91	374.08	5.01	-83.90
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N(C)[C@H]3C[C@@H](C(=O)[O-])C3)=N2)=C1	REAL300003238921	0	47	-2.0	-111.73	380.76	8.69	-103.04
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N(C)[C@H]3C[C@@H](C(=O)[O-])C3)=N2)C=C1	REAL300003238922	0	47	-2.0	-110.34	380.72	8.68	-101.66
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=N1	REAL300003238969	0	41	-2.0	-106.77	347.49	7.83	-98.94
CN(C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003238973	0	38	-2.0	-107.55	327.18	6.82	-100.73
CN(C(=O)C1=C([O-])C2=CC=CC=C2C=N1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003238988	1	36	-2.0	-110.07	299.82	8.04	-102.03
CN(C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003239004	0	38	-2.0	-82.53	342.55	4.28	-78.25
CN(C(=O)C1=CN=C(I)C([O-])=C1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003239034	0	30	-2.0	-87.81	282.13	3.94	-83.87
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N(C)[C@H]3C[C@@H](C(=O)[O-])C3)=N2)=C1	REAL300003239066	0	41	-2.0	-113.95	345.57	7.41	-106.54
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=N1	REAL300003239067	0	44	-2.0	-112.74	361.15	8.38	-104.36
CC1=C(CC(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003239092	1	44	-2.0	-101.72	367.23	5.60	-96.12
CN(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003239117	0	31	-2.0	-88.70	280.40	5.32	-83.38
CCOC1=CC(C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300003239175	1	38	-2.0	-92.07	327.85	6.45	-85.62
CN(C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003239178	0	41	-2.0	-115.41	339.72	7.69	-107.72
COC1=CC=C(N2C=C([O-])C(C(=O)N(C)[C@H]3C[C@@H](C(=O)[O-])C3)=N2)C=C1	REAL300003239182	0	42	-2.0	-110.44	349.98	6.07	-104.37
C[N-]S(=O)(=O)C1=CC(C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=CO1	REAL300003239192	1	35	-2.0	-90.35	309.45	0.71	-89.64
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003239286	0	34	-2.0	-84.30	295.62	4.52	-79.78
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003239286	1	34	-2.0	-84.26	295.68	4.55	-79.71
CN(C(=O)C1=CN=C(C2CCC2)[N-]C1=O)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003239485	1	39	-2.0	-100.55	324.55	4.89	-95.66
CN(C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003239638	0	31	-2.0	-94.94	293.28	6.95	-87.99
CC1=C(CCC(=O)N2CC3CC2(C(=O)[O-])C3)C(=O)[N-]C(N2CCOCC2)=N1	REAL300003240796	1	49	-2.0	-121.98	389.90	7.87	-114.11
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300003241317	1	41	-2.0	-137.04	353.60	10.79	-126.25
O=C([O-])C12CC(C1)CN2C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300003241465	1	43	-2.0	-114.84	363.86	7.41	-107.43
O=C([O-])C12CC(C1)CN2C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300003241466	1	43	-2.0	-126.39	364.26	7.40	-118.99
CC1=CC(C(=O)N2CC3CC2(C(=O)[O-])C3)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300003241477	0	39	-2.0	-99.60	345.35	5.60	-94.00
O=C([O-])C12CC(C1)CN2C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300003241658	0	40	-2.0	-121.42	355.79	6.41	-115.01
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC3CC2(C(=O)[O-])C3)O1	REAL300003241676	1	42	-2.0	-102.68	356.09	4.12	-98.56
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC3CC2(C(=O)[O-])C3)O1	REAL300003241677	1	33	-2.0	-101.46	301.32	1.67	-99.79
O=C([O-])C12CC(C1)CN2C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300003241901	0	40	-2.0	-124.38	356.06	6.43	-117.95
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC3CC2(C(=O)[O-])C3)=CS1	REAL300003242147	1	40	-2.0	-130.42	344.80	6.08	-124.34
CC1=C(CC(=O)N2CC3CC2(C(=O)[O-])C3)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003242315	1	42	-2.0	-136.94	354.80	6.28	-130.66
O=C([O-])C12CC(C1)CN2C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300003242442	1	43	-2.0	-112.06	366.34	7.40	-104.66
O=C([O-])C12CC(C1)CN2C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300003242945	1	32	-2.0	-138.66	282.58	7.49	-131.17
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CC3CC2(C(=O)[O-])C3)C=N1	REAL300003243009	0	35	-2.0	-119.75	304.39	3.57	-116.18
O=C([O-])C12CC(C1)CN2C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300003243054	1	42	-2.0	-108.27	361.39	5.63	-102.64
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CC4CC3(C(=O)[O-])C4)=N2)=C1	REAL300003243068	0	45	-2.0	-146.14	366.95	9.14	-137.00
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CC4CC3(C(=O)[O-])C4)=N2)C=C1	REAL300003243069	0	45	-2.0	-145.39	367.16	9.14	-136.25
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CC3CC2(C(=O)[O-])C3)=N1	REAL300003243114	0	39	-2.0	-141.85	334.18	8.26	-133.59
O=C([O-])C12CC(C1)CN2C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300003243118	0	36	-2.0	-142.91	313.16	7.29	-135.62
O=C([O-])C12CC(C1)CN2C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300003243146	0	36	-2.0	-110.28	325.81	4.84	-105.44
O=C([O-])C12CC(C1)CN2C(=O)C1=CN=C(I)C([O-])=C1	REAL300003243176	0	28	-2.0	-102.00	264.95	4.58	-97.42
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CC4CC3(C(=O)[O-])C4)=N2)=C1	REAL300003243208	0	39	-2.0	-152.90	333.99	7.87	-145.03
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC3CC2(C(=O)[O-])C3)=N1	REAL300003243209	0	42	-2.0	-151.07	345.32	9.00	-142.07
CC1=C(CC(=O)N2CC3CC2(C(=O)[O-])C3)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003243233	1	42	-2.0	-137.95	356.14	6.19	-131.76
CCOC1=CC(C(=O)N2CC3CC2(C(=O)[O-])C3)=CC(Cl)=C1[O-]	REAL300003243307	1	36	-2.0	-111.62	310.18	7.00	-104.62
O=C([O-])C12CC(C1)CN2C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300003243310	0	39	-2.0	-148.31	324.06	8.18	-140.13
COC1=CC=C(N2C=C([O-])C(C(=O)N3CC4CC3(C(=O)[O-])C4)=N2)C=C1	REAL300003243314	0	40	-2.0	-145.00	336.45	6.53	-138.47
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC3CC2(C(=O)[O-])C3)=CO1	REAL300003243324	1	33	-2.0	-117.35	297.79	1.39	-115.96
O=C([O-])C12CC(C1)CN2C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300003243414	0	32	-2.0	-97.03	281.34	4.81	-92.22
O=C([O-])C12CC(C1)CN2C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300003243414	1	32	-2.0	-97.02	281.41	4.81	-92.21
O=C([O-])C12CC(C1)CN2C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300003243605	1	37	-2.0	-127.15	309.47	5.64	-121.51
O=C([O-])C12CC(C1)CN2C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300003243753	0	29	-2.0	-128.78	276.51	7.40	-121.38
CC1=C(CCC(=O)NC2CCCC2(C)C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300003246652	1	54	-2.0	-112.32	419.41	7.05	-105.27
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2CCCC2(C)C(=O)[O-])=C1	REAL300003247005	0	44	-2.0	-112.18	362.17	4.90	-107.28
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1CCCC1(C)C(=O)[O-]	REAL300003247317	0	44	-2.0	-117.47	362.27	5.40	-112.07
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2CCCC2(C)C(=O)[O-])C=C1	REAL300003247367	1	46	-2.0	-111.23	384.27	10.06	-101.17
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2CCCC2(C)C(=O)[O-])O1	REAL300003247819	1	47	-2.0	-94.92	386.84	3.46	-91.46
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2CCCC2(C)C(=O)[O-])O1	REAL300003247820	1	38	-2.0	-94.33	333.22	0.92	-93.41
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2CCCC2(C)C(=O)[O-])=C1	REAL300003248051	0	48	-2.0	-119.95	396.54	3.06	-116.89
CC1(C(=O)[O-])CCCC1NC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O	REAL300003248097	0	41	-2.0	-112.15	341.60	4.63	-107.52
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2CCCC2(C)C(=O)[O-])=CS1	REAL300003248471	1	45	-2.0	-100.91	375.31	5.28	-95.63
CC1(C(=O)[O-])CCCC1NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O	REAL300003248706	0	41	-2.0	-104.90	346.58	4.25	-100.65
CC1=C(CC(=O)NC2CCCC2(C)C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003248711	1	47	-2.0	-130.15	385.22	5.79	-124.36
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1CCCC1(C)C(=O)[O-]	REAL300003248715	0	47	-2.0	-118.14	383.77	6.19	-111.95
CC1=C(C(=O)NC2CCCC2(C)C(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300003248786	1	47	-2.0	-123.39	366.61	6.13	-117.26
CC1(C(=O)[O-])CCCC1NC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O	REAL300003249536	0	47	-2.0	-117.04	387.48	6.88	-110.16
CC1(C(=O)[O-])CCCC1NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300003249731	1	37	-2.0	-113.70	316.92	7.69	-106.01
CC1(C(=O)[O-])CCCC1NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300003249830	0	40	-2.0	-110.50	341.85	3.53	-106.97
CC1(C(=O)[O-])CCCC1NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300003249861	1	39	-2.0	-121.09	320.62	5.05	-116.04
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3CCCC3(C)C(=O)[O-])=N2)=C1	REAL300003249915	0	50	-2.0	-126.76	400.81	8.25	-118.51
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3CCCC3(C)C(=O)[O-])=N2)C=C1	REAL300003249916	0	50	-2.0	-125.53	400.74	8.26	-117.27
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2CCCC2(C)C(=O)[O-])=N1	REAL300003249992	0	44	-2.0	-122.75	368.27	7.36	-115.39
CC1(C(=O)[O-])CCCC1NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300003249997	0	41	-2.0	-123.46	346.96	6.40	-117.06
CC1(C(=O)[O-])CCCC1NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300003250021	1	39	-2.0	-132.56	321.54	7.70	-124.86
CC1(C(=O)[O-])CCCC1NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300003250041	0	41	-2.0	-94.98	362.44	4.49	-90.49
CC1(C(=O)[O-])CCCC1NC(=O)C1=CN=C(I)C([O-])=C1	REAL300003250090	0	33	-2.0	-97.85	301.70	4.22	-93.63
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3CCCC3(C)C(=O)[O-])=N2)=C1	REAL300003250153	0	44	-2.0	-129.17	365.69	7.15	-122.02
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2CCCC2(C)C(=O)[O-])=N1	REAL300003250154	0	47	-2.0	-128.14	374.57	8.14	-120.00
CC1=C(CC(=O)NC2CCCC2(C)C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003250214	1	47	-2.0	-128.79	385.41	5.78	-123.01
CC1(C(=O)[O-])CCCC1NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300003250257	0	34	-2.0	-100.82	302.62	6.00	-94.82
COC1=C(C(=O)NC2CCCC2(C)C(=O)[O-])NC(=O)[N-]C1=O	REAL300003250265	1	37	-2.0	-96.19	308.75	0.80	-95.39
CCOC1=CC(C(=O)NC2CCCC2(C)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300003250372	1	41	-2.0	-106.92	347.46	6.97	-99.95
CC1(C(=O)[O-])CCCC1NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300003250376	0	44	-2.0	-129.81	370.45	7.77	-122.04
COC1=CC=C(N2C=C([O-])C(C(=O)NC3CCCC3(C)C(=O)[O-])=N2)C=C1	REAL300003250384	0	45	-2.0	-125.43	370.03	5.63	-119.80
C[N-]S(=O)(=O)C1=CC(C(=O)NC2CCCC2(C)C(=O)[O-])=CO1	REAL300003250404	1	38	-2.0	-102.73	331.75	0.86	-101.87
CC1(C(=O)[O-])CCCC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300003250535	0	37	-2.0	-94.44	316.95	4.20	-90.24
CC1(C(=O)[O-])CCCC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300003250535	1	37	-2.0	-94.42	317.02	4.21	-90.21
COCC1=NC=C(C(=O)NC2CCCC2(C)C(=O)[O-])C(=O)[N-]1	REAL300003250807	1	39	-2.0	-102.60	321.56	2.32	-100.28
CC1(C(=O)[O-])CCCC1NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300003250846	1	42	-2.0	-121.36	336.37	5.60	-115.76
CC1(C(=O)[O-])CCCC1NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300003251107	0	34	-2.0	-109.48	310.99	7.73	-101.75
CC1=C(C(=O)NC2CCCC2(C)C(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300003251368	0	42	-2.0	-107.58	344.59	4.76	-102.82
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2(CC(=O)[O-])CCOCC2)C=C1	REAL300003253216	1	47	-2.0	-123.89	383.67	8.79	-115.10
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(CC(=O)[O-])CCOCC2)O1	REAL300003253573	1	48	-2.0	-99.18	386.93	2.17	-97.01
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(CC(=O)[O-])CCOCC2)O1	REAL300003253574	1	39	-2.0	-98.08	333.32	-0.36	-98.44
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2(CC(=O)[O-])CCOCC2)=CS1	REAL300003254061	1	46	-2.0	-102.70	375.04	4.03	-98.67
CC1=C(CC(=O)NC2(CC(=O)[O-])CCOCC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003254257	1	48	-2.0	-107.76	385.01	4.18	-103.58
O=C([O-])CC1(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CCOCC1	REAL300003255134	1	38	-2.0	-111.32	317.03	6.26	-105.06
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2(CC(=O)[O-])CCOCC2)C=N1	REAL300003255220	0	41	-2.0	-103.01	341.93	1.98	-101.03
O=C([O-])CC1(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)CCOCC1	REAL300003255242	1	40	-2.0	-109.95	320.03	3.49	-106.46
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3(CC(=O)[O-])CCOCC3)=N2)=C1	REAL300003255294	0	51	-2.0	-129.91	401.53	7.00	-122.91
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3(CC(=O)[O-])CCOCC3)=N2)C=C1	REAL300003255295	0	51	-2.0	-127.96	401.46	7.00	-120.96
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2(CC(=O)[O-])CCOCC2)=N1	REAL300003255357	0	45	-2.0	-122.60	368.81	6.22	-116.38
O=C([O-])CC1(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CCOCC1	REAL300003255362	0	42	-2.0	-124.90	347.67	5.15	-119.75
O=C([O-])CC1(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)CCOCC1	REAL300003255387	1	40	-2.0	-127.44	320.83	5.89	-121.55
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3(CC(=O)[O-])CCOCC3)=N2)=C1	REAL300003255517	0	45	-2.0	-132.87	366.01	5.73	-127.14
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2(CC(=O)[O-])CCOCC2)=N1	REAL300003255518	0	48	-2.0	-128.01	375.85	6.97	-121.04
CC1=C(CC(=O)NC2(CC(=O)[O-])CCOCC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003255568	1	48	-2.0	-105.47	385.19	4.17	-101.30
O=C([O-])CC1(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)CCOCC1	REAL300003255613	0	35	-2.0	-94.78	302.91	4.52	-90.26
COC1=C(C(=O)NC2(CC(=O)[O-])CCOCC2)NC(=O)[N-]C1=O	REAL300003255620	1	38	-2.0	-97.66	308.73	-0.58	-98.24
O=C([O-])CC1(NC(=O)C2=CC=C([O-])C(Cl)=C2)CCOCC1	REAL300003255714	0	35	-2.0	-96.24	296.49	4.36	-91.88
CCOC1=CC(C(=O)NC2(CC(=O)[O-])CCOCC2)=CC(Cl)=C1[O-]	REAL300003255717	1	42	-2.0	-100.51	347.54	5.40	-95.11
COC1=CC=C(N2C=C([O-])C(C(=O)NC3(CC(=O)[O-])CCOCC3)=N2)C=C1	REAL300003255725	0	46	-2.0	-127.45	370.74	4.38	-123.07
C[N-]S(=O)(=O)C1=CC(C(=O)NC2(CC(=O)[O-])CCOCC2)=CO1	REAL300003255739	1	39	-2.0	-98.58	332.47	-0.38	-98.96
O=C([O-])CC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCOCC1	REAL300003255866	0	38	-2.0	-89.60	316.23	2.50	-87.10
O=C([O-])CC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCOCC1	REAL300003255866	1	38	-2.0	-89.59	316.30	2.49	-87.10
COCC1=NC=C(C(=O)NC2(CC(=O)[O-])CCOCC2)C(=O)[N-]1	REAL300003256108	1	40	-2.0	-108.66	321.87	1.15	-107.51
O=C([O-])CC1(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)CCOCC1	REAL300003256145	1	43	-2.0	-110.11	335.78	4.05	-106.06
O=C([O-])CC1(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCOCC1	REAL300003256376	0	35	-2.0	-107.72	311.09	6.29	-101.43
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)O1	REAL300003258239	1	35	-2.0	-95.80	349.39	1.84	-93.96
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=CS1	REAL300003258657	1	42	-2.0	-114.66	391.15	6.24	-108.42
O=C([O-])C(NC(=O)C1=CC=C([O-])C(F)=C1)C1=CC=C(Cl)C=C1	REAL300003259705	1	31	-2.0	-99.12	302.11	6.14	-92.98
O=C([O-])C(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1=CC=C(Cl)C=C1	REAL300003259716	1	34	-2.0	-117.17	333.08	8.61	-108.56
O=C([O-])C(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL300003259751	0	31	-2.0	-95.47	299.56	4.18	-91.29
O=C([O-])C(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL300003259751	1	31	-2.0	-95.46	299.61	4.20	-91.26
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C=N1	REAL300003259817	0	37	-2.0	-103.20	357.95	4.18	-99.02
O=C([O-])C(NC(=O)C1=CN=CC([O-])=C1)C1=CC=C(Cl)C=C1	REAL300003259877	1	30	-2.0	-102.87	291.55	4.18	-98.69
O=C([O-])C(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1=CC=C(Cl)C=C1	REAL300003259959	0	38	-2.0	-128.16	363.10	7.41	-120.75
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COCC1=NC=C(C(=O)N2CCC(C(CC(=O)[O-])C3=CC=CC=C3)CC2)C(=O)[N-]1	REAL300003272708	1	52	-2.0	-95.52	413.23	6.51	-89.01
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(CC2=CC=C(F)C=C2)C(=O)[O-])O1	REAL300003274261	1	41	-2.0	-94.73	372.50	2.63	-92.10
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003274448	0	44	-2.0	-99.96	380.06	5.93	-94.03
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O=C([O-])C(CNC(=O)C1=CC=C([O-])C(Cl)=C1)CC1=CC=C(F)C=C1	REAL300003276727	0	37	-2.0	-90.68	339.05	7.29	-83.39
CCOC1=CC(C(=O)NCC(CC2=CC=C(F)C=C2)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300003276730	1	44	-2.0	-93.90	386.72	8.39	-85.51
C[N-]S(=O)(=O)C1=CC(C(=O)NCC(CC2=CC=C(F)C=C2)C(=O)[O-])=CO1	REAL300003276762	1	41	-2.0	-93.41	381.58	2.53	-90.88
O=C([O-])C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)CC1=CC=C(F)C=C1	REAL300003276918	0	40	-2.0	-86.86	358.80	5.46	-81.40
O=C([O-])C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)CC1=CC=C(F)C=C1	REAL300003276918	1	40	-2.0	-86.83	358.86	5.47	-81.36
O=C([O-])C(CNC(=O)C1=C[N-]N=CC1=O)CC1=CC=C(F)C=C1	REAL300003277189	0	35	-2.0	-98.05	316.82	5.33	-92.72
COCC1=NC=C(C(=O)NCC(CC2=CC=C(F)C=C2)C(=O)[O-])C(=O)[N-]1	REAL300003277221	1	42	-2.0	-108.79	370.67	3.93	-104.86
O=C([O-])C(CNC(=O)C1=CN=C(C2CCC2)[N-]C1=O)CC1=CC=C(F)C=C1	REAL300003277267	1	45	-2.0	-110.75	384.57	6.84	-103.91
O=C([O-])C(CNC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])CC1=CC=C(F)C=C1	REAL300003277561	0	37	-2.0	-97.30	350.26	9.45	-87.85
COC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)(F)F)C(O)=C1	REAL300003278973	0	39	-2.0	-104.38	353.63	6.62	-97.76
COC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)(F)F)C([O-])=C1	REAL300003278973	1	39	-2.0	-104.38	353.63	6.62	-97.76
O=C([O-])C1=CC=C(NC(=O)C2=CC=C([O-])C(F)=C2)C(OCC(F)(F)F)=C1	REAL300003279219	1	35	-2.0	-90.58	331.77	5.88	-84.70
O=C([O-])C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C(OCC(F)(F)F)=C1	REAL300003279260	0	35	-2.0	-87.27	329.20	3.93	-83.34
O=C([O-])C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C(OCC(F)(F)F)=C1	REAL300003279260	1	35	-2.0	-87.30	329.26	3.95	-83.35
O=C([O-])C1=CC=C(NC(=O)C2=CN=CC([O-])=C2)C(OCC(F)(F)F)=C1	REAL300003279326	1	34	-2.0	-91.07	321.43	3.99	-87.08
O=C([O-])C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C(OCC(F)(F)F)=C1	REAL300003279580	0	38	-2.0	-95.97	351.53	4.71	-91.26
O=C([O-])C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C(OCC(F)(F)F)=C1	REAL300003279580	1	38	-2.0	-96.01	351.59	4.73	-91.28
O=C([O-])C1=CC=C(NC(=O)C2=CC=C([O-])C(Cl)=C2)C(OCC(F)(F)F)=C1	REAL300003279598	0	35	-2.0	-87.18	341.56	6.36	-80.82
O=C([O-])C1=CC=C(NC(=O)C2=C[N-]N=CC2=O)C(OCC(F)(F)F)=C1	REAL300003279795	0	33	-2.0	-82.49	313.63	4.42	-78.07
CC1=C(CCC(=O)N2CCCC2CC(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300003280416	1	51	-2.0	-105.80	401.73	7.25	-98.55
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCCC2CC(=O)[O-])C=C1	REAL300003280927	1	43	-2.0	-121.57	366.60	10.14	-111.43
O=C([O-])CC1CCCN1C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300003281069	1	45	-2.0	-121.95	375.03	8.09	-113.86
O=C([O-])CC1CCCN1C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300003281070	1	45	-2.0	-133.62	375.13	8.07	-125.55
CC1=CC(C(=O)N2CCCC2CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300003281080	0	41	-2.0	-105.86	356.44	6.24	-99.62
O=C([O-])CC1CCCN1C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300003281260	0	42	-2.0	-128.10	366.95	7.08	-121.02
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC2CC(=O)[O-])O1	REAL300003281276	1	44	-2.0	-90.76	367.59	3.50	-87.26
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC2CC(=O)[O-])O1	REAL300003281277	1	35	-2.0	-89.91	312.82	1.05	-88.86
O=C([O-])CC1CCCN1C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300003281500	0	42	-2.0	-131.72	367.07	7.06	-124.66
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCCC2CC(=O)[O-])=CS1	REAL300003281748	1	42	-2.0	-113.26	356.68	5.50	-107.76
CC1=C(CC(=O)N2CCCC2CC(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003281913	1	44	-2.0	-120.28	367.10	5.61	-114.67
O=C([O-])CC1CCCN1C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300003282033	1	45	-2.0	-115.50	375.14	8.08	-107.42
O=C([O-])CC1CCCN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300003282551	1	34	-2.0	-142.04	291.85	7.99	-134.05
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCCC2CC(=O)[O-])C=N1	REAL300003282616	0	37	-2.0	-117.94	315.39	4.17	-113.77
O=C([O-])CC1CCCN1C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300003282660	1	44	-2.0	-111.47	370.20	6.31	-105.16
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCCC3CC(=O)[O-])=N2)C=C1	REAL300003282674	0	47	-2.0	-124.75	380.93	8.60	-116.15
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCCC2CC(=O)[O-])=N1	REAL300003282720	0	41	-2.0	-121.63	346.61	7.75	-113.88
O=C([O-])CC1CCCN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300003282737	1	36	-2.0	-126.16	299.85	7.85	-118.31
O=C([O-])CC1CCCN1C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300003282753	0	38	-2.0	-116.57	336.68	5.50	-111.07
O=C([O-])CC1CCCN1C(=O)C1=CN=C(I)C([O-])=C1	REAL300003282782	0	30	-2.0	-120.34	275.84	5.17	-115.17
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCCC3CC(=O)[O-])=N2)=C1	REAL300003282812	0	41	-2.0	-129.72	345.48	7.33	-122.39
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCCC2CC(=O)[O-])=N1	REAL300003282813	0	44	-2.0	-127.39	358.98	8.33	-119.06
CC1=C(CC(=O)N2CCCC2CC(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003282837	1	44	-2.0	-118.94	367.29	5.60	-113.34
O=C([O-])CC1CCCN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300003282861	0	31	-2.0	-112.66	276.28	6.68	-105.98
CCOC1=CC(C(=O)N2CCCC2CC(=O)[O-])=CC(Cl)=C1[O-]	REAL300003282917	1	38	-2.0	-118.45	321.09	7.65	-110.80
O=C([O-])CC1CCCN1C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300003282920	0	41	-2.0	-157.21	348.23	8.65	-148.56
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCCC3CC(=O)[O-])=N2)C=C1	REAL300003282924	0	42	-2.0	-124.65	350.20	5.98	-118.67
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCCC2CC(=O)[O-])=CO1	REAL300003282934	1	35	-2.0	-121.99	304.56	1.93	-120.06
O=C([O-])CC1CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300003283026	0	34	-2.0	-87.29	295.34	4.36	-82.93
O=C([O-])CC1CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300003283026	1	34	-2.0	-87.31	295.41	4.38	-82.93
O=C([O-])CC1CCCN1C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300003283218	1	39	-2.0	-100.59	314.08	4.79	-95.80
O=C([O-])CC1CCCN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300003283361	0	31	-2.0	-135.88	286.25	7.94	-127.94
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CC3=CC=C(C(=O)[O-])C=C3C2)=C1	REAL300003284295	0	42	-2.0	-100.21	366.28	5.93	-94.28
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300003284595	0	42	-2.0	-100.54	366.38	6.20	-94.34
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CC3=CC=C(C(=O)[O-])C=C3C2)C=C1	REAL300003284640	1	44	-2.0	-107.70	389.46	11.59	-96.11
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC3=CC=C(C(=O)[O-])C=C3C2)O1	REAL300003285070	1	45	-2.0	-88.22	390.01	4.91	-83.31
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC3=CC=C(C(=O)[O-])C=C3C2)O1	REAL300003285071	1	36	-2.0	-87.83	335.24	2.48	-85.35
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300003285340	0	39	-2.0	-99.23	344.91	5.30	-93.93
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC3=CC=C(C(=O)[O-])C=C3C2)=CS1	REAL300003285689	1	43	-2.0	-102.97	379.82	6.91	-96.06
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300003285923	0	39	-2.0	-93.58	351.32	5.34	-88.24
CC1=C(CC(=O)N2CC3=CC=C(C(=O)[O-])C=C3C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003285926	1	45	-2.0	-106.61	389.77	7.06	-99.55
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300003285929	0	45	-2.0	-100.99	387.88	6.99	-94.00
CC1=C(C(=O)N2CC3=CC=C(C(=O)[O-])C=C3C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300003286012	1	45	-2.0	-99.57	376.90	7.05	-92.52
O=C([O-])C1=CC=C2CN(C(=O)C3=CC=C([O-])C(F)=C3)CC2=C1	REAL300003287047	1	32	-2.0	-91.43	285.44	6.23	-85.20
O=C([O-])C1=CC=C2CN(C(=O)C3=CC=C(C(F)(F)F)C=C3[O-])CC2=C1	REAL300003287060	1	35	-2.0	-99.89	321.00	8.22	-91.67
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CC3=CC=C(C(=O)[O-])C=C3C2)C=N1	REAL300003287166	0	38	-2.0	-97.60	340.63	4.34	-93.26
O=C([O-])C1=CC=C2CN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)CC2=C1	REAL300003287200	1	37	-2.0	-98.28	330.77	5.83	-92.45
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CC4=CC=C(C(=O)[O-])C=C4C3)=N2)=C1	REAL300003287257	0	48	-2.0	-110.16	403.40	9.98	-100.18
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CC4=CC=C(C(=O)[O-])C=C4C3)=N2)C=C1	REAL300003287258	0	48	-2.0	-109.35	403.33	9.98	-99.37
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CC3=CC=C(C(=O)[O-])C=C3C2)=N1	REAL300003287350	0	42	-2.0	-106.75	370.50	9.07	-97.68
O=C([O-])C1=CC=C2CN(C(=O)C3=NN(C4=CC=CC(F)=C4)C=C3[O-])CC2=C1	REAL300003287355	0	39	-2.0	-108.28	349.55	8.13	-100.15
O=C([O-])C1=CC=C2CN(C(=O)C3=C([O-])C4=CC=CC=C4C=N3)CC2=C1	REAL300003287390	1	37	-2.0	-109.56	322.01	9.27	-100.29
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CC4=CC=C(C(=O)[O-])C=C4C3)=N2)=C1	REAL300003287552	0	42	-2.0	-113.88	367.89	8.71	-105.17
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC3=CC=C(C(=O)[O-])C=C3C2)=N1	REAL300003287553	0	45	-2.0	-111.67	382.11	9.71	-101.96
CC1=C(CC(=O)N2CC3=CC=C(C(=O)[O-])C=C3C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003287630	1	45	-2.0	-105.36	389.95	7.05	-98.31
O=C([O-])C1=CC=C2CN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)CC2=C1	REAL300003287687	0	32	-2.0	-88.75	301.46	6.78	-81.97
COC1=C(C(=O)N2CC3=CC=C(C(=O)[O-])C=C3C2)NC(=O)[N-]C1=O	REAL300003287702	1	35	-2.0	-90.19	308.37	2.44	-87.75
O=C([O-])C1=CC=C2CN(C(=O)CCCC3=N[N-]N=N3)CC2=C1	REAL300003287801	0	35	-2.0	-99.19	310.39	5.58	-93.61
O=C([O-])C1=CC=C2CN(C(=O)CCCC3=NN=N[N-]3)CC2=C1	REAL300003287801	1	35	-2.0	-99.23	310.45	5.60	-93.63
O=C([O-])C1=CC=C2CN(C(=O)C3=CC=C([O-])C(Cl)=C3)CC2=C1	REAL300003287838	0	32	-2.0	-88.36	295.24	6.72	-81.64
CCOC1=CC(C(=O)N2CC3=CC=C(C(=O)[O-])C=C3C2)=CC(Cl)=C1[O-]	REAL300003287841	1	39	-2.0	-92.67	346.31	7.76	-84.91
COC1=CC=C(N2C=C([O-])C(C(=O)N3CC4=CC=C(C(=O)[O-])C=C4C3)=N2)C=C1	REAL300003287852	0	43	-2.0	-109.66	372.62	7.36	-102.30
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC3=CC=C(C(=O)[O-])C=C3C2)=CO1	REAL300003287876	1	36	-2.0	-95.47	331.38	2.12	-93.35
CC1=C(C(=O)N2CC3=CC=C(C(=O)[O-])C=C3C2)C2=C([N-]C=NC2=O)O1	REAL300003287977	0	36	-2.0	-99.15	327.81	4.21	-94.94
O=C([O-])C1=CC=C2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2=C1	REAL300003288034	0	35	-2.0	-84.99	317.47	5.70	-79.29
O=C([O-])C1=CC=C2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2=C1	REAL300003288034	1	35	-2.0	-85.03	317.53	5.71	-79.32
COCC1=NC=C(C(=O)N2CC3=CC=C(C(=O)[O-])C=C3C2)C(=O)[N-]1	REAL300003288363	1	37	-2.0	-97.33	332.63	3.49	-93.84
O=C([O-])C1=CC=C2CN(C(=O)C3=CN=C(C4CCC4)[N-]C3=O)CC2=C1	REAL300003288408	1	40	-2.0	-97.97	346.38	6.45	-91.52
O=C([O-])C1=CC=C2CN(C(=O)C3=CC(Cl)=CC(Cl)=C3[O-])CC2=C1	REAL300003288720	0	32	-2.0	-95.89	315.08	8.27	-87.62
CC1=C(C(=O)N2CC3=CC=C(C(=O)[O-])C=C3C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300003289025	0	40	-2.0	-102.13	357.57	5.74	-96.39
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N[C@H](CC(=O)[O-])C2=CC=CC=C2)C=C1	REAL300003290139	1	46	-2.0	-120.07	398.67	10.84	-109.23
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H](CC(=O)[O-])C2=CC=CC=C2)O1	REAL300003290492	1	47	-2.0	-100.77	407.61	5.02	-95.75
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H](CC(=O)[O-])C2=CC=CC=C2)O1	REAL300003290493	1	38	-2.0	-99.86	353.99	2.48	-97.38
CC(C)C(=O)[N-]C1=NC(CC(=O)N[C@H](CC(=O)[O-])C2=CC=CC=C2)=CS1	REAL300003290977	1	45	-2.0	-113.03	388.93	6.07	-106.96
CC1=C(CC(=O)N[C@H](CC(=O)[O-])C2=CC=CC=C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003291171	1	47	-2.0	-117.79	399.79	6.26	-111.53
O=C([O-])C[C@@H](NC(=O)C1=CC=C([O-])C(F)=C1)C1=CC=CC=C1	REAL300003292067	1	34	-2.0	-101.07	307.49	6.73	-94.34
O=C([O-])C[C@@H](NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1=CC=CC=C1	REAL300003292076	1	37	-2.0	-114.89	337.68	9.25	-105.64
CS(=O)(=O)[N-]C1=CC=C(C(=O)N[C@H](CC(=O)[O-])C2=CC=CC=C2)C=N1	REAL300003292161	0	40	-2.0	-99.96	355.81	4.00	-95.96
O=C([O-])C[C@@H](NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C1=CC=CC=C1	REAL300003292186	1	39	-2.0	-102.71	332.46	5.37	-97.34
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N[C@H](CC(=O)[O-])C3=CC=CC=C3)=N2)=C1	REAL300003292236	0	50	-2.0	-132.49	422.27	9.90	-122.59
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N[C@H](CC(=O)[O-])C3=CC=CC=C3)=N2)C=C1	REAL300003292237	0	50	-2.0	-129.95	422.13	9.87	-120.08
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@H](CC(=O)[O-])C2=CC=CC=C2)=N1	REAL300003292302	0	44	-2.0	-125.43	384.17	8.87	-116.56
O=C([O-])C[C@@H](NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1=CC=CC=C1	REAL300003292307	0	41	-2.0	-126.96	368.42	8.05	-118.91
O=C([O-])C[C@@H](NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=CC=CC=C1	REAL300003292334	1	39	-2.0	-127.83	334.70	8.05	-119.78
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@H](CC(=O)[O-])C3=CC=CC=C3)=N2)=C1	REAL300003292470	0	44	-2.0	-134.38	386.69	8.59	-125.79
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@H](CC(=O)[O-])C2=CC=CC=C2)=N1	REAL300003292471	0	47	-2.0	-132.77	396.44	9.66	-123.11
CC1=C(CC(=O)N[C@H](CC(=O)[O-])C2=CC=CC=C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003292528	1	47	-2.0	-110.54	405.85	7.03	-103.51
O=C([O-])C[C@@H](NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=CC=CC=C1	REAL300003292581	0	34	-2.0	-97.34	323.36	7.29	-90.05
COC1=C(C(=O)N[C@H](CC(=O)[O-])C2=CC=CC=C2)NC(=O)[N-]C1=O	REAL300003292591	1	37	-2.0	-107.43	319.60	2.00	-105.43
O=C([O-])C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL300003292665	0	37	-2.0	-100.65	326.42	5.57	-95.08
O=C([O-])C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL300003292665	1	37	-2.0	-100.66	326.48	5.58	-95.08
O=C([O-])C[C@@H](NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=CC=CC=C1	REAL300003292694	0	34	-2.0	-98.42	317.29	7.22	-91.20
CCOC1=CC(C(=O)N[C@H](CC(=O)[O-])C2=CC=CC=C2)=CC(Cl)=C1[O-]	REAL300003292697	1	41	-2.0	-102.71	368.20	8.26	-94.45
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@H](CC(=O)[O-])C3=CC=CC=C3)=N2)C=C1	REAL300003292703	0	45	-2.0	-129.58	391.42	7.24	-122.34
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@H](CC(=O)[O-])C2=CC=CC=C2)=CO1	REAL300003292718	1	38	-2.0	-101.12	353.14	2.46	-98.66
O=C([O-])C[C@@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=C1	REAL300003292854	0	37	-2.0	-88.49	330.10	4.54	-83.95
O=C([O-])C[C@@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=C1	REAL300003292854	1	37	-2.0	-88.50	330.17	4.54	-83.96
COCC1=NC=C(C(=O)N[C@H](CC(=O)[O-])C2=CC=CC=C2)C(=O)[N-]1	REAL300003293109	1	39	-2.0	-115.61	335.42	4.29	-111.32
O=C([O-])C[C@@H](NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1=CC=CC=C1	REAL300003293151	1	42	-2.0	-102.81	348.21	5.91	-96.90
O=C([O-])C[C@@H](NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=CC=CC=C1	REAL300003293392	0	34	-2.0	-110.51	325.02	8.48	-102.03
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2OC(F)F)O1	REAL300003294705	1	36	-2.0	-91.52	347.55	0.54	-90.98
COC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2OC(F)F)C([O-])=C1	REAL300003295561	1	36	-2.0	-111.64	321.97	5.51	-106.13
O=C([O-])C1=CC=C(NC(=O)C2=CC=C([O-])C(F)=C2)C(OC(F)F)=C1	REAL300003295968	1	32	-2.0	-97.46	300.93	4.76	-92.70
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C(OC(F)F)=C1	REAL300003295980	1	35	-2.0	-105.81	331.27	7.20	-98.61
O=C([O-])C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C(OC(F)F)=C1	REAL300003296022	0	32	-2.0	-94.32	297.55	2.83	-91.49
O=C([O-])C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C(OC(F)F)=C1	REAL300003296022	1	32	-2.0	-94.30	297.61	2.85	-91.45
O=C([O-])C1=CC=C(NC(=O)C2=CN=CC([O-])=C2)C(OC(F)F)=C1	REAL300003296118	1	31	-2.0	-97.82	289.77	2.88	-94.94
O=C([O-])C1=CC=C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C(OC(F)F)=C1	REAL300003296221	0	37	-2.0	-115.22	335.07	6.82	-108.40
O=C([O-])C1=CC=C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C(OC(F)F)=C1	REAL300003296448	0	32	-2.0	-93.26	316.93	5.32	-87.94
O=C([O-])C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C(OC(F)F)=C1	REAL300003296531	0	35	-2.0	-104.21	319.05	3.62	-100.59
O=C([O-])C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C(OC(F)F)=C1	REAL300003296531	1	35	-2.0	-104.20	319.11	3.63	-100.57
O=C([O-])C1=CC=C(NC(=O)C2=CC=C([O-])C(Cl)=C2)C(OC(F)F)=C1	REAL300003296559	0	32	-2.0	-93.98	310.73	5.24	-88.74
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OC(F)F)=CO1	REAL300003296580	1	36	-2.0	-100.67	345.88	0.50	-100.17
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(OC(F)F)=C1	REAL300003296699	0	35	-2.0	-88.62	330.53	3.41	-85.21
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(OC(F)F)=C1	REAL300003296699	1	35	-2.0	-88.65	330.46	3.41	-85.24
O=C([O-])C1=CC=C(NC(=O)C2=C[N-]N=CC2=O)C(OC(F)F)=C1	REAL300003296896	0	30	-2.0	-87.25	281.98	3.31	-83.94
COCC1=NC=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2OC(F)F)C(=O)[N-]1	REAL300003296918	1	37	-2.0	-94.71	335.66	1.98	-92.73
O=C([O-])C1=CC=C(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C(OC(F)F)=C1	REAL300003297163	0	32	-2.0	-101.81	325.33	7.23	-94.58
CC1=C(CCC(=O)N(C)C(C)C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300003297742	1	47	-2.0	-99.57	374.25	6.09	-93.48
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)N(C)C(C)C(=O)[O-])C=C2)C=C1C	REAL300003297789	1	47	-2.0	-102.03	391.20	7.02	-95.01
CC(C(=O)[O-])N(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1	REAL300003298087	1	41	-2.0	-102.97	360.88	5.91	-97.06
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)N(C)C(C)C(=O)[O-])=C2)C=C1F	REAL300003298104	1	44	-2.0	-103.46	380.75	6.45	-97.01
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300003298146	1	39	-2.0	-117.20	337.92	9.05	-108.15
CC(C(=O)[O-])N(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300003298187	1	41	-2.0	-94.21	359.17	5.88	-88.33
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300003298189	1	44	-2.0	-94.89	372.81	6.59	-88.30
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)C(C)C(=O)[O-])C=C2)=C1C	REAL300003298192	1	47	-2.0	-95.95	389.30	7.03	-88.92
CC(C(=O)[O-])N(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300003298277	1	41	-2.0	-100.65	352.26	5.72	-94.93
CC(C(=O)[O-])N(C)C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300003298278	1	44	-2.0	-104.04	387.32	6.95	-97.09
CC(C(=O)[O-])N(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300003298279	1	41	-2.0	-106.55	354.01	5.74	-100.81
CC1=CC(C(=O)N(C)C(C)C(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300003298290	0	37	-2.0	-88.24	335.27	3.92	-84.32
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)C(C)C(=O)[O-])C=C2)C=C1	REAL300003298372	1	44	-2.0	-95.56	374.31	6.50	-89.06
CC(C(=O)[O-])N(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2)=C1	REAL300003298433	1	41	-2.0	-104.28	371.18	6.36	-97.92
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)N(C)C(C)C(=O)[O-])=C1	REAL300003298434	0	45	-2.0	-113.36	383.69	5.19	-108.17
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)C(C)C(=O)[O-])=C2)C=C1	REAL300003298435	1	45	-2.0	-107.97	383.98	5.13	-102.84
CC(C(=O)[O-])N(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300003298440	0	38	-2.0	-102.46	344.73	4.83	-97.63
CC(C(=O)[O-])N(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300003298453	1	40	-2.0	-93.07	338.17	2.59	-90.48
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)C(C)C(=O)[O-])=C2)C=C1	REAL300003298518	1	44	-2.0	-110.08	375.85	6.51	-103.57
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)N(C)C(C)C(=O)[O-])=CC=C2C)C=C1	REAL300003298523	1	47	-2.0	-102.67	390.42	7.30	-95.37
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)N(C)C(C)C(=O)[O-])C=C2)=CC=C1F	REAL300003298527	1	44	-2.0	-94.69	379.50	6.51	-88.18
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300003298528	1	44	-2.0	-97.67	374.68	6.67	-91.00
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300003298546	0	45	-2.0	-98.70	382.15	5.16	-93.54
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2)C=C1C(=O)N(C)C(C)C(=O)[O-]	REAL300003298547	1	44	-2.0	-92.76	380.27	6.53	-86.23
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)N(C)C(C)C(=O)[O-])=CC=C2C)=C1	REAL300003298548	1	47	-2.0	-103.93	388.66	7.24	-96.69
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)C(C)C(=O)[O-])=C2)=C1	REAL300003298549	1	44	-2.0	-110.34	375.42	6.43	-103.91
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)N(C)C(C)C(=O)[O-])=C2)=C1	REAL300003298550	1	47	-2.0	-99.25	395.34	7.21	-92.04
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)N(C)C(C)C(=O)[O-])=C2)=C1	REAL300003298553	1	47	-2.0	-106.51	390.91	7.18	-99.33
CC(C(=O)[O-])N(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300003298631	0	38	-2.0	-105.05	346.38	4.85	-100.20
CC(C(=O)[O-])N(C)C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300003298632	0	41	-2.0	-109.59	372.33	5.80	-103.79
CC(C)C(=O)[N-]C1=NC(CC(=O)N(C)C(C)C(=O)[O-])=CS1	REAL300003298818	1	38	-2.0	-102.64	328.80	4.46	-98.18
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)C(C)C(=O)[O-])C=C2)C=C1	REAL300003298873	1	45	-2.0	-93.84	382.43	5.12	-88.72
CC1=C(CC(=O)N(C)C(C)C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003298941	1	40	-2.0	-107.73	339.50	4.58	-103.15
CC(C(=O)[O-])N(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300003299053	1	41	-2.0	-94.51	352.38	5.73	-88.78
CC(C(=O)[O-])N(C)C(=O)C1=CC(Br)=C([O-])C(Br)=C1	REAL300003299339	0	27	-2.0	-87.39	270.66	5.00	-82.39
CC(C(=O)[O-])N(C)C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300003299409	0	33	-2.0	-97.16	293.78	2.00	-95.16
CC(C(=O)[O-])N(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300003299443	1	40	-2.0	-90.74	347.42	3.95	-86.79
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N(C)C(C)C(=O)[O-])=N2)=C1	REAL300003299455	0	43	-2.0	-123.01	352.90	7.69	-115.32
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N(C)C(C)C(=O)[O-])=N2)C=C1	REAL300003299456	0	43	-2.0	-120.87	353.05	7.58	-113.29
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(C)C(C)C(=O)[O-])=N1	REAL300003299478	0	37	-2.0	-117.18	320.46	6.76	-110.42
CC(C(=O)[O-])N(C)C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300003299481	0	34	-2.0	-118.51	298.91	5.79	-112.72
CC(C(=O)[O-])N(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300003299497	0	34	-2.0	-84.80	315.56	3.17	-81.63
CC(C(=O)[O-])N(C)C(=O)C1=CN=C(I)C([O-])=C1	REAL300003299514	0	26	-2.0	-90.92	254.11	2.98	-87.94
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N(C)C(C)C(=O)[O-])=N2)=C1	REAL300003299534	0	37	-2.0	-125.52	317.25	6.37	-119.15
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(C)C(C)C(=O)[O-])=N1	REAL300003299535	0	40	-2.0	-124.18	331.59	7.24	-116.94
CC1=C(CC(=O)N(C)C(C)C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003299543	1	40	-2.0	-105.93	338.91	4.59	-101.34
CCOC1=CC(C(=O)N(C)C(C)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300003299584	1	34	-2.0	-95.69	299.96	5.33	-90.36
CC(C(=O)[O-])N(C)C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300003299587	0	37	-2.0	-124.08	326.94	6.50	-117.58
COC1=CC=C(N2C=C([O-])C(C(=O)N(C)C(C)C(=O)[O-])=N2)C=C1	REAL300003299592	0	38	-2.0	-120.65	322.33	4.97	-115.68
CC1=C(CCC(=O)N(C)C(C)(C)CC(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300003300229	1	53	-2.0	-97.14	400.88	6.97	-90.17
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N(C)C(C)(C)CC(=O)[O-])C=C1	REAL300003300758	1	45	-2.0	-106.31	365.10	9.88	-96.43
CN(C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(C)(C)CC(=O)[O-]	REAL300003300904	1	47	-2.0	-105.12	372.35	6.28	-98.84
CN(C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(C)(C)CC(=O)[O-]	REAL300003300905	1	47	-2.0	-98.76	380.52	6.62	-92.14
CC1=CC(C(=O)N(C)C(C)(C)CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300003300916	0	43	-2.0	-81.92	361.80	4.80	-77.12
CN(C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(C)(C)CC(=O)[O-]	REAL300003301099	0	44	-2.0	-97.11	364.35	5.28	-91.83
CN(C(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(C)(C)CC(=O)[O-]	REAL300003301117	1	46	-2.0	-85.31	366.72	3.29	-82.02
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)C(C)(C)CC(=O)[O-])O1	REAL300003301118	1	37	-2.0	-84.61	311.74	0.87	-83.74
CN(C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C(C)(C)CC(=O)[O-]	REAL300003301343	0	44	-2.0	-97.21	372.46	5.63	-91.58
CC(C)C(=O)[N-]C1=NC(CC(=O)N(C)C(C)(C)CC(=O)[O-])=CS1	REAL300003301595	1	44	-2.0	-100.04	355.85	5.23	-94.81
CC1=C(CC(=O)N(C)C(C)(C)CC(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003301771	1	46	-2.0	-105.73	366.69	5.42	-100.31
CN(C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(C)(C)CC(=O)[O-]	REAL300003301901	1	47	-2.0	-94.77	372.45	6.27	-88.50
CN(C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(C)(C)CC(=O)[O-]	REAL300003302435	1	36	-2.0	-93.05	288.97	6.45	-86.60
CN(C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(C)(C)CC(=O)[O-]	REAL300003302503	0	39	-2.0	-94.17	320.63	2.77	-91.40
CN(C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(C)(C)CC(=O)[O-]	REAL300003302549	1	46	-2.0	-90.49	367.49	4.50	-85.99
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N(C)C(C)(C)CC(=O)[O-])=N2)=C1	REAL300003302563	0	49	-2.0	-112.60	379.94	8.40	-104.20
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N(C)C(C)(C)CC(=O)[O-])=N2)C=C1	REAL300003302564	0	49	-2.0	-111.37	379.38	8.44	-102.93
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(C)C(C)(C)CC(=O)[O-])=N1	REAL300003302610	0	43	-2.0	-108.46	347.11	7.53	-100.93
CN(C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(C)(C)CC(=O)[O-]	REAL300003302614	0	40	-2.0	-109.81	326.09	6.54	-103.27
CN(C(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(C)(C)CC(=O)[O-]	REAL300003302630	1	38	-2.0	-111.34	298.52	7.65	-103.69
CN(C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(C)(C)CC(=O)[O-]	REAL300003302646	0	40	-2.0	-79.41	342.06	4.05	-75.36
CN(C(=O)C1=CN=C(I)C([O-])=C1)C(C)(C)CC(=O)[O-]	REAL300003302678	0	32	-2.0	-82.55	281.05	3.78	-78.77
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N(C)C(C)(C)CC(=O)[O-])=N2)=C1	REAL300003302711	0	43	-2.0	-116.02	343.94	7.18	-108.84
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(C)C(C)(C)CC(=O)[O-])=N1	REAL300003302712	0	46	-2.0	-114.33	358.60	8.10	-106.23
CC1=C(CC(=O)N(C)C(C)(C)CC(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003302740	1	46	-2.0	-104.18	365.96	5.37	-98.81
CN(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(C)(C)CC(=O)[O-]	REAL300003302767	0	33	-2.0	-88.87	276.07	4.81	-84.06
CCOC1=CC(C(=O)N(C)C(C)(C)CC(=O)[O-])=CC(Cl)=C1[O-]	REAL300003302827	1	40	-2.0	-89.76	326.49	6.19	-83.57
CN(C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(C)(C)CC(=O)[O-]	REAL300003302830	0	43	-2.0	-114.11	354.43	7.34	-106.77
COC1=CC=C(N2C=C([O-])C(C(=O)N(C)C(C)(C)CC(=O)[O-])=N2)C=C1	REAL300003302834	0	44	-2.0	-111.32	349.15	5.79	-105.53
C[N-]S(=O)(=O)C1=CC(C(=O)N(C)C(C)(C)CC(=O)[O-])=CO1	REAL300003302844	1	37	-2.0	-86.10	308.35	0.48	-85.62
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)(C)CC(=O)[O-]	REAL300003302939	0	36	-2.0	-80.60	293.99	4.30	-76.30
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)(C)CC(=O)[O-]	REAL300003302939	1	36	-2.0	-80.60	294.06	4.30	-76.30
CN(C(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(C)(C)CC(=O)[O-]	REAL300003303142	1	41	-2.0	-99.21	322.91	4.65	-94.56
CN(C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(C)(C)CC(=O)[O-]	REAL300003303305	0	33	-2.0	-92.48	284.61	6.78	-85.70
CC1=C(CCC(=O)NC2(CC(=O)[O-])CCCC2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300003303879	1	54	-2.0	-117.57	416.60	7.16	-110.41
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2(CC(=O)[O-])CCCC2)C=C1	REAL300003304429	1	46	-2.0	-106.35	380.47	10.06	-96.29
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(CC(=O)[O-])CCCC2)O1	REAL300003304790	1	47	-2.0	-101.79	385.26	3.40	-98.39
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(CC(=O)[O-])CCCC2)O1	REAL300003304791	1	38	-2.0	-100.31	329.81	1.00	-99.31
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2(CC(=O)[O-])CCCC2)=CS1	REAL300003305290	1	45	-2.0	-105.31	371.54	5.41	-99.90
CC1=C(CC(=O)NC2(CC(=O)[O-])CCCC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003305482	1	47	-2.0	-110.94	381.14	5.57	-105.37
O=C([O-])CC1(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CCCC1	REAL300003306256	1	37	-2.0	-114.40	313.52	7.65	-106.75
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2(CC(=O)[O-])CCCC2)C=N1	REAL300003306332	0	40	-2.0	-104.24	338.28	3.36	-100.88
O=C([O-])CC1(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)CCCC1	REAL300003306350	1	39	-2.0	-112.92	316.11	4.80	-108.12
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3(CC(=O)[O-])CCCC3)=N2)=C1	REAL300003306398	0	50	-2.0	-133.23	398.01	8.35	-124.88
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3(CC(=O)[O-])CCCC3)=N2)C=C1	REAL300003306399	0	50	-2.0	-131.26	397.94	8.36	-122.90
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2(CC(=O)[O-])CCCC2)=N1	REAL300003306451	0	44	-2.0	-125.25	364.79	7.53	-117.72
O=C([O-])CC1(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CCCC1	REAL300003306456	0	41	-2.0	-130.05	344.16	6.51	-123.54
O=C([O-])CC1(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)CCCC1	REAL300003306474	1	39	-2.0	-131.13	317.32	7.29	-123.84
O=C([O-])CC1(NC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)CCCC1	REAL300003306492	0	41	-2.0	-94.39	359.64	4.61	-89.78
O=C([O-])CC1(NC(=O)C2=CN=C(I)C([O-])=C2)CCCC1	REAL300003306532	0	33	-2.0	-99.34	298.88	4.35	-94.99
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3(CC(=O)[O-])CCCC3)=N2)=C1	REAL300003306580	0	44	-2.0	-136.07	362.50	7.10	-128.97
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2(CC(=O)[O-])CCCC2)=N1	REAL300003306581	0	47	-2.0	-130.54	371.73	8.28	-122.26
CC1=C(CC(=O)NC2(CC(=O)[O-])CCCC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003306623	1	47	-2.0	-108.76	381.32	5.56	-103.20
O=C([O-])CC1(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)CCCC1	REAL300003306658	0	34	-2.0	-96.45	299.04	5.83	-90.62
COC1=C(C(=O)NC2(CC(=O)[O-])CCCC2)NC(=O)[N-]C1=O	REAL300003306664	1	37	-2.0	-99.40	305.01	0.75	-98.65
CCOC1=CC(C(=O)NC2(CC(=O)[O-])CCCC2)=CC(Cl)=C1[O-]	REAL300003306742	1	41	-2.0	-102.78	344.03	6.78	-96.00
O=C([O-])CC1(NC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])CCCC1	REAL300003306745	0	44	-2.0	-137.22	367.65	7.87	-129.35
COC1=CC=C(N2C=C([O-])C(C(=O)NC3(CC(=O)[O-])CCCC3)=N2)C=C1	REAL300003306750	0	45	-2.0	-130.65	367.23	5.74	-124.91
C[N-]S(=O)(=O)C1=CC(C(=O)NC2(CC(=O)[O-])CCCC2)=CO1	REAL300003306761	1	38	-2.0	-100.70	328.94	0.97	-99.73
O=C([O-])CC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCCC1	REAL300003306867	0	37	-2.0	-91.68	312.72	3.88	-87.80
O=C([O-])CC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCCC1	REAL300003306867	1	37	-2.0	-91.64	312.79	3.88	-87.76
COCC1=NC=C(C(=O)NC2(CC(=O)[O-])CCCC2)C(=O)[N-]1	REAL300003307078	1	39	-2.0	-111.55	317.95	2.45	-109.10
O=C([O-])CC1(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)CCCC1	REAL300003307112	1	42	-2.0	-113.05	331.86	5.35	-107.70
O=C([O-])CC1(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCCC1	REAL300003307307	0	34	-2.0	-110.91	307.58	7.69	-103.22
CC1=C(CCC(=O)N2CCCCCC2C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300003307950	1	54	-2.0	-127.66	407.82	8.68	-118.98
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCCCCC2C(=O)[O-])C=C1	REAL300003308500	1	46	-2.0	-142.67	371.97	11.73	-130.94
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCCCC2C(=O)[O-])O1	REAL300003308861	1	47	-2.0	-102.52	373.16	5.52	-97.00
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCCCC2C(=O)[O-])O1	REAL300003308862	1	38	-2.0	-101.18	319.55	2.99	-98.19
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCCCCC2C(=O)[O-])=CS1	REAL300003309361	1	45	-2.0	-131.31	363.93	7.34	-123.97
CC1=C(CC(=O)N2CCCCCC2C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003309553	1	47	-2.0	-125.55	371.11	7.03	-118.52
O=C([O-])C1CCCCCN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300003310327	1	37	-2.0	-116.29	295.71	7.60	-108.69
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCCCCC2C(=O)[O-])C=N1	REAL300003310403	0	40	-2.0	-109.08	329.65	4.84	-104.24
O=C([O-])C1CCCCCN1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300003310421	1	39	-2.0	-134.96	304.33	5.90	-129.06
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCCCCC3C(=O)[O-])=N2)=C1	REAL300003310469	0	50	-2.0	-149.80	384.97	10.20	-139.60
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCCCCC3C(=O)[O-])=N2)C=C1	REAL300003310470	0	50	-2.0	-147.85	388.23	10.54	-137.31
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCCCCC2C(=O)[O-])=N1	REAL300003310522	0	44	-2.0	-145.52	349.85	9.32	-136.20
O=C([O-])C1CCCCCN1C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300003310527	0	41	-2.0	-146.24	334.45	8.70	-137.54
O=C([O-])C1CCCCCN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300003310545	1	39	-2.0	-148.98	308.09	9.25	-139.73
O=C([O-])C1CCCCCN1C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300003310563	0	41	-2.0	-106.65	351.07	6.22	-100.43
O=C([O-])C1CCCCCN1C(=O)C1=CN=C(I)C([O-])=C1	REAL300003310603	0	33	-2.0	-110.13	290.17	5.86	-104.27
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCCCCC3C(=O)[O-])=N2)=C1	REAL300003310651	0	44	-2.0	-153.78	352.98	9.27	-144.51
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCCCCC2C(=O)[O-])=N1	REAL300003310652	0	47	-2.0	-152.19	363.58	9.88	-142.31
CC1=C(CC(=O)N2CCCCCC2C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003310694	1	47	-2.0	-140.40	374.04	7.46	-132.94
O=C([O-])C1CCCCCN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300003310729	0	34	-2.0	-105.99	280.95	5.89	-100.10
COC1=C(C(=O)N2CCCCCC2C(=O)[O-])NC(=O)[N-]C1=O	REAL300003310735	1	37	-2.0	-105.53	300.58	1.05	-104.48
CCOC1=CC(C(=O)N2CCCCCC2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300003310813	1	41	-2.0	-111.11	337.07	8.40	-102.71
O=C([O-])C1CCCCCN1C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300003310816	0	44	-2.0	-151.44	340.54	9.08	-142.36
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCCCCC3C(=O)[O-])=N2)C=C1	REAL300003310821	0	45	-2.0	-148.45	354.23	7.58	-140.87
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCCCCC2C(=O)[O-])=CO1	REAL300003310832	1	38	-2.0	-112.03	319.49	2.79	-109.24
O=C([O-])C1CCCCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300003310938	0	37	-2.0	-97.29	302.18	6.26	-91.03
O=C([O-])C1CCCCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300003310938	1	37	-2.0	-97.22	302.25	6.26	-90.96
COCC1=NC=C(C(=O)N2CCCCCC2C(=O)[O-])C(=O)[N-]1	REAL300003311149	1	39	-2.0	-131.86	306.53	3.56	-128.30
O=C([O-])C1CCCCCN1C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300003311183	1	42	-2.0	-135.43	320.06	6.46	-128.97
O=C([O-])C1CCCCCN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300003311378	0	34	-2.0	-120.06	289.82	7.08	-112.98
CC1=C(CCC(=O)N(C)CCC(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300003311906	1	47	-2.0	-102.03	380.88	6.33	-95.70
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)N(C)CCC(=O)[O-])=C1	REAL300003311950	1	47	-2.0	-97.08	400.12	7.37	-89.71
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)N(C)CCC(=O)[O-])C=C2)C=C1C	REAL300003311981	1	47	-2.0	-100.03	397.48	7.16	-92.87
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N(C)CCC(=O)[O-])=C1	REAL300003312178	0	37	-2.0	-107.56	324.20	3.64	-103.92
CN(CCC(=O)[O-])C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1	REAL300003312394	1	41	-2.0	-104.54	366.73	6.03	-98.51
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)N(C)CCC(=O)[O-])=C2)C=C1F	REAL300003312422	1	44	-2.0	-103.26	387.05	6.67	-96.59
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N(C)CCC(=O)[O-]	REAL300003312441	0	37	-2.0	-108.77	323.85	3.88	-104.89
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N(C)CCC(=O)[O-])C=C1	REAL300003312477	1	39	-2.0	-112.00	345.10	9.24	-102.76
CN(CCC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300003312523	1	41	-2.0	-92.61	365.45	6.03	-86.58
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)CCC(=O)[O-])C=C1	REAL300003312525	1	44	-2.0	-95.87	379.08	6.73	-89.14
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)CCC(=O)[O-])C=C2)=C1C	REAL300003312529	1	47	-2.0	-97.22	396.09	7.27	-89.95
CN(CCC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300003312636	1	41	-2.0	-98.82	359.06	5.96	-92.86
CN(CCC(=O)[O-])C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300003312637	1	44	-2.0	-107.50	393.44	7.10	-100.40
CN(CCC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300003312638	1	41	-2.0	-105.81	360.31	5.97	-99.84
CC1=CC(C(=O)N(C)CCC(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300003312653	0	37	-2.0	-84.68	339.74	4.11	-80.57
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)CCC(=O)[O-])C=C2)C=C1	REAL300003312761	1	44	-2.0	-96.57	380.58	6.64	-89.93
CN(CCC(=O)[O-])C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2)=C1	REAL300003312837	1	41	-2.0	-106.09	375.23	6.46	-99.63
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)N(C)CCC(=O)[O-])=C1	REAL300003312838	0	45	-2.0	-114.61	389.54	5.30	-109.31
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)CCC(=O)[O-])=C2)C=C1	REAL300003312839	1	45	-2.0	-109.35	389.83	5.25	-104.10
CN(CCC(=O)[O-])C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300003312844	0	38	-2.0	-102.34	351.02	4.97	-97.37
CN(CCC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300003312857	1	40	-2.0	-88.90	346.79	2.64	-86.26
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)CCC(=O)[O-])=C2)C=C1	REAL300003312935	1	44	-2.0	-111.34	381.71	6.65	-104.69
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)N(C)CCC(=O)[O-])=CC=C2C)C=C1	REAL300003312942	1	47	-2.0	-112.25	394.92	7.40	-104.85
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)N(C)CCC(=O)[O-])C=C2)=CC=C1F	REAL300003312948	1	44	-2.0	-93.05	385.77	6.66	-86.39
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)N(C)CCC(=O)[O-])C=C1	REAL300003312949	1	44	-2.0	-97.39	380.97	6.81	-90.58
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N(C)CCC(=O)[O-])=CC=C1F	REAL300003312952	0	44	-2.0	-109.68	387.35	6.84	-102.84
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)CCC(=O)[O-])C=C1	REAL300003312979	0	45	-2.0	-99.71	388.41	5.31	-94.40
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2)C=C1C(=O)N(C)CCC(=O)[O-]	REAL300003312981	1	44	-2.0	-92.01	386.65	6.66	-85.35
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)N(C)CCC(=O)[O-])=CC=C2C)=C1	REAL300003312982	1	47	-2.0	-112.24	395.33	7.39	-104.85
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)CCC(=O)[O-])=C2)=C1	REAL300003312983	1	44	-2.0	-111.80	381.71	6.65	-105.15
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)N(C)CCC(=O)[O-])=C2)=C1	REAL300003312984	1	47	-2.0	-98.19	401.65	7.27	-90.92
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)N(C)CCC(=O)[O-])=C2)=C1	REAL300003312989	1	47	-2.0	-105.79	397.21	7.40	-98.39
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N(C)CCC(=O)[O-])=C1	REAL300003313052	0	41	-2.0	-114.91	358.28	1.87	-113.04
CN(CCC(=O)[O-])C(=O)C1=CC=CC=C1[N-]S(C)(=O)=O	REAL300003313095	0	34	-2.0	-107.14	302.37	2.98	-104.16
CN(CCC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300003313105	0	38	-2.0	-104.88	350.42	4.94	-99.94
CN(CCC(=O)[O-])C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300003313106	0	41	-2.0	-113.18	378.96	6.04	-107.14
CC(C)C(=O)[N-]C1=NC(CC(=O)N(C)CCC(=O)[O-])=CS1	REAL300003313377	1	38	-2.0	-108.73	335.82	4.58	-104.15
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)CCC(=O)[O-])C=C2)C=C1	REAL300003313442	1	45	-2.0	-94.89	388.70	5.26	-89.63
CN(CCC(=O)[O-])C(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O	REAL300003313520	0	34	-2.0	-99.94	308.51	3.05	-96.89
CC1=C(CC(=O)N(C)CCC(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003313530	1	40	-2.0	-114.73	346.69	4.78	-109.95
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N(C)CCC(=O)[O-]	REAL300003313533	0	40	-2.0	-109.38	345.33	4.67	-104.71
CN(CCC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300003313670	1	41	-2.0	-95.86	359.18	5.97	-89.89
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N(C)CCC(=O)[O-])=C1	REAL300003313672	0	47	-2.0	-115.38	397.52	7.58	-107.80
CN(CCC(=O)[O-])C(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O	REAL300003313987	0	40	-2.0	-112.49	348.36	5.24	-107.25
CN(CCC(=O)[O-])C(=O)C1=CC(Br)=C([O-])C(Br)=C1	REAL300003314056	0	27	-2.0	-87.92	280.00	5.27	-82.65
CN(CCC(=O)[O-])C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300003314152	0	33	-2.0	-101.06	300.44	2.11	-98.95
CN(CCC(=O)[O-])C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300003314194	1	40	-2.0	-92.24	354.21	4.20	-88.04
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N(C)CCC(=O)[O-])=N2)=C1	REAL300003314207	0	43	-2.0	-120.16	359.55	7.81	-112.35
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N(C)CCC(=O)[O-])=N2)C=C1	REAL300003314208	0	43	-2.0	-119.35	359.47	7.83	-111.52
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(C)CCC(=O)[O-])=N1	REAL300003314243	0	37	-2.0	-116.50	327.29	6.88	-109.62
CN(CCC(=O)[O-])C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300003314246	0	34	-2.0	-117.84	305.70	5.97	-111.87
CN(CCC(=O)[O-])C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300003314266	0	34	-2.0	-91.42	320.03	3.37	-88.05
CN(CCC(=O)[O-])C(=O)C1=CN=C(I)C([O-])=C1	REAL300003314287	0	26	-2.0	-86.97	260.88	3.13	-83.84
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N(C)CCC(=O)[O-])=N2)=C1	REAL300003314320	0	37	-2.0	-124.08	324.03	6.55	-117.53
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(C)CCC(=O)[O-])=N1	REAL300003314321	0	40	-2.0	-122.34	338.85	7.43	-114.91
CC1=C(CC(=O)N(C)CCC(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003314337	1	40	-2.0	-113.31	345.96	4.72	-108.59
CCOC1=CC(C(=O)N(C)CCC(=O)[O-])=CC(Cl)=C1[O-]	REAL300003314394	1	34	-2.0	-95.08	306.27	5.55	-89.53
CN(CCC(=O)[O-])C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300003314398	0	37	-2.0	-121.67	334.40	6.69	-114.98
COC1=CC=C(N2C=C([O-])C(C(=O)N(C)CCC(=O)[O-])=N2)C=C1	REAL300003314407	0	38	-2.0	-119.31	329.31	5.14	-114.17
CC1=C(C(=O)N(C)CCC(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300003314870	0	35	-2.0	-111.20	315.71	3.43	-107.77
C#CCC(NC(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O)C(=O)[O-]	REAL300003315135	1	46	-2.0	-105.08	389.53	5.81	-99.27
C#CCC(NC(=O)C1=CC(C)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300003315440	0	36	-2.0	-114.92	331.69	3.64	-111.28
C#CCC(NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1)C(=O)[O-]	REAL300003315681	1	40	-2.0	-106.55	377.47	5.89	-100.66
C#CCC(NC(=O)C1=CC=CC=C1[N-]S(=O)(=O)CC)C(=O)[O-]	REAL300003315724	0	36	-2.0	-115.88	331.77	3.85	-112.03
C#CCC(NC(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1)C(=O)[O-]	REAL300003315763	1	38	-2.0	-126.33	353.76	8.78	-117.55
C#CCC(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300003315811	1	40	-2.0	-99.58	377.26	5.91	-93.67
C#CCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C)C=C1)C(=O)[O-]	REAL300003315813	1	43	-2.0	-98.95	390.93	6.60	-92.35
C#CCC(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300003315925	1	40	-2.0	-106.10	370.86	5.84	-100.26
C#CCC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300003315926	1	40	-2.0	-110.97	371.03	5.84	-105.13
C#CCC(NC(=O)C1=CC=C([N-]S(=O)(=O)C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300003315938	0	36	-2.0	-90.58	352.29	4.02	-86.56
C#CCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2)C=C1)C(=O)[O-]	REAL300003316056	1	43	-2.0	-99.50	391.59	6.55	-92.95
C#CCC(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300003316137	0	37	-2.0	-107.17	362.78	4.86	-102.31
C#CCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300003316154	1	39	-2.0	-96.48	356.36	2.18	-94.30
C#CCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C)O1)C(=O)[O-]	REAL300003316155	1	30	-2.0	-95.57	302.75	-0.36	-95.93
C#CCC(NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2)=C1)C(=O)[O-]	REAL300003316256	1	43	-2.0	-113.74	391.61	6.53	-107.21
C#CCC(NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2)=C1)C(=O)[O-]	REAL300003316293	1	43	-2.0	-113.85	392.45	6.51	-107.34
C#CCC(NC(=O)C1=CC(NC(C)=O)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300003316364	0	40	-2.0	-119.77	366.37	1.85	-117.92
C#CCC(NC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300003316412	0	33	-2.0	-114.15	310.30	2.95	-111.20
C#CCC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C(=O)[O-]	REAL300003316421	0	37	-2.0	-109.21	362.97	4.86	-104.35
C#CCC(NC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300003316422	0	40	-2.0	-117.12	387.38	5.58	-111.54
C#CCC(NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1)C(=O)[O-]	REAL300003316713	1	37	-2.0	-109.78	344.50	4.05	-105.73
C#CCC(NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300003316884	0	33	-2.0	-106.76	316.71	3.01	-103.75
C#CCC(NC(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O)C(=O)[O-]	REAL300003316893	1	39	-2.0	-113.89	354.52	4.29	-109.60
C#CCC(NC(=O)C1=CC=CC=C1[N-]S(=O)(=O)CCC)C(=O)[O-]	REAL300003316898	0	39	-2.0	-116.50	353.27	4.64	-111.86
C#CCC(NC(=O)C1=C(C)N=C(C(C)(C)C)[N-]C1=O)C(=O)[O-]	REAL300003316947	1	39	-2.0	-110.50	334.22	4.51	-105.99
C#CCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300003317051	1	40	-2.0	-98.83	370.19	5.88	-92.95
C#CCC(NC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300003317449	0	39	-2.0	-119.04	356.19	5.22	-113.82
C#CCC(NC(=O)C1=CC(Br)=C([O-])C(Br)=C1)C(=O)[O-]	REAL300003317529	0	26	-2.0	-93.22	290.69	5.17	-88.05
C#CCC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300003317580	1	29	-2.0	-116.31	286.45	6.41	-109.90
C#CCC(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300003317652	0	32	-2.0	-102.73	311.35	1.98	-100.75
C#CCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300003317704	1	39	-2.0	-94.99	365.23	4.10	-90.89
C#CCC(NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-])C(=O)[O-]	REAL300003317718	0	42	-2.0	-131.24	370.95	7.02	-124.22
C#CCC(NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])C(=O)[O-]	REAL300003317719	0	42	-2.0	-129.65	370.64	7.09	-122.56
C#CCC(NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-])C(=O)[O-]	REAL300003317768	0	36	-2.0	-126.33	338.18	6.18	-120.15
C#CCC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300003317771	0	33	-2.0	-126.98	316.86	5.23	-121.75
C#CCC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300003317799	0	33	-2.0	-94.87	332.58	3.27	-91.60
C#CCC(NC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300003317827	0	25	-2.0	-98.19	271.57	3.06	-95.13
C#CCC(NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-])C(=O)[O-]	REAL300003317863	0	36	-2.0	-134.19	335.20	5.81	-128.38
C#CCC(NC(=O)C1=NN(C2=CC=CC=C2CC)C=C1[O-])C(=O)[O-]	REAL300003317864	0	39	-2.0	-132.92	351.71	6.90	-126.02
C#CCC(NC(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O)C(=O)[O-]	REAL300003317885	1	39	-2.0	-112.46	354.62	4.19	-108.27
C#CCC(NC(=O)C1=CC(Cl)=C([O-])C(OCC)=C1)C(=O)[O-]	REAL300003317950	1	33	-2.0	-100.85	316.96	5.43	-95.42
C#CCC(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300003317954	0	36	-2.0	-135.25	340.35	6.60	-128.65
C#CCC(NC(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-])C(=O)[O-]	REAL300003317960	0	37	-2.0	-129.37	339.93	4.47	-124.90
C#CCC(NC(=O)C1=COC(S(=O)(=O)[N-]C)=C1)C(=O)[O-]	REAL300003317972	1	30	-2.0	-101.08	301.05	-0.33	-101.41
C#CCC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300003318393	0	26	-2.0	-112.43	279.67	6.50	-105.93
C#CCC(NC(=O)C1=C(C)N=C(C2=CC=CO2)[N-]C1=O)C(=O)[O-]	REAL300003318553	0	34	-2.0	-113.34	314.70	3.51	-109.83
CC1=C(CCC(=O)NCC2(C(=O)[O-])CC2)C(=O)NC(N2CCOCC2)=N1	REAL300003318861	0	48	-2.0	-106.08	389.90	5.95	-100.13
CC1=C(CCC(=O)NCC2(C(=O)[O-])CC2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300003318861	1	48	-2.0	-106.08	389.90	5.95	-100.13
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300003319175	0	38	-2.0	-103.19	332.09	3.74	-99.45
O=C([O-])C1(CNC(=O)C2=CC=CC(S(=O)(=O)[N-]C3=CC=C(F)C=C3)=C2)CC1	REAL300003319422	1	42	-2.0	-92.36	377.88	6.01	-86.35
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1(C(=O)[O-])CC1	REAL300003319465	0	38	-2.0	-103.42	332.15	3.97	-99.45
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300003319503	1	40	-2.0	-108.23	354.15	8.80	-99.43
O=C([O-])C1(CNC(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C=C3)C=C2)CC1	REAL300003319553	1	42	-2.0	-99.34	377.64	6.04	-93.30
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300003319555	1	45	-2.0	-95.00	391.34	6.73	-88.27
O=C([O-])C1(CNC(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3)C=C2)CC1	REAL300003319670	1	42	-2.0	-106.47	371.24	5.96	-100.51
O=C([O-])C1(CNC(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)CC1	REAL300003319671	1	42	-2.0	-102.48	375.37	5.57	-96.91
CC1=CC(C(=O)NCC2(C(=O)[O-])CC2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300003319682	0	38	-2.0	-89.25	352.67	4.15	-85.10
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC3(C(=O)[O-])CC3)C=C2)C=C1	REAL300003319802	1	45	-2.0	-95.70	392.83	6.64	-89.06
O=C([O-])C1(CNC(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CS3)C=C2)CC1	REAL300003319884	0	39	-2.0	-104.49	363.17	4.96	-99.53
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2(C(=O)[O-])CC2)O1	REAL300003319901	1	41	-2.0	-103.23	358.59	2.19	-101.04
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2(C(=O)[O-])CC2)O1	REAL300003319902	1	32	-2.0	-101.73	303.14	-0.22	-101.95
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NCC3(C(=O)[O-])CC3)=C2)C=C1	REAL300003320011	1	45	-2.0	-99.24	392.86	6.62	-92.62
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)NCC3(C(=O)[O-])CC3)=C2)=C1	REAL300003320048	1	45	-2.0	-99.72	392.84	6.63	-93.09
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300003320119	0	42	-2.0	-106.29	366.77	1.97	-104.32
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1(C(=O)[O-])CC1	REAL300003320167	0	35	-2.0	-102.12	310.70	3.07	-99.05
O=C([O-])C1(CNC(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CS3)=C2)CC1	REAL300003320176	0	39	-2.0	-100.39	363.36	4.98	-95.41
O=C([O-])C1(CNC(=O)CC2=CC=C([N-]S(=O)(=O)C3=CC=CS3)C=C2)CC1	REAL300003320177	0	42	-2.0	-103.21	388.01	5.65	-97.56
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC2(C(=O)[O-])CC2)=CS1	REAL300003320479	1	39	-2.0	-96.36	344.88	4.19	-92.17
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCC1(C(=O)[O-])CC1	REAL300003320652	0	35	-2.0	-97.73	317.10	3.13	-94.60
CC1=C(CC(=O)NCC2(C(=O)[O-])CC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003320661	1	41	-2.0	-104.34	354.46	4.24	-100.10
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1(C(=O)[O-])CC1	REAL300003320666	0	41	-2.0	-103.89	353.65	4.76	-99.13
CC1=C(C(=O)NCC2(C(=O)[O-])CC2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300003320716	1	41	-2.0	-117.23	335.50	4.59	-112.64
O=C([O-])C1(CNC(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3)C=C2)CC1	REAL300003320822	1	42	-2.0	-95.08	371.42	5.97	-89.11
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NCC1(C(=O)[O-])CC1	REAL300003321238	0	41	-2.0	-106.09	356.57	5.35	-100.74
O=C([O-])C1(CNC(=O)C2=CC(Br)=C([O-])C(Br)=C2)CC1	REAL300003321319	0	28	-2.0	-89.15	291.08	5.28	-83.87
O=C([O-])C1(CNC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CC1	REAL300003321372	1	31	-2.0	-101.56	286.83	6.55	-95.01
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC2(C(=O)[O-])CC2)C=N1	REAL300003321448	0	34	-2.0	-103.49	311.74	2.10	-101.39
O=C([O-])C1(CNC(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=NC=C3)C=C2)CC1	REAL300003321501	1	41	-2.0	-90.74	366.47	4.19	-86.55
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCC3(C(=O)[O-])CC3)=N2)=C1	REAL300003321516	0	44	-2.0	-120.11	375.28	6.76	-113.35
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC3(C(=O)[O-])CC3)=N2)C=C1	REAL300003321517	0	44	-2.0	-117.94	375.21	6.76	-111.18
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC2(C(=O)[O-])CC2)=N1	REAL300003321571	0	38	-2.0	-114.64	333.40	6.23	-108.41
O=C([O-])C1(CNC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CC1	REAL300003321574	0	35	-2.0	-114.59	321.43	4.90	-109.69
O=C([O-])C1(CNC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)CC1	REAL300003321602	0	35	-2.0	-86.45	336.91	3.01	-83.44
O=C([O-])C1(CNC(=O)C2=CN=C(I)C([O-])=C2)CC1	REAL300003321633	0	27	-2.0	-90.84	276.15	2.73	-88.11
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC3(C(=O)[O-])CC3)=N2)=C1	REAL300003321669	0	38	-2.0	-122.01	339.77	5.49	-116.52
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC2(C(=O)[O-])CC2)=N1	REAL300003321670	0	41	-2.0	-120.71	344.28	7.01	-113.70
CC1=C(CC(=O)NCC2(C(=O)[O-])CC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003321693	1	41	-2.0	-102.60	354.64	4.23	-98.37
CCOC1=CC(C(=O)NCC2(C(=O)[O-])CC2)=CC(Cl)=C1[O-]	REAL300003321762	1	35	-2.0	-97.95	317.35	5.54	-92.41
O=C([O-])C1(CNC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])CC1	REAL300003321766	0	38	-2.0	-128.71	340.98	6.67	-122.04
COC1=CC=C(N2C=C([O-])C(C(=O)NCC3(C(=O)[O-])CC3)=N2)C=C1	REAL300003321772	0	39	-2.0	-117.81	344.50	4.14	-113.67
C[N-]S(=O)(=O)C1=CC(C(=O)NCC2(C(=O)[O-])CC2)=CO1	REAL300003321787	1	32	-2.0	-90.81	302.27	-0.24	-91.05
O=C([O-])C1(CNC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300003322227	0	28	-2.0	-99.52	280.90	6.59	-92.93
CC1=C(C(=O)NCC2(C(=O)[O-])CC2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300003322397	0	36	-2.0	-119.57	315.72	3.69	-115.88
CC1=C(CCC(=O)N2CC(C)(C(=O)[O-])C2)C(=O)NC(N2CCOCC2)=N1	REAL300003322714	0	48	-2.0	-96.00	392.42	6.38	-89.62
CC1=C(CCC(=O)N2CC(C)(C(=O)[O-])C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300003322714	1	48	-2.0	-96.00	392.42	6.38	-89.62
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CC(C)(C(=O)[O-])C2)=C1	REAL300003323028	0	38	-2.0	-118.95	330.26	3.95	-115.00
CC1(C(=O)[O-])CN(C(=O)C2=CC=CC(S(=O)(=O)[N-]C3=CC=C(F)C=C3)=C2)C1	REAL300003323275	1	42	-2.0	-108.90	373.31	6.13	-102.77
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC(C)(C(=O)[O-])C1	REAL300003323318	0	38	-2.0	-120.96	329.95	4.10	-116.86
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CC(C)(C(=O)[O-])C2)C=C1	REAL300003323356	1	40	-2.0	-128.95	354.17	9.54	-119.41
CC1(C(=O)[O-])CN(C(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C=C3)C=C2)C1	REAL300003323406	1	42	-2.0	-105.45	373.07	6.14	-99.31
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC(C)(C(=O)[O-])C2)C=C1	REAL300003323408	1	45	-2.0	-102.77	386.76	6.83	-95.94
CC1(C(=O)[O-])CN(C(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3)C=C2)C1	REAL300003323523	1	42	-2.0	-110.34	366.68	6.08	-104.26
CC1(C(=O)[O-])CN(C(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)C1	REAL300003323524	1	42	-2.0	-110.76	366.87	6.06	-104.70
CC1=CC(C(=O)N2CC(C)(C(=O)[O-])C2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300003323535	0	38	-2.0	-95.91	348.12	4.27	-91.64
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N3CC(C)(C(=O)[O-])C3)C=C2)C=C1	REAL300003323655	1	45	-2.0	-103.36	387.78	6.74	-96.62
CC1(C(=O)[O-])CN(C(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CS3)C=C2)C1	REAL300003323737	0	39	-2.0	-107.81	358.93	5.16	-102.65
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC(C)(C(=O)[O-])C2)O1	REAL300003323754	1	41	-2.0	-91.20	354.64	2.67	-88.53
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC(C)(C(=O)[O-])C2)O1	REAL300003323755	1	32	-2.0	-90.48	301.02	0.12	-90.36
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N3CC(C)(C(=O)[O-])C3)=C2)C=C1	REAL300003323864	1	45	-2.0	-116.31	388.29	6.74	-109.57
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)N3CC(C)(C(=O)[O-])C3)=C2)=C1	REAL300003323901	1	45	-2.0	-116.79	388.29	6.74	-110.05
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CC(C)(C(=O)[O-])C2)=C1	REAL300003323972	0	42	-2.0	-124.90	364.94	2.19	-122.71
CC1(C(=O)[O-])CN(C(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)C1	REAL300003324020	0	35	-2.0	-96.70	308.76	3.05	-93.65
CC1(C(=O)[O-])CN(C(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CS3)=C2)C1	REAL300003324029	0	39	-2.0	-109.12	358.81	5.08	-104.04
CC1(C(=O)[O-])CN(C(=O)CC2=CC=C([N-]S(=O)(=O)C3=CC=CS3)C=C2)C1	REAL300003324030	0	42	-2.0	-101.33	389.39	6.04	-95.29
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC(C)(C(=O)[O-])C2)=CS1	REAL300003324332	1	39	-2.0	-95.43	344.37	4.59	-90.84
CC1(C(=O)[O-])CN(C(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)C1	REAL300003324505	0	35	-2.0	-110.42	315.27	3.36	-107.06
CC1=C(CC(=O)N2CC(C)(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003324514	1	41	-2.0	-112.55	354.39	4.89	-107.66
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC(C)(C(=O)[O-])C1	REAL300003324519	0	41	-2.0	-121.65	351.45	4.89	-116.76
CC1=C(C(=O)N2CC(C)(C(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300003324569	1	41	-2.0	-100.53	344.29	4.43	-96.10
CC1(C(=O)[O-])CN(C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3)C=C2)C1	REAL300003324675	1	42	-2.0	-102.61	366.86	6.06	-96.55
CC1(C(=O)[O-])CN(C(=O)C2=CC3=CC=CC=C3C=C2[N-]S(C)(=O)=O)C1	REAL300003325091	0	41	-2.0	-124.38	354.75	5.56	-118.82
CC1(C(=O)[O-])CN(C(=O)C2=CC(Br)=C([O-])C(Br)=C2)C1	REAL300003325172	0	28	-2.0	-96.63	286.53	5.38	-91.25
CC1(C(=O)[O-])CN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300003325225	1	31	-2.0	-120.29	284.98	6.73	-113.56
CC1(C(=O)[O-])CN(C(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C1	REAL300003325301	0	34	-2.0	-94.26	307.52	2.06	-92.20
CC1(C(=O)[O-])CN(C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=NC=C3)C=C2)C1	REAL300003325354	1	41	-2.0	-98.93	361.89	4.30	-94.63
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CC(C)(C(=O)[O-])C3)=N2)=C1	REAL300003325369	0	44	-2.0	-133.49	368.83	7.74	-125.75
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CC(C)(C(=O)[O-])C3)=N2)C=C1	REAL300003325370	0	44	-2.0	-131.46	368.79	7.76	-123.70
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CC(C)(C(=O)[O-])C2)=N1	REAL300003325424	0	38	-2.0	-127.21	336.02	6.83	-120.38
CC1(C(=O)[O-])CN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1	REAL300003325427	0	35	-2.0	-130.70	315.03	5.90	-124.80
CC1(C(=O)[O-])CN(C(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)C1	REAL300003325455	0	35	-2.0	-94.49	328.42	3.50	-90.99
CC1(C(=O)[O-])CN(C(=O)C2=CN=C(I)C([O-])=C2)C1	REAL300003325486	0	27	-2.0	-98.56	267.60	3.24	-95.32
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CC(C)(C(=O)[O-])C3)=N2)=C1	REAL300003325522	0	38	-2.0	-136.28	333.38	6.48	-129.80
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC(C)(C(=O)[O-])C2)=N1	REAL300003325523	0	41	-2.0	-134.94	349.80	7.57	-127.37
CC1=C(CC(=O)N2CC(C)(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003325546	1	41	-2.0	-110.38	354.57	4.88	-105.50
CCOC1=CC(C(=O)N2CC(C)(C(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300003325615	1	35	-2.0	-104.80	312.80	5.65	-99.15
CC1(C(=O)[O-])CN(C(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])C1	REAL300003325619	0	38	-2.0	-136.52	328.99	6.89	-129.63
COC1=CC=C(N2C=C([O-])C(C(=O)N3CC(C)(C(=O)[O-])C3)=N2)C=C1	REAL300003325625	0	39	-2.0	-131.12	338.08	5.13	-125.99
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC(C)(C(=O)[O-])C2)=CO1	REAL300003325640	1	32	-2.0	-102.45	297.26	0.01	-102.44
CC1(C(=O)[O-])CN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300003326080	0	28	-2.0	-116.94	278.68	6.67	-110.27
CC1=C(C(=O)N2CC(C)(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300003326250	0	36	-2.0	-103.32	324.60	3.50	-99.82
CC1=C(CCC(=O)N(C)C(C)C(=O)[O-])C(=O)NC(N2CCOCC2)=N1	REAL300003326505	0	47	-2.0	-99.57	374.25	6.09	-93.48
CC1=C(CCC(=O)N(C)C(C)C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300003326505	1	47	-2.0	-99.57	374.25	6.09	-93.48
CC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)N(C)C(C)C(=O)[O-])C=C2)C=C1C	REAL300003326552	0	47	-2.0	-102.03	391.20	7.02	-95.01
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)N(C)C(C)C(=O)[O-])C=C2)C=C1C	REAL300003326552	1	47	-2.0	-102.03	391.20	7.02	-95.01
CC(C(=O)[O-])N(C)C(=O)C1=CC=CC(S(=O)(=O)NC2=CC=C(F)C=C2)=C1	REAL300003326850	0	41	-2.0	-102.97	360.88	5.91	-97.06
CC(C(=O)[O-])N(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1	REAL300003326850	1	41	-2.0	-102.97	360.88	5.91	-97.06
CC1=CC=C(S(=O)(=O)NC2=CC=CC(C(=O)N(C)C(C)C(=O)[O-])=C2)C=C1F	REAL300003326867	0	44	-2.0	-103.46	380.75	6.45	-97.01
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)N(C)C(C)C(=O)[O-])=C2)C=C1F	REAL300003326867	1	44	-2.0	-103.46	380.75	6.45	-97.01
CC1=CC=C(C2=NNC(=S)N2CC(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300003326909	0	39	-2.0	-117.20	337.92	9.05	-108.15
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300003326909	1	39	-2.0	-117.20	337.92	9.05	-108.15
CC(C(=O)[O-])N(C)C(=O)C1=CC=C(NS(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300003326950	0	41	-2.0	-94.21	359.17	5.88	-88.33
CC(C(=O)[O-])N(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300003326950	1	41	-2.0	-94.21	359.17	5.88	-88.33
CC1=CC=CC=C1NS(=O)(=O)C1=CC=C(C(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300003326952	0	44	-2.0	-94.89	372.81	6.59	-88.30
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300003326952	1	44	-2.0	-94.89	372.81	6.59	-88.30
CC1=CC=CC(NS(=O)(=O)C2=CC=C(C(=O)N(C)C(C)C(=O)[O-])C=C2)=C1C	REAL300003326955	0	47	-2.0	-95.95	389.30	7.03	-88.92
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)C(C)C(=O)[O-])C=C2)=C1C	REAL300003326955	1	47	-2.0	-95.95	389.30	7.03	-88.92
CC(C(=O)[O-])N(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300003327040	1	41	-2.0	-100.65	352.26	5.72	-94.93
CC(C(=O)[O-])N(C)C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300003327041	1	44	-2.0	-104.04	387.32	6.95	-97.09
CC(C(=O)[O-])N(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300003327042	1	41	-2.0	-106.55	354.01	5.74	-100.81
CC1=CC(C(=O)N(C)C(C)C(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300003327053	0	37	-2.0	-88.24	335.27	3.92	-84.32
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)C(C)C(=O)[O-])C=C2)C=C1	REAL300003327135	1	44	-2.0	-95.56	374.31	6.50	-89.06
CC(C(=O)[O-])N(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2)=C1	REAL300003327196	1	41	-2.0	-104.28	371.18	6.36	-97.92
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)N(C)C(C)C(=O)[O-])=C1	REAL300003327197	0	45	-2.0	-113.36	383.69	5.19	-108.17
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)C(C)C(=O)[O-])=C2)C=C1	REAL300003327198	1	45	-2.0	-107.97	383.98	5.13	-102.84
CC(C(=O)[O-])N(C)C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300003327203	0	38	-2.0	-102.46	344.73	4.83	-97.63
CC(C(=O)[O-])N(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300003327216	1	40	-2.0	-93.07	338.17	2.59	-90.48
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)C(C)C(=O)[O-])=C2)C=C1	REAL300003327281	1	44	-2.0	-110.08	375.85	6.51	-103.57
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)N(C)C(C)C(=O)[O-])=CC=C2C)C=C1	REAL300003327286	1	47	-2.0	-102.67	390.42	7.30	-95.37
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)N(C)C(C)C(=O)[O-])C=C2)=CC=C1F	REAL300003327290	1	44	-2.0	-94.69	379.50	6.51	-88.18
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300003327291	1	44	-2.0	-97.67	374.68	6.67	-91.00
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300003327309	0	45	-2.0	-98.70	382.15	5.16	-93.54
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2)C=C1C(=O)N(C)C(C)C(=O)[O-]	REAL300003327310	1	44	-2.0	-92.76	380.27	6.53	-86.23
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)N(C)C(C)C(=O)[O-])=CC=C2C)=C1	REAL300003327311	1	47	-2.0	-103.93	388.66	7.24	-96.69
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)C(C)C(=O)[O-])=C2)=C1	REAL300003327312	1	44	-2.0	-110.34	375.42	6.43	-103.91
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)N(C)C(C)C(=O)[O-])=C2)=C1	REAL300003327313	1	47	-2.0	-99.25	395.34	7.21	-92.04
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)N(C)C(C)C(=O)[O-])=C2)=C1	REAL300003327316	1	47	-2.0	-106.51	390.91	7.18	-99.33
CC(C(=O)[O-])N(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300003327394	0	38	-2.0	-105.05	346.38	4.85	-100.20
CC(C(=O)[O-])N(C)C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300003327395	0	41	-2.0	-109.59	372.33	5.80	-103.79
CC(C)C(=O)[N-]C1=NC(CC(=O)N(C)C(C)C(=O)[O-])=CS1	REAL300003327581	1	38	-2.0	-102.64	328.80	4.46	-98.18
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)C(C)C(=O)[O-])C=C2)C=C1	REAL300003327636	1	45	-2.0	-93.84	382.43	5.12	-88.72
CC1=C(CC(=O)N(C)C(C)C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003327704	1	40	-2.0	-107.73	339.50	4.58	-103.15
CC(C(=O)[O-])N(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300003327816	1	41	-2.0	-94.51	352.38	5.73	-88.78
CC(C(=O)[O-])N(C)C(=O)C1=CC(Br)=C([O-])C(Br)=C1	REAL300003328102	0	27	-2.0	-87.39	270.66	5.00	-82.39
CC(C(=O)[O-])N(C)C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300003328172	0	33	-2.0	-97.16	293.78	2.00	-95.16
CC(C(=O)[O-])N(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300003328206	1	40	-2.0	-90.74	347.42	3.95	-86.79
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N(C)C(C)C(=O)[O-])=N2)=C1	REAL300003328218	0	43	-2.0	-123.01	352.90	7.69	-115.32
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N(C)C(C)C(=O)[O-])=N2)C=C1	REAL300003328219	0	43	-2.0	-120.87	353.05	7.58	-113.29
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(C)C(C)C(=O)[O-])=N1	REAL300003328241	0	37	-2.0	-117.18	320.46	6.76	-110.42
CC(C(=O)[O-])N(C)C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300003328244	0	34	-2.0	-118.51	298.91	5.79	-112.72
CC(C(=O)[O-])N(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300003328260	0	34	-2.0	-84.80	315.56	3.17	-81.63
CC(C(=O)[O-])N(C)C(=O)C1=CN=C(I)C([O-])=C1	REAL300003328277	0	26	-2.0	-90.92	254.11	2.98	-87.94
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N(C)C(C)C(=O)[O-])=N2)=C1	REAL300003328297	0	37	-2.0	-125.52	317.25	6.37	-119.15
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(C)C(C)C(=O)[O-])=N1	REAL300003328298	0	40	-2.0	-124.18	331.59	7.24	-116.94
CC1=C(CC(=O)N(C)C(C)C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003328306	1	40	-2.0	-105.93	338.91	4.59	-101.34
CCOC1=CC(C(=O)N(C)C(C)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300003328347	1	34	-2.0	-95.69	299.96	5.33	-90.36
CC(C(=O)[O-])N(C)C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300003328350	0	37	-2.0	-124.08	326.94	6.50	-117.58
COC1=CC=C(N2C=C([O-])C(C(=O)N(C)C(C)C(=O)[O-])=N2)C=C1	REAL300003328355	0	38	-2.0	-120.65	322.33	4.97	-115.68
CC1=C(CCC(=O)N(CC(=O)[O-])C2CCCC2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300003329024	1	54	-2.0	-119.17	415.57	8.47	-110.70
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N(CC(=O)[O-])C2CCCC2)C=C1	REAL300003329574	1	46	-2.0	-104.63	378.43	11.25	-93.38
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N(CC(=O)[O-])C2CCCC2)O1	REAL300003329935	1	47	-2.0	-115.52	382.54	5.02	-110.50
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(CC(=O)[O-])C2CCCC2)O1	REAL300003329936	1	38	-2.0	-112.08	326.73	2.55	-109.53
CC(C)C(=O)[N-]C1=NC(CC(=O)N(CC(=O)[O-])C2CCCC2)=CS1	REAL300003330435	1	45	-2.0	-100.15	372.76	6.94	-93.21
CC1=C(CC(=O)N(CC(=O)[O-])C2CCCC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003330627	1	47	-2.0	-108.80	381.40	6.92	-101.88
O=C([O-])CN(C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1CCCC1	REAL300003331401	1	37	-2.0	-120.82	317.32	7.63	-113.19
CS(=O)(=O)[N-]C1=CC=C(C(=O)N(CC(=O)[O-])C2CCCC2)C=N1	REAL300003331477	0	40	-2.0	-109.65	331.58	4.21	-105.44
O=C([O-])CN(C(=O)C1=CN=C(C2CC2)[N-]C1=O)C1CCCC1	REAL300003331495	1	39	-2.0	-126.02	323.14	5.79	-120.23
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N(CC(=O)[O-])C3CCCC3)=N2)=C1	REAL300003331543	0	50	-2.0	-134.98	393.69	10.14	-124.84
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N(CC(=O)[O-])C3CCCC3)=N2)C=C1	REAL300003331544	0	50	-2.0	-130.96	394.34	10.17	-120.79
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(CC(=O)[O-])C2CCCC2)=N1	REAL300003331596	0	44	-2.0	-126.02	362.11	9.28	-116.74
O=C([O-])CN(C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1CCCC1	REAL300003331601	0	41	-2.0	-124.44	340.25	8.31	-116.13
O=C([O-])CN(C(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1CCCC1	REAL300003331619	1	39	-2.0	-128.01	313.51	9.50	-118.51
O=C([O-])CN(C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C1CCCC1	REAL300003331637	0	41	-2.0	-102.16	340.25	4.65	-97.51
O=C([O-])CN(C(=O)C1=CN=C(I)C([O-])=C1)C1CCCC1	REAL300003331677	0	33	-2.0	-92.71	292.06	5.22	-87.49
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N(CC(=O)[O-])C3CCCC3)=N2)=C1	REAL300003331725	0	44	-2.0	-136.20	359.53	8.89	-127.31
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(CC(=O)[O-])C2CCCC2)=N1	REAL300003331726	0	47	-2.0	-130.21	356.61	9.55	-120.66
CC1=C(CC(=O)N(CC(=O)[O-])C2CCCC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003331768	1	47	-2.0	-106.78	380.67	6.86	-99.92
O=C([O-])CN(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1CCCC1	REAL300003331803	0	34	-2.0	-94.37	292.11	6.73	-87.64
COC1=C(C(=O)N(CC(=O)[O-])C2CCCC2)NC(=O)[N-]C1=O	REAL300003331809	1	37	-2.0	-102.39	312.38	0.92	-101.47
CCOC1=CC(C(=O)N(CC(=O)[O-])C2CCCC2)=CC(Cl)=C1[O-]	REAL300003331887	1	41	-2.0	-101.71	336.96	7.70	-94.01
O=C([O-])CN(C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C1CCCC1	REAL300003331890	0	44	-2.0	-143.13	370.18	9.15	-133.98
COC1=CC=C(N2C=C([O-])C(C(=O)N(CC(=O)[O-])C3CCCC3)=N2)C=C1	REAL300003331895	0	45	-2.0	-131.14	364.25	7.53	-123.61
C[N-]S(=O)(=O)C1=CC(C(=O)N(CC(=O)[O-])C2CCCC2)=CO1	REAL300003331906	1	38	-2.0	-109.15	322.88	2.08	-107.07
O=C([O-])CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCC1	REAL300003332012	0	37	-2.0	-96.60	310.28	6.13	-90.47
O=C([O-])CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCC1	REAL300003332012	1	37	-2.0	-96.56	310.35	6.14	-90.42
COCC1=NC=C(C(=O)N(CC(=O)[O-])C2CCCC2)C(=O)[N-]1	REAL300003332223	1	39	-2.0	-123.61	324.99	3.44	-120.17
O=C([O-])CN(C(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1CCCC1	REAL300003332257	1	42	-2.0	-126.54	338.89	6.33	-120.21
O=C([O-])CN(C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CCCC1	REAL300003332452	0	34	-2.0	-118.32	311.90	7.67	-110.65
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300003333480	1	42	-2.0	-100.93	369.18	5.09	-95.84
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(OCC(=O)[O-])C=C1	REAL300003333778	1	42	-2.0	-101.82	369.26	5.32	-96.50
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2=CC=C(OCC(=O)[O-])C=C2)C=C1	REAL300003333824	1	44	-2.0	-109.42	391.44	10.23	-99.19
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(OCC(=O)[O-])C=C2)O1	REAL300003334250	1	45	-2.0	-87.47	395.00	3.56	-83.91
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(OCC(=O)[O-])C=C2)O1	REAL300003334251	1	36	-2.0	-87.07	340.23	1.12	-85.95
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(OCC(=O)[O-])C=C1	REAL300003334514	0	39	-2.0	-100.76	348.09	4.41	-96.35
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=CC=C(OCC(=O)[O-])C=C2)=CS1	REAL300003334859	1	43	-2.0	-103.42	381.98	5.53	-97.89
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1=CC=C(OCC(=O)[O-])C=C1	REAL300003335092	0	39	-2.0	-94.23	354.20	4.49	-89.74
CC1=C(CC(=O)NC2=CC=C(OCC(=O)[O-])C=C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003335095	1	45	-2.0	-106.90	392.84	5.72	-101.18
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(OCC(=O)[O-])C=C1	REAL300003335098	1	45	-2.0	-102.30	390.76	6.10	-96.20
CC1=C(C(=O)NC2=CC=C(OCC(=O)[O-])C=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300003335179	1	45	-2.0	-89.24	372.09	5.90	-83.34
COC1=CC=C(C(=O)NC2=CC=C(OCC(=O)[O-])C=C2)C([O-])=C1	REAL300003335683	1	36	-2.0	-110.51	314.64	6.09	-104.42
O=C([O-])COC1=CC=C(NC(=O)C2=CC=C([O-])C(F)=C2)C=C1	REAL300003336243	1	32	-2.0	-91.44	293.62	5.34	-86.10
O=C([O-])COC1=CC=C(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C=C1	REAL300003336254	1	35	-2.0	-102.00	324.24	7.79	-94.21
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=C(OCC(=O)[O-])C=C2)C=N1	REAL300003336361	0	38	-2.0	-92.98	349.14	3.44	-89.54
O=C([O-])COC1=CC=C(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)C=C1	REAL300003336397	1	37	-2.0	-88.59	327.07	4.84	-83.75
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3=CC=C(OCC(=O)[O-])C=C3)=N2)=C1	REAL300003336457	0	48	-2.0	-111.08	408.44	8.48	-102.60
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(OCC(=O)[O-])C=C3)=N2)C=C1	REAL300003336458	0	48	-2.0	-109.78	408.37	8.48	-101.30
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(OCC(=O)[O-])C=C2)=N1	REAL300003336554	0	42	-2.0	-107.55	375.84	7.58	-99.97
O=C([O-])COC1=CC=C(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C=C1	REAL300003336559	0	39	-2.0	-109.18	354.58	6.63	-102.55
O=C([O-])COC1=CC=C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C=C1	REAL300003336601	0	37	-2.0	-109.49	328.03	7.42	-102.07
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC=C(OCC(=O)[O-])C=C3)=N2)=C1	REAL300003336768	0	42	-2.0	-114.57	372.93	7.21	-107.36
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(OCC(=O)[O-])C=C2)=N1	REAL300003336769	0	45	-2.0	-112.94	389.53	8.31	-104.63
CC1=C(CC(=O)NC2=CC=C(OCC(=O)[O-])C=C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003336847	1	45	-2.0	-105.55	392.11	5.67	-99.88
O=C([O-])COC1=CC=C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C=C1	REAL300003336909	0	32	-2.0	-89.67	309.61	5.90	-83.77
O=C([O-])COC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300003337031	0	35	-2.0	-99.24	312.56	4.20	-95.04
O=C([O-])COC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300003337031	1	35	-2.0	-99.26	312.61	4.21	-95.05
O=C([O-])COC1=CC=C(NC(=O)C2=CC=C([O-])C(Cl)=C2)C=C1	REAL300003337068	0	32	-2.0	-88.32	303.41	5.84	-82.48
CCOC1=CC(C(=O)NC2=CC=C(OCC(=O)[O-])C=C2)=CC(Cl)=C1[O-]	REAL300003337072	1	39	-2.0	-92.44	354.45	6.87	-85.57
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(OCC(=O)[O-])C=C3)=N2)C=C1	REAL300003337082	0	43	-2.0	-110.22	377.65	5.86	-104.36
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=C(OCC(=O)[O-])C=C2)=CO1	REAL300003337106	1	36	-2.0	-97.70	339.38	1.10	-96.60
O=C([O-])COC1=CC=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)C=C1	REAL300003337200	0	40	-2.0	-95.12	351.81	9.79	-85.33
O=C([O-])COC1=CC=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)C=C1	REAL300003337200	1	40	-2.0	-95.12	351.86	9.78	-85.34
O=C([O-])COC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300003337275	0	35	-2.0	-83.95	323.14	3.98	-79.97
O=C([O-])COC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300003337275	1	35	-2.0	-83.92	323.20	3.99	-79.93
COCC1=NC=C(C(=O)NC2=CC=C(OCC(=O)[O-])C=C2)C(=O)[N-]1	REAL300003337611	1	37	-2.0	-88.22	328.91	2.49	-85.73
O=C([O-])COC1=CC=C(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C=C1	REAL300003337659	1	40	-2.0	-88.50	342.82	5.39	-83.11
O=C([O-])COC1=CC=C(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C=C1	REAL300003337984	0	32	-2.0	-97.60	318.30	7.82	-89.78
CC1=C(NC(=O)C2=CC(C)=CC=C2[N-]S(C)(=O)=O)C=C(C(=O)[O-])S1	REAL300003339236	1	38	-2.0	-117.68	346.41	4.71	-112.97
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=C(C)SC(C(=O)[O-])=C1	REAL300003339546	1	38	-2.0	-119.00	346.49	4.94	-114.06
CC1=C(NC(=O)CN2C(=S)[N-]N=C2C2=CC=C(C)C=C2)C=C(C(=O)[O-])S1	REAL300003339594	1	40	-2.0	-129.15	369.11	9.88	-119.27
CC1=C(NC(=O)C2=CC=C(S(=O)(=O)[N-]C(C)(C)C)O2)C=C(C(=O)[O-])S1	REAL300003340035	1	41	-2.0	-94.81	371.25	3.28	-91.53
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=C(C)SC(C(=O)[O-])=C2)O1	REAL300003340036	1	32	-2.0	-94.49	317.63	0.75	-93.74
CC1=C(NC(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)C=C(C(=O)[O-])S1	REAL300003340308	0	35	-2.0	-117.40	325.02	4.04	-113.36
CC1=C(NC(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)C=C(C(=O)[O-])S1	REAL300003340666	1	39	-2.0	-122.24	359.19	5.15	-117.09
CC1=C(NC(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)C=C(C(=O)[O-])S1	REAL300003340906	0	35	-2.0	-109.26	331.43	4.10	-105.16
CC1=C(NC(=O)CC2=C(C)N=C(C3=CC=CN=C3)[N-]C2=O)C=C(C(=O)[O-])S1	REAL300003340909	1	41	-2.0	-124.86	369.14	5.30	-119.56
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=C(C)SC(C(=O)[O-])=C1	REAL300003340912	1	41	-2.0	-119.61	367.99	5.73	-113.88
CC1=C(NC(=O)C2=C(C)N=C(C(C)(C)C)[N-]C2=O)C=C(C(=O)[O-])S1	REAL300003340993	1	41	-2.0	-101.01	349.97	5.56	-95.45
COC1=CC=C(C(=O)NC2=C(C)SC(C(=O)[O-])=C2)C([O-])=C1	REAL300003341482	1	32	-2.0	-131.29	291.87	5.69	-125.60
CC1=C(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C=C(C(=O)[O-])S1	REAL300003342034	1	31	-2.0	-121.74	301.15	7.38	-114.36
CC1=C(NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C=C(C(=O)[O-])S1	REAL300003342141	0	34	-2.0	-103.13	326.25	3.09	-100.04
CC1=C(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)C=C(C(=O)[O-])S1	REAL300003342174	1	33	-2.0	-100.76	304.02	4.47	-96.29
CC1=C(NC(=O)C2=NN(C3=CC=CC(C(C)C)=C3)C=C2[O-])C=C(C(=O)[O-])S1	REAL300003342233	0	44	-2.0	-130.71	385.84	8.10	-122.61
CC1=C(NC(=O)C2=NN(C3=CC=C(C(C)C)C=C3)C=C2[O-])C=C(C(=O)[O-])S1	REAL300003342234	0	44	-2.0	-129.88	385.76	8.09	-121.79
CC1=C(NC(=O)C2=NN(C3=CC=C(F)C=C3C)C=C2[O-])C=C(C(=O)[O-])S1	REAL300003342324	0	38	-2.0	-126.88	347.98	7.18	-119.70
CC1=C(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C=C(C(=O)[O-])S1	REAL300003342329	0	35	-2.0	-128.80	331.98	6.24	-122.56
CC1=C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C=C(C(=O)[O-])S1	REAL300003342360	0	33	-2.0	-130.94	304.96	7.00	-123.94
CC1=C(NC(=O)C2=NN(C3=CC(C)=CC=C3F)C=C2[O-])C=C(C(=O)[O-])S1	REAL300003342515	0	38	-2.0	-134.98	350.32	6.83	-128.15
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=C(C)SC(C(=O)[O-])=C2)=N1	REAL300003342516	0	41	-2.0	-132.77	359.73	7.96	-124.81
CC1=C(NC(=O)CC2=C(C)N=C(C3=CC=NC=C3)[N-]C2=O)C=C(C(=O)[O-])S1	REAL300003342586	1	41	-2.0	-123.36	369.33	5.29	-118.07
CC1=C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C=C(C(=O)[O-])S1	REAL300003342637	0	28	-2.0	-99.36	287.02	5.54	-93.82
CC1=C(NC(=O)C2=CC=C([O-])C(Cl)=C2)C=C(C(=O)[O-])S1	REAL300003342777	0	28	-2.0	-101.97	280.81	5.47	-96.50
CCOC1=CC(C(=O)NC2=C(C)SC(C(=O)[O-])=C2)=CC(Cl)=C1[O-]	REAL300003342780	1	35	-2.0	-103.18	331.86	6.52	-96.66
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=C(C)SC(C(=O)[O-])=C3)=N2)C=C1	REAL300003342792	0	39	-2.0	-129.72	355.05	5.48	-124.24
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=C(C)SC(C(=O)[O-])=C2)=CO1	REAL300003342815	1	32	-2.0	-110.35	316.61	0.71	-109.64
CC1=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)C=C(C(=O)[O-])S1	REAL300003342903	0	36	-2.0	-112.99	329.26	9.37	-103.62
CC1=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)C=C(C(=O)[O-])S1	REAL300003342903	1	36	-2.0	-113.04	329.20	9.38	-103.66
CC1=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C(C(=O)[O-])S1	REAL300003342971	0	31	-2.0	-92.42	300.42	3.61	-88.81
CC1=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C(C(=O)[O-])S1	REAL300003342971	1	31	-2.0	-92.40	300.36	3.60	-88.80
COCC1=NC=C(C(=O)NC2=C(C)SC(C(=O)[O-])=C2)C(=O)[N-]1	REAL300003343292	1	33	-2.0	-100.45	305.69	2.13	-98.32
CC1=C(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C=C(C(=O)[O-])S1	REAL300003343336	1	36	-2.0	-100.72	319.78	5.02	-95.70
CC1=C(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C=C(C(=O)[O-])S1	REAL300003343635	0	28	-2.0	-116.49	295.23	7.41	-109.08
CC1=C(NC(=O)C2=C(C)N=C(C3=CC=CO3)[N-]C2=O)C=C(C(=O)[O-])S1	REAL300003343938	0	36	-2.0	-104.02	329.73	4.63	-99.39
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC(C(=O)[O-])=CC=C2C(C)C)O1	REAL300003345306	1	41	-2.0	-97.82	364.83	2.96	-94.86
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=CC(C(=O)[O-])=CC=C2C(C)C)=CS1	REAL300003345758	1	48	-2.0	-127.72	407.85	7.41	-120.31
COC1=CC=C(C(=O)NC2=CC(C(=O)[O-])=CC=C2C(C)C)C([O-])=C1	REAL300003346390	1	41	-2.0	-137.71	339.24	7.91	-129.80
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C([O-])C(F)=C1	REAL300003346840	1	37	-2.0	-109.41	318.21	7.20	-102.21
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300003346851	1	40	-2.0	-127.63	348.53	9.60	-118.03
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)CCC1=N[N-]N=N1	REAL300003346885	0	37	-2.0	-103.86	316.91	5.30	-98.56
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)CCC1=NN=N[N-]1	REAL300003346885	1	37	-2.0	-103.81	316.97	5.31	-98.50
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300003346956	0	43	-2.0	-106.80	373.46	5.31	-101.49
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300003346981	1	42	-2.0	-107.36	352.74	6.71	-100.65
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CN=CC([O-])=C1	REAL300003347018	1	36	-2.0	-112.62	307.05	5.33	-107.29
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC(C(=O)[O-])=CC=C2C(C)C)=N1	REAL300003347099	0	47	-2.0	-133.15	395.49	9.41	-123.74
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300003347104	0	44	-2.0	-135.26	379.18	8.49	-126.77
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300003347135	0	42	-2.0	-137.60	353.59	9.29	-128.31
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC(C(=O)[O-])=CC=C3C(C)C)=N2)=C1	REAL300003347273	0	47	-2.0	-141.86	397.53	9.05	-132.81
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC(C(=O)[O-])=CC=C2C(C)C)=N1	REAL300003347274	0	50	-2.0	-139.54	407.05	10.19	-129.35
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300003347385	0	37	-2.0	-103.67	335.49	7.80	-95.87
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)CCCC1=N[N-]N=N1	REAL300003347476	0	40	-2.0	-117.34	338.41	6.08	-111.26
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)CCCC1=NN=N[N-]1	REAL300003347476	1	40	-2.0	-117.39	338.47	6.09	-111.30
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300003347508	0	37	-2.0	-105.86	328.01	7.69	-98.17
CCOC1=CC(C(=O)NC2=CC(C(=O)[O-])=CC=C2C(C)C)=CC(Cl)=C1[O-]	REAL300003347512	1	44	-2.0	-106.73	380.33	8.77	-97.96
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC(C(=O)[O-])=CC=C3C(C)C)=N2)C=C1	REAL300003347518	0	48	-2.0	-136.40	402.25	7.70	-128.70
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC(C(=O)[O-])=CC=C2C(C)C)=CO1	REAL300003347534	1	41	-2.0	-113.02	365.26	2.97	-110.05
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300003347674	0	40	-2.0	-95.87	347.97	5.82	-90.05
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300003347674	1	40	-2.0	-95.39	348.99	5.86	-89.53
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1=C[N-]N=CC1=O	REAL300003347912	0	35	-2.0	-99.60	299.26	5.75	-93.85
COCC1=NC=C(C(=O)NC2=CC(C(=O)[O-])=CC=C2C(C)C)C(=O)[N-]1	REAL300003347936	1	42	-2.0	-107.05	353.08	4.36	-102.69
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300003347979	1	45	-2.0	-107.37	368.49	7.25	-100.12
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300003348226	0	37	-2.0	-122.63	342.77	9.64	-112.99
CC1=C(CCC(=O)NC(C)CC(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300003348867	1	47	-2.0	-102.13	382.14	5.34	-96.79
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)NC(C)CC(=O)[O-])=C1	REAL300003348911	1	47	-2.0	-107.01	399.62	6.82	-100.19
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC(C)CC(=O)[O-])C=C2)C=C1C	REAL300003348942	1	47	-2.0	-107.34	401.88	6.59	-100.75
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC(C)CC(=O)[O-])=C1	REAL300003349139	0	37	-2.0	-109.76	324.29	3.17	-106.59
CC(CC(=O)[O-])NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1	REAL300003349355	1	41	-2.0	-101.31	370.07	5.41	-95.90
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NC(C)CC(=O)[O-])=C2)C=C1F	REAL300003349383	1	44	-2.0	-104.76	390.36	6.07	-98.69
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(C)CC(=O)[O-]	REAL300003349402	0	37	-2.0	-110.52	324.37	3.39	-107.13
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC(C)CC(=O)[O-])C=C1	REAL300003349438	1	39	-2.0	-122.35	346.34	8.30	-114.05
CC(CC(=O)[O-])NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300003349484	1	41	-2.0	-99.10	369.85	5.45	-93.65
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C)CC(=O)[O-])C=C1	REAL300003349486	1	44	-2.0	-97.74	383.52	6.13	-91.61
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NC(C)CC(=O)[O-])C=C2)=C1C	REAL300003349490	1	47	-2.0	-99.17	400.53	6.68	-92.49
CC(CC(=O)[O-])NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300003349597	1	41	-2.0	-106.05	363.46	5.39	-100.66
CC(CC(=O)[O-])NC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300003349598	1	44	-2.0	-101.99	394.69	6.10	-95.89
CC(CC(=O)[O-])NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300003349599	1	41	-2.0	-108.09	363.63	5.37	-102.72
CC1=CC(C(=O)NC(C)CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300003349614	0	37	-2.0	-89.74	344.88	3.57	-86.17
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NC(C)CC(=O)[O-])C=C2)C=C1	REAL300003349722	1	44	-2.0	-98.37	385.02	6.04	-92.33
CC(CC(=O)[O-])NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2)=C1	REAL300003349798	1	41	-2.0	-102.48	380.37	5.86	-96.62
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)NC(C)CC(=O)[O-])=C1	REAL300003349799	0	45	-2.0	-111.52	392.88	4.69	-106.83
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NC(C)CC(=O)[O-])=C2)C=C1	REAL300003349800	1	45	-2.0	-106.19	393.16	4.65	-101.54
CC(CC(=O)[O-])NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300003349805	0	38	-2.0	-104.45	355.38	4.39	-100.06
CC(CC(=O)[O-])NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300003349818	1	40	-2.0	-98.60	348.96	1.73	-96.87
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NC(C)CC(=O)[O-])=C2)C=C1	REAL300003349896	1	44	-2.0	-108.27	385.04	6.02	-102.25
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)NC(C)CC(=O)[O-])=CC=C2C)C=C1	REAL300003349903	1	47	-2.0	-108.55	400.48	6.81	-101.74
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NC(C)CC(=O)[O-])C=C2)=CC=C1F	REAL300003349909	1	44	-2.0	-99.62	390.17	6.09	-93.53
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NC(C)CC(=O)[O-])C=C1	REAL300003349910	1	44	-2.0	-99.10	385.33	6.23	-92.87
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)NC(C)CC(=O)[O-])=CC=C1F	REAL300003349913	0	44	-2.0	-111.00	387.88	6.35	-104.65
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C)CC(=O)[O-])C=C1	REAL300003349940	0	45	-2.0	-101.58	392.86	4.70	-96.88
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2)C=C1C(=O)NC(C)CC(=O)[O-]	REAL300003349942	1	44	-2.0	-100.76	386.14	6.11	-94.65
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)NC(C)CC(=O)[O-])=CC=C2C)=C1	REAL300003349943	1	47	-2.0	-108.87	400.48	6.80	-102.07
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)NC(C)CC(=O)[O-])=C2)=C1	REAL300003349944	1	44	-2.0	-108.76	385.04	6.03	-102.73
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)NC(C)CC(=O)[O-])=C2)=C1	REAL300003349945	1	47	-2.0	-110.32	401.10	6.72	-103.60
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NC(C)CC(=O)[O-])=C2)=C1	REAL300003349950	1	47	-2.0	-108.03	400.53	6.80	-101.23
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC(C)CC(=O)[O-])=C1	REAL300003350013	0	41	-2.0	-114.54	358.97	1.39	-113.15
CC(CC(=O)[O-])NC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O	REAL300003350056	0	34	-2.0	-108.90	302.90	2.49	-106.41
CC(CC(=O)[O-])NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300003350066	0	38	-2.0	-106.31	355.57	4.40	-101.91
CC(CC(=O)[O-])NC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300003350067	0	41	-2.0	-107.31	380.22	5.04	-102.27
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(C)CC(=O)[O-])=CS1	REAL300003350338	1	38	-2.0	-103.29	337.09	3.60	-99.69
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NC(C)CC(=O)[O-])C=C2)C=C1	REAL300003350403	1	45	-2.0	-96.62	393.14	4.65	-91.97
CC(CC(=O)[O-])NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O	REAL300003350481	0	34	-2.0	-102.75	309.31	2.55	-100.20
CC1=C(CC(=O)NC(C)CC(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003350491	1	40	-2.0	-108.58	347.94	3.78	-104.80
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(C)CC(=O)[O-]	REAL300003350494	0	40	-2.0	-111.08	345.86	4.18	-106.90
CC(CC(=O)[O-])NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300003350631	1	41	-2.0	-98.01	363.62	5.36	-92.65
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)NC(C)CC(=O)[O-])=C1	REAL300003350633	0	47	-2.0	-117.32	398.05	7.09	-110.23
CC(CC(=O)[O-])NC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O	REAL300003350948	0	40	-2.0	-113.87	348.79	4.75	-109.12
CC(CC(=O)[O-])NC(=O)C1=CC(Br)=C([O-])C(Br)=C1	REAL300003351017	0	27	-2.0	-91.74	283.29	4.70	-87.04
CC(CC(=O)[O-])NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300003351113	0	33	-2.0	-102.88	303.95	1.52	-101.36
CC(CC(=O)[O-])NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300003351155	1	40	-2.0	-93.62	358.66	3.59	-90.03
CC(C)C1=CC(N2C=C([O-])C(C(=O)NC(C)CC(=O)[O-])=N2)=CC=C1	REAL300003351168	0	43	-2.0	-127.54	363.55	6.56	-120.98
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(C)CC(=O)[O-])=N2)C=C1	REAL300003351169	0	43	-2.0	-125.74	363.48	6.56	-119.18
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(C)CC(=O)[O-])=N1	REAL300003351204	0	37	-2.0	-121.52	331.02	5.66	-115.86
CC(CC(=O)[O-])NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300003351207	0	34	-2.0	-122.42	309.70	4.70	-117.72
CC(CC(=O)[O-])NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300003351227	0	34	-2.0	-91.43	325.17	2.80	-88.63
CC(CC(=O)[O-])NC(=O)C1=CN=C(I)C([O-])=C1	REAL300003351248	0	26	-2.0	-95.94	264.41	2.53	-93.41
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(C)CC(=O)[O-])=N2)=C1	REAL300003351281	0	37	-2.0	-130.04	328.04	5.29	-124.75
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(C)CC(=O)[O-])=N1	REAL300003351282	0	40	-2.0	-128.70	344.54	6.37	-122.33
CC1=C(CC(=O)NC(C)CC(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003351298	1	40	-2.0	-106.53	347.22	3.73	-102.80
CCOC1=CC(C(=O)NC(C)CC(=O)[O-])=CC(Cl)=C1[O-]	REAL300003351355	1	34	-2.0	-99.91	309.56	4.96	-94.95
CC(CC(=O)[O-])NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300003351359	0	37	-2.0	-131.58	333.19	6.07	-125.51
COC1=CC=C(N2C=C([O-])C(C(=O)NC(C)CC(=O)[O-])=N2)C=C1	REAL300003351368	0	38	-2.0	-125.34	332.76	3.94	-121.40
CC1=C(C(=O)NC(C)CC(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300003351831	0	35	-2.0	-113.76	307.15	3.06	-110.70
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC3=C(C=CC=C3C(=O)[O-])C2)=C1	REAL300003352521	0	45	-2.0	-114.49	380.42	6.66	-107.83
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC2=C(C=CC=C2C(=O)[O-])C1	REAL300003352790	0	45	-2.0	-115.77	380.38	6.91	-108.86
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC3=C(C=CC=C3C(=O)[O-])C2)O1	REAL300003353212	1	39	-2.0	-91.33	346.99	3.24	-88.09
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC2=C(C=CC=C2C(=O)[O-])C1	REAL300003353455	0	42	-2.0	-114.74	355.10	5.99	-108.75
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC3=C(C=CC=C3C(=O)[O-])C2)=CS1	REAL300003353789	1	46	-2.0	-115.57	391.62	7.61	-107.96
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCC2=C(C=CC=C2C(=O)[O-])C1	REAL300003354005	0	42	-2.0	-106.20	365.30	6.08	-100.12
CC1=C(C(=O)N2CCC3=C(C=CC=C3C(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300003354092	1	48	-2.0	-116.55	390.48	7.36	-109.19
O=C([O-])C1=CC=CC2=C1CCN(C(=O)C1=CC=C([O-])C(F)=C1)C2	REAL300003355137	1	35	-2.0	-102.05	301.40	7.04	-95.01
O=C([O-])C1=CC=CC2=C1CCN(C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C2	REAL300003355150	1	38	-2.0	-107.27	331.83	9.35	-97.92
O=C([O-])C1=CC=CC2=C1CCN(C(=O)CCC1=N[N-]N=N1)C2	REAL300003355184	0	35	-2.0	-96.94	300.68	5.52	-91.42
O=C([O-])C1=CC=CC2=C1CCN(C(=O)CCC1=NN=N[N-]1)C2	REAL300003355184	1	35	-2.0	-96.91	300.74	5.54	-91.37
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC3=C(C=CC=C3C(=O)[O-])C2)C=N1	REAL300003355273	0	41	-2.0	-107.31	356.53	5.14	-102.17
O=C([O-])C1=CC=CC2=C1CCN(C(=O)C1=CN=C(C3CC3)[N-]C1=O)C2	REAL300003355308	1	40	-2.0	-114.49	342.44	6.54	-107.95
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC3=C(C=CC=C3C(=O)[O-])C2)=N1	REAL300003355462	0	45	-2.0	-118.14	381.10	9.88	-108.26
O=C([O-])C1=CC=CC2=C1CCN(C(=O)C1=NN(C3=CC=CC(F)=C3)C=C1[O-])C2	REAL300003355467	0	42	-2.0	-119.99	360.05	8.91	-111.08
O=C([O-])C1=CC=CC2=C1CCN(C(=O)C1=C([O-])C3=CC=CC=C3C=N1)C2	REAL300003355509	1	40	-2.0	-123.54	334.26	10.06	-113.48
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC4=C(C=CC=C4C(=O)[O-])C3)=N2)=C1	REAL300003355676	0	45	-2.0	-126.84	379.40	9.53	-117.31
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC3=C(C=CC=C3C(=O)[O-])C2)=N1	REAL300003355677	0	48	-2.0	-122.89	394.35	10.51	-112.38
O=C([O-])C1=CC=CC2=C1CCN(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)C2	REAL300003355816	0	35	-2.0	-95.80	317.43	7.59	-88.21
COC1=C(C(=O)N2CCC3=C(C=CC=C3C(=O)[O-])C2)NC(=O)[N-]C1=O	REAL300003355833	1	38	-2.0	-95.15	331.13	1.60	-93.55
O=C([O-])C1=CC=CC2=C1CCN(C(=O)CCCC1=N[N-]N=N1)C2	REAL300003355933	0	38	-2.0	-108.49	322.22	6.31	-102.18
O=C([O-])C1=CC=CC2=C1CCN(C(=O)CCCC1=NN=N[N-]1)C2	REAL300003355933	1	38	-2.0	-108.49	322.28	6.32	-102.17
O=C([O-])C1=CC=CC2=C1CCN(C(=O)C1=CC=C([O-])C(Cl)=C1)C2	REAL300003355972	0	35	-2.0	-98.35	311.20	7.52	-90.83
CCOC1=CC(C(=O)N2CCC3=C(C=CC=C3C(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300003355976	1	42	-2.0	-101.70	362.28	8.57	-93.13
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC4=C(C=CC=C4C(=O)[O-])C3)=N2)C=C1	REAL300003355985	0	46	-2.0	-120.87	383.12	8.14	-112.73
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC3=C(C=CC=C3C(=O)[O-])C2)=CO1	REAL300003356009	1	39	-2.0	-93.83	344.75	2.86	-90.97
CC1=C(C(=O)N2CCC3=C(C=CC=C3C(=O)[O-])C2)C2=C([N-]C=NC2=O)O1	REAL300003356112	0	39	-2.0	-117.55	340.04	4.90	-112.65
O=C([O-])C1=CC=CC2=C1CCN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL300003356171	0	38	-2.0	-90.83	330.07	6.59	-84.24
O=C([O-])C1=CC=CC2=C1CCN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL300003356171	1	38	-2.0	-90.82	330.14	6.59	-84.23
COCC1=NC=C(C(=O)N2CCC3=C(C=CC=C3C(=O)[O-])C2)C(=O)[N-]1	REAL300003356507	1	40	-2.0	-112.27	344.54	4.13	-108.14
O=C([O-])C1=CC=CC2=C1CCN(C(=O)C1=CN=C(C3CCC3)[N-]C1=O)C2	REAL300003356556	1	43	-2.0	-97.37	350.47	7.00	-90.37
O=C([O-])C1=CC=CC2=C1CCN(C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C2	REAL300003356882	0	35	-2.0	-110.92	328.96	8.38	-102.54
COCC1=CC(NC(=O)C2=CC(C)=CC=C2[N-]S(C)(=O)=O)=CC(C(=O)[O-])=C1	REAL300003358080	1	45	-2.0	-121.99	393.18	4.55	-117.44
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC(COC)=CC(C(=O)[O-])=C1	REAL300003358344	1	45	-2.0	-123.39	393.25	4.77	-118.62
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC(COC)=CC(C(=O)[O-])=C2)O1	REAL300003358755	1	39	-2.0	-98.82	364.49	0.55	-98.27
COCC1=CC(NC(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)=CC(C(=O)[O-])=C1	REAL300003358990	0	42	-2.0	-122.84	372.07	3.86	-118.98
COCC1=CC(NC(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)=CC(C(=O)[O-])=C1	REAL300003359319	1	46	-2.0	-124.15	406.23	4.97	-119.18
COCC1=CC(NC(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)=CC(C(=O)[O-])=C1	REAL300003359533	0	42	-2.0	-113.59	378.20	3.94	-109.65
COCC1=CC(NC(=O)C2=C(C)N=C(C(C)(C)C)[N-]C2=O)=CC(C(=O)[O-])=C1	REAL300003359622	1	48	-2.0	-105.84	396.67	5.38	-100.46
COCC1=CC(NC(=O)C2=CC=C(OC)C=C2[O-])=CC(C(=O)[O-])=C1	REAL300003360114	1	39	-2.0	-137.07	338.92	5.55	-131.52
COCC1=CC(NC(=O)C2=CC=C([O-])C(F)=C2)=CC(C(=O)[O-])=C1	REAL300003360676	1	35	-2.0	-106.33	317.88	4.79	-101.54
COCC1=CC(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])=CC(C(=O)[O-])=C1	REAL300003360689	1	38	-2.0	-125.87	347.92	7.23	-118.64
COCC1=CC(NC(=O)CCC2=N[N-]N=N2)=CC(C(=O)[O-])=C1	REAL300003360730	0	35	-2.0	-105.50	315.32	2.86	-102.64
COCC1=CC(NC(=O)CCC2=NN=N[N-]2)=CC(C(=O)[O-])=C1	REAL300003360730	1	35	-2.0	-105.48	315.38	2.87	-102.61
COCC1=CC(NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)=CC(C(=O)[O-])=C1	REAL300003360818	0	41	-2.0	-108.22	373.11	2.89	-105.33
COCC1=CC(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)=CC(C(=O)[O-])=C1	REAL300003360854	1	40	-2.0	-104.95	350.90	4.38	-100.57
COCC1=CC(NC(=O)C2=CN=CC([O-])=C2)=CC(C(=O)[O-])=C1	REAL300003360898	1	34	-2.0	-113.55	306.72	2.90	-110.65
COCC1=CC(NC(=O)C2=NN(C3=CC=C(F)C=C3C)C=C2[O-])=CC(C(=O)[O-])=C1	REAL300003361010	0	45	-2.0	-131.09	399.67	7.06	-124.03
COCC1=CC(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])=CC(C(=O)[O-])=C1	REAL300003361015	0	42	-2.0	-132.76	378.87	6.07	-126.69
COCC1=CC(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)=CC(C(=O)[O-])=C1	REAL300003361061	0	40	-2.0	-137.03	352.01	6.87	-130.16
COCC1=CC(NC(=O)C2=NN(C3=CC(C)=CC=C3F)C=C2[O-])=CC(C(=O)[O-])=C1	REAL300003361230	0	45	-2.0	-139.60	397.21	6.65	-132.95
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC(COC)=CC(C(=O)[O-])=C2)=N1	REAL300003361231	0	48	-2.0	-136.78	406.59	7.81	-128.97
COCC1=CC(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)=CC(C(=O)[O-])=C1	REAL300003361367	0	35	-2.0	-104.15	333.88	5.34	-98.81
COCC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC(C(=O)[O-])=C1	REAL300003361485	0	38	-2.0	-118.05	336.54	3.65	-114.40
COCC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC(C(=O)[O-])=C1	REAL300003361485	1	38	-2.0	-118.12	336.60	3.67	-114.45
COCC1=CC(NC(=O)C2=CC=C([O-])C(Cl)=C2)=CC(C(=O)[O-])=C1	REAL300003361525	0	35	-2.0	-103.99	327.68	5.28	-98.71
CCOC1=CC(C(=O)NC2=CC(COC)=CC(C(=O)[O-])=C2)=CC(Cl)=C1[O-]	REAL300003361529	1	42	-2.0	-108.04	378.72	6.32	-101.72
COCC1=CC(NC(=O)C2=NN(C3=CC=C(OC)C=C3)C=C2[O-])=CC(C(=O)[O-])=C1	REAL300003361538	0	46	-2.0	-134.35	401.94	5.30	-129.05
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC(COC)=CC(C(=O)[O-])=C2)=CO1	REAL300003361562	1	39	-2.0	-115.32	363.66	0.54	-114.78
COCC1=CC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)=CC(C(=O)[O-])=C1	REAL300003361655	0	43	-2.0	-117.69	375.86	9.24	-108.45
COCC1=CC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)=CC(C(=O)[O-])=C1	REAL300003361655	1	43	-2.0	-117.76	375.81	9.25	-108.51
COCC1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC(C(=O)[O-])=C1	REAL300003361730	0	38	-2.0	-96.21	347.49	3.43	-92.78
COCC1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC(C(=O)[O-])=C1	REAL300003361730	1	38	-2.0	-96.20	347.42	3.42	-92.78
COCC1=CC(NC(=O)C2=C[N-]N=CC2=O)=CC(C(=O)[O-])=C1	REAL300003362029	0	33	-2.0	-98.69	298.93	3.34	-95.35
COCC1=CC(NC(=O)C2=CN=C(COC)[N-]C2=O)=CC(C(=O)[O-])=C1	REAL300003362065	1	40	-2.0	-104.47	353.00	1.98	-102.49
COCC1=CC(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)=CC(C(=O)[O-])=C1	REAL300003362115	1	43	-2.0	-105.40	366.64	4.84	-100.56
COCC1=CC(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=CC(C(=O)[O-])=C1	REAL300003362441	0	35	-2.0	-122.08	342.28	7.28	-114.80
O=C([O-])C(CC1=CC=CC2=CC=CC=C21)NC(=O)C1=CC=C([O-])C(F)=C1	REAL300003364747	1	40	-2.0	-104.31	351.64	8.54	-95.77
O=C([O-])C(CC1=CC=CC2=CC=CC=C21)NC(=O)CCC1=N[N-]N=N1	REAL300003364800	0	40	-2.0	-101.23	349.49	6.61	-94.62
O=C([O-])C(CC1=CC=CC2=CC=CC=C21)NC(=O)CCC1=NN=N[N-]1	REAL300003364800	1	40	-2.0	-101.12	349.54	6.63	-94.49
O=C([O-])C(CC1=CC=CC2=CC=CC=C21)NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300003364863	1	45	-2.0	-126.02	385.53	9.13	-116.89
O=C([O-])C(CC1=CC=CC2=CC=CC=C21)NC(=O)C1=CN=CC([O-])=C1	REAL300003364881	1	39	-2.0	-108.91	340.78	6.67	-102.24
O=C([O-])C(CC1=CC=CC2=CC=CC=C21)NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300003364963	1	45	-2.0	-140.74	386.08	10.70	-130.04
O=C([O-])C(CC1=CC=CC2=CC=CC=C21)NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300003365173	0	40	-2.0	-101.21	367.65	9.09	-92.12
COC1=C(C(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])NC(=O)[N-]C1=O	REAL300003365186	1	43	-2.0	-101.49	372.97	4.14	-97.35
O=C([O-])C(CC1=CC=CC2=CC=CC=C21)NC(=O)CCCC1=N[N-]N=N1	REAL300003365250	0	43	-2.0	-110.11	370.75	7.45	-102.66
O=C([O-])C(CC1=CC=CC2=CC=CC=C21)NC(=O)CCCC1=NN=N[N-]1	REAL300003365250	1	43	-2.0	-110.13	370.81	7.46	-102.67
O=C([O-])C(CC1=CC=CC2=CC=CC=C21)NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300003365277	0	40	-2.0	-102.36	361.44	9.04	-93.32
O=C([O-])C(CC1=CC=CC2=CC=CC=C21)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300003365394	0	43	-2.0	-94.56	380.41	7.15	-87.41
O=C([O-])C(CC1=CC=CC2=CC=CC=C21)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300003365394	1	43	-2.0	-94.58	380.46	7.16	-87.42
O=C([O-])C(CC1=CC=CC2=CC=CC=C21)NC(=O)C1=C[N-]N=CC1=O	REAL300003365556	0	38	-2.0	-106.53	331.91	7.07	-99.46
COCC1=NC=C(C(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])C(=O)[N-]1	REAL300003365574	1	45	-2.0	-125.24	387.33	6.77	-118.47
O=C([O-])C(CC1=CC=CC2=CC=CC=C21)NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300003365609	1	48	-2.0	-126.29	401.28	9.69	-116.60
O=C([O-])CC(NC(=O)C1=CC=C([O-])C(F)=C1)C1=CC=CC(Br)=C1	REAL300003367022	1	34	-2.0	-99.44	328.95	7.24	-92.20
O=C([O-])CC(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC(Br)=C1	REAL300003367062	0	34	-2.0	-94.53	319.24	4.59	-89.94
O=C([O-])CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC(Br)=C1	REAL300003367062	1	34	-2.0	-94.53	319.30	4.60	-89.93
O=C([O-])CC(NC(=O)C1=CN=CC([O-])=C1)C1=CC=CC(Br)=C1	REAL300003367113	1	33	-2.0	-101.20	310.75	4.66	-96.54
O=C([O-])CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC(Br)=C1	REAL300003367316	0	37	-2.0	-101.15	347.62	6.17	-94.98
O=C([O-])CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC(Br)=C1	REAL300003367316	1	37	-2.0	-101.17	347.67	6.19	-94.98
O=C([O-])CC(NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=CC=CC(Br)=C1	REAL300003367330	0	34	-2.0	-96.73	338.75	7.74	-88.99
O=C([O-])CC(NC(=O)C1=C[N-]N=CC1=O)C1=CC=CC(Br)=C1	REAL300003367493	0	32	-2.0	-91.34	303.06	5.12	-86.22
COC1=CC=C(C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2C)C([O-])=C1	REAL300003368898	1	35	-2.0	-101.17	320.28	7.23	-93.94
CC1=C(NC(=O)C2=CC=C([O-])C(F)=C2)C=C(Br)C=C1C(=O)[O-]	REAL300003369226	1	31	-2.0	-88.35	296.78	6.46	-81.89
CC1=C(NC(=O)CCC2=N[N-]N=N2)C=C(Br)C=C1C(=O)[O-]	REAL300003369289	0	31	-2.0	-85.09	294.22	4.52	-80.57
CC1=C(NC(=O)CCC2=NN=N[N-]2)C=C(Br)C=C1C(=O)[O-]	REAL300003369289	1	31	-2.0	-85.12	294.28	4.53	-80.59
CC1=C(NC(=O)C2=CN=CC([O-])=C2)C=C(Br)C=C1C(=O)[O-]	REAL300003369369	1	30	-2.0	-88.13	285.62	4.58	-83.55
CC1=C(NC(=O)CCCC2=N[N-]N=N2)C=C(Br)C=C1C(=O)[O-]	REAL300003369721	0	34	-2.0	-92.97	315.72	5.30	-87.67
CC1=C(NC(=O)CCCC2=NN=N[N-]2)C=C(Br)C=C1C(=O)[O-]	REAL300003369721	1	34	-2.0	-92.99	315.78	5.32	-87.67
CC1=C(NC(=O)C2=CC=C([O-])C(Cl)=C2)C=C(Br)C=C1C(=O)[O-]	REAL300003369745	0	31	-2.0	-84.95	306.58	6.95	-78.00
CC1=C(NC(=O)C2=C[N-]N=CC2=O)C=C(Br)C=C1C(=O)[O-]	REAL300003370000	0	29	-2.0	-80.66	277.84	5.01	-75.65
COCC1=NC=C(C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2C)C(=O)[N-]1	REAL300003370019	1	36	-2.0	-88.84	331.66	3.63	-85.21
COC1=CC=C(C(=O)NC2=CC(C(=O)[O-])=CC=C2OCC2=CC=CC=C2)C([O-])=C1	REAL300003371222	1	46	-2.0	-135.00	393.22	9.21	-125.79
O=C([O-])C1=CC=C(OCC2=CC=CC=C2)C(NC(=O)C2=CC=C([O-])C(F)=C2)=C1	REAL300003371425	1	42	-2.0	-107.43	373.02	8.47	-98.96
O=C([O-])C1=CC=C(OCC2=CC=CC=C2)C(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300003371465	0	42	-2.0	-102.74	370.46	6.54	-96.20
O=C([O-])C1=CC=C(OCC2=CC=CC=C2)C(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300003371465	1	42	-2.0	-102.75	370.51	6.56	-96.19
O=C([O-])C1=CC=C(OCC2=CC=CC=C2)C(NC(=O)C2=CN=CC([O-])=C2)=C1	REAL300003371517	1	41	-2.0	-110.44	361.84	6.59	-103.85
O=C([O-])C1=CC=C(OCC2=CC=CC=C2)C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300003371720	0	45	-2.0	-114.59	391.96	7.33	-107.26
O=C([O-])C1=CC=C(OCC2=CC=CC=C2)C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300003371720	1	45	-2.0	-114.59	392.01	7.35	-107.24
O=C([O-])C1=CC=C(OCC2=CC=CC=C2)C(NC(=O)C2=CC=C([O-])C(Cl)=C2)=C1	REAL300003371734	0	42	-2.0	-104.16	382.82	8.95	-95.21
O=C([O-])C1=CC=C(OCC2=CC=CC=C2)C(NC(=O)C2=C[N-]N=CC2=O)=C1	REAL300003371899	0	40	-2.0	-101.37	353.24	7.02	-94.35
COC1=CC=C(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C([O-])=C1	REAL300003373756	1	38	-2.0	-136.80	344.22	3.35	-133.45
CS(=O)(=O)C1=CC(NC(=O)C2=CC=C([O-])C(F)=C2)=CC(C(=O)[O-])=C1	REAL300003374180	1	34	-2.0	-110.46	323.48	2.60	-107.86
CS(=O)(=O)C1=CC(NC(=O)CCC2=N[N-]N=N2)=CC(C(=O)[O-])=C1	REAL300003374250	0	34	-2.0	-107.46	320.64	0.68	-106.78
CS(=O)(=O)C1=CC(NC(=O)CCC2=NN=N[N-]2)=CC(C(=O)[O-])=C1	REAL300003374250	1	34	-2.0	-107.43	320.70	0.69	-106.74
CS(=O)(=O)C1=CC(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)=CC(C(=O)[O-])=C1	REAL300003374328	1	39	-2.0	-107.90	356.06	2.20	-105.70
CS(=O)(=O)C1=CC(NC(=O)C2=CN=CC([O-])=C2)=CC(C(=O)[O-])=C1	REAL300003374347	1	33	-2.0	-117.55	312.30	0.72	-116.83
CS(=O)(=O)C1=CC(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)=CC(C(=O)[O-])=C1	REAL300003374457	0	39	-2.0	-140.37	357.60	4.68	-135.69
CS(=O)(=O)C1=CC(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)=CC(C(=O)[O-])=C1	REAL300003374699	0	34	-2.0	-106.07	339.19	3.16	-102.91
CS(=O)(=O)C1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC(C(=O)[O-])=C1	REAL300003374795	0	37	-2.0	-120.43	342.14	1.46	-118.97
CS(=O)(=O)C1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC(C(=O)[O-])=C1	REAL300003374795	1	37	-2.0	-120.43	342.20	1.47	-118.96
CS(=O)(=O)C1=CC(NC(=O)C2=CC=C([O-])C(Cl)=C2)=CC(C(=O)[O-])=C1	REAL300003374824	0	34	-2.0	-108.04	333.28	3.09	-104.95
CS(=O)(=O)C1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC(C(=O)[O-])=C1	REAL300003374960	0	37	-2.0	-100.46	353.06	1.24	-99.22
CS(=O)(=O)C1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC(C(=O)[O-])=C1	REAL300003374960	1	37	-2.0	-100.54	352.98	1.23	-99.31
CS(=O)(=O)C1=CC(NC(=O)C2=C[N-]N=CC2=O)=CC(C(=O)[O-])=C1	REAL300003375160	0	32	-2.0	-100.55	304.24	1.16	-99.39
COCC1=NC=C(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C(=O)[N-]1	REAL300003375185	1	39	-2.0	-107.33	358.16	-0.21	-107.54
CS(=O)(=O)C1=CC(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)=CC(C(=O)[O-])=C1	REAL300003375224	1	42	-2.0	-109.13	372.23	2.64	-106.49
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC(C(=O)[O-])C2CCCCC2)C=C1	REAL300003376739	1	49	-2.0	-116.61	401.61	10.57	-106.04
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C2CCCCC2)O1	REAL300003377100	1	50	-2.0	-97.83	405.91	4.21	-93.62
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C2CCCCC2)O1	REAL300003377101	1	41	-2.0	-96.90	353.24	1.71	-95.19
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(C(=O)[O-])C2CCCCC2)=CS1	REAL300003377588	1	48	-2.0	-119.61	391.94	5.86	-113.75
CC1=C(CC(=O)NC(C(=O)[O-])C2CCCCC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003377786	1	50	-2.0	-116.77	403.99	6.23	-110.54
O=C([O-])C(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1CCCCC1	REAL300003378666	1	40	-2.0	-119.81	335.99	8.44	-111.37
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(C(=O)[O-])C2CCCCC2)C=N1	REAL300003378751	0	43	-2.0	-105.89	363.75	4.04	-101.85
O=C([O-])C(NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C1CCCCC1	REAL300003378772	1	42	-2.0	-112.67	338.79	5.42	-107.25
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3CCCCC3)=N2)=C1	REAL300003378824	0	53	-2.0	-135.26	421.43	9.09	-126.17
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3CCCCC3)=N2)C=C1	REAL300003378825	0	53	-2.0	-134.23	423.27	9.07	-125.16
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(C(=O)[O-])C2CCCCC2)=N1	REAL300003378887	0	47	-2.0	-130.79	390.83	8.18	-122.61
O=C([O-])C(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1CCCCC1	REAL300003378892	0	44	-2.0	-131.45	369.49	7.22	-124.23
O=C([O-])C(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1CCCCC1	REAL300003378916	1	42	-2.0	-137.07	342.65	8.07	-129.00
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3CCCCC3)=N2)=C1	REAL300003379042	0	47	-2.0	-137.89	384.97	7.78	-130.11
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(C(=O)[O-])C2CCCCC2)=N1	REAL300003379043	0	50	-2.0	-136.80	397.36	8.93	-127.87
CC1=C(CC(=O)NC(C(=O)[O-])C2CCCCC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003379093	1	50	-2.0	-129.43	401.43	6.07	-123.36
O=C([O-])C(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1CCCCC1	REAL300003379137	0	37	-2.0	-98.39	322.61	6.52	-91.87
COC1=C(C(=O)NC(C(=O)[O-])C2CCCCC2)NC(=O)[N-]C1=O	REAL300003379144	1	40	-2.0	-99.42	330.67	1.56	-97.86
O=C([O-])C(NC(=O)C1=CC=C([O-])C(Cl)=C1)C1CCCCC1	REAL300003379237	0	37	-2.0	-98.97	316.39	6.45	-92.52
CCOC1=CC(C(=O)NC(C(=O)[O-])C2CCCCC2)=CC(Cl)=C1[O-]	REAL300003379240	1	44	-2.0	-104.58	363.76	7.30	-97.28
COC1=CC=C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3CCCCC3)=N2)C=C1	REAL300003379248	0	48	-2.0	-133.84	392.56	6.44	-127.40
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C(=O)[O-])C2CCCCC2)=CO1	REAL300003379262	1	41	-2.0	-103.44	352.36	1.69	-101.75
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCCC1	REAL300003379389	0	40	-2.0	-92.60	338.06	4.57	-88.03
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCCC1	REAL300003379389	1	40	-2.0	-92.59	338.12	4.58	-88.01
COCC1=NC=C(C(=O)NC(C(=O)[O-])C2CCCCC2)C(=O)[N-]1	REAL300003379635	1	42	-2.0	-111.60	340.62	3.07	-108.53
O=C([O-])C(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1CCCCC1	REAL300003379672	1	45	-2.0	-114.32	357.39	5.98	-108.34
O=C([O-])C(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CCCCC1	REAL300003379899	0	37	-2.0	-117.41	327.91	8.31	-109.10
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2C(C(=O)[O-])CC[C@H]2C2=CC=CC=C2)O1	REAL300003381349	1	42	-2.0	-119.04	362.31	4.31	-114.73
O=C([O-])C1CC[C@@H](C2=CC=CC=C2)N1C(=O)C1=CC=C([O-])C(F)=C1	REAL300003382750	1	38	-2.0	-114.06	313.17	8.83	-105.23
O=C([O-])C1CC[C@@H](C2=CC=CC=C2)N1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300003382762	1	41	-2.0	-132.63	339.16	10.22	-122.41
O=C([O-])C1CC[C@@H](C2=CC=CC=C2)N1C(=O)CCC1=N[N-]N=N1	REAL300003382802	0	38	-2.0	-106.19	318.32	7.25	-98.94
O=C([O-])C1CC[C@@H](C2=CC=CC=C2)N1C(=O)CCC1=NN=N[N-]1	REAL300003382802	1	38	-2.0	-106.25	318.37	7.26	-98.99
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2C(C(=O)[O-])CC[C@H]2C2=CC=CC=C2)C=N1	REAL300003382865	0	44	-2.0	-109.01	368.86	6.84	-102.17
O=C([O-])C1CC[C@@H](C2=CC=CC=C2)N1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300003382887	1	43	-2.0	-137.65	357.04	7.62	-130.03
O=C([O-])C1CC[C@@H](C2=CC=CC=C2)N1C(=O)C1=CN=CC([O-])=C1	REAL300003382920	1	37	-2.0	-120.63	301.05	6.22	-114.41
O=C([O-])C1CC[C@@H](C2=CC=CC=C2)N1C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300003383004	0	45	-2.0	-149.72	372.23	10.84	-138.88
O=C([O-])C1CC[C@@H](C2=CC=CC=C2)N1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300003383035	1	43	-2.0	-155.29	345.88	11.51	-143.78
O=C([O-])C1CC[C@@H](C2=CC=CC=C2)N1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300003383269	0	38	-2.0	-107.68	328.16	8.65	-99.03
COC1=C(C(=O)N2C(C(=O)[O-])CC[C@H]2C2=CC=CC=C2)NC(=O)[N-]C1=O	REAL300003383281	1	41	-2.0	-119.33	343.79	2.67	-116.66
O=C([O-])C1CC[C@@H](C2=CC=CC=C2)N1C(=O)CCCC1=N[N-]N=N1	REAL300003383358	0	41	-2.0	-116.42	342.96	8.23	-108.19
O=C([O-])C1CC[C@@H](C2=CC=CC=C2)N1C(=O)CCCC1=NN=N[N-]1	REAL300003383358	1	41	-2.0	-116.46	343.01	8.24	-108.22
O=C([O-])C1CC[C@@H](C2=CC=CC=C2)N1C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300003383389	0	38	-2.0	-110.93	322.96	9.31	-101.62
CCOC1=CC(C(=O)N2C(C(=O)[O-])CC[C@H]2C2=CC=CC=C2)=CC(Cl)=C1[O-]	REAL300003383393	1	45	-2.0	-112.26	373.02	9.63	-102.63
C[N-]S(=O)(=O)C1=CC(C(=O)N2C(C(=O)[O-])CC[C@H]2C2=CC=CC=C2)=CO1	REAL300003383414	1	42	-2.0	-114.54	357.06	3.90	-110.64
O=C([O-])C1CC[C@@H](C2=CC=CC=C2)N1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300003383551	0	41	-2.0	-98.28	341.80	8.42	-89.86
O=C([O-])C1CC[C@@H](C2=CC=CC=C2)N1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300003383551	1	41	-2.0	-98.27	341.86	8.42	-89.85
O=C([O-])C1CC[C@@H](C2=CC=CC=C2)N1C(=O)C1=C[N-]N=CC1=O	REAL300003383774	0	36	-2.0	-106.66	289.03	7.12	-99.54
COCC1=NC=C(C(=O)N2C(C(=O)[O-])CC[C@H]2C2=CC=CC=C2)C(=O)[N-]1	REAL300003383797	1	43	-2.0	-105.26	341.00	4.70	-100.56
O=C([O-])C1CC[C@@H](C2=CC=CC=C2)N1C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300003383839	1	46	-2.0	-104.95	354.70	7.65	-97.30
O=C([O-])C1CC[C@@H](C2=CC=CC=C2)N1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300003384069	0	38	-2.0	-126.43	332.48	10.23	-116.20
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)=C1	REAL300003385150	0	44	-2.0	-107.53	382.07	3.06	-104.47
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300003385410	0	44	-2.0	-102.21	383.77	3.33	-98.88
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)O1	REAL300003385816	1	38	-2.0	-91.74	351.20	-0.37	-92.11
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300003386049	0	41	-2.0	-101.01	362.30	2.43	-98.58
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)=CS1	REAL300003386370	1	45	-2.0	-108.75	396.04	4.02	-104.73
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300003386579	0	41	-2.0	-100.24	367.09	2.45	-97.79
CC1=C(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300003386668	1	47	-2.0	-108.22	395.99	4.05	-104.17
O=C([O-])C1=CN(C2CCN(C(=O)C3=CC=C([O-])C(F)=C3)C2)N=N1	REAL300003387714	1	34	-2.0	-102.57	302.20	3.34	-99.23
O=C([O-])C1=CN(C2CCN(C(=O)C3=CC=C(C(F)(F)F)C=C3[O-])C2)N=N1	REAL300003387727	1	37	-2.0	-101.14	338.40	5.43	-95.71
O=C([O-])C1=CN(C2CCN(C(=O)CCC3=NN=N[N-]3)C2)N=N1	REAL300003387768	0	34	-2.0	-95.13	305.38	1.95	-93.18
O=C([O-])C1=CN(C2CCN(C(=O)CCC3=N[N-]N=N3)C2)N=N1	REAL300003387768	1	34	-2.0	-95.17	305.32	1.94	-93.23
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)C=N1	REAL300003387855	0	40	-2.0	-101.58	357.64	1.45	-100.13
O=C([O-])C1=CN(C2CCN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)C2)N=N1	REAL300003387891	1	39	-2.0	-99.69	347.77	3.02	-96.67
O=C([O-])C1=CN(C2CCN(C(=O)C3=CN=CC([O-])=C3)C2)N=N1	REAL300003387934	1	33	-2.0	-100.57	291.08	1.44	-99.13
O=C([O-])C1=CN(C2CCN(C(=O)C3=NN(C4=CC=CC(F)=C4)C=C3[O-])C2)N=N1	REAL300003388050	0	41	-2.0	-111.53	366.78	5.27	-106.26
O=C([O-])C1=CN(C2CCN(C(=O)C3=C([O-])C4=CC=CC=C4C=N3)C2)N=N1	REAL300003388096	1	39	-2.0	-114.44	338.51	6.49	-107.95
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)=N1	REAL300003388265	0	47	-2.0	-114.83	398.91	6.84	-107.99
O=C([O-])C1=CN(C2CCN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)C2)N=N1	REAL300003388401	0	34	-2.0	-92.61	318.60	3.88	-88.73
COC1=C(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)NC(=O)[N-]C1=O	REAL300003388419	1	37	-2.0	-96.80	326.80	-0.46	-97.26
O=C([O-])C1=CN(C2CCN(C(=O)CCCC3=NN=N[N-]3)C2)N=N1	REAL300003388519	0	37	-2.0	-105.15	326.87	2.74	-102.41
O=C([O-])C1=CN(C2CCN(C(=O)CCCC3=N[N-]N=N3)C2)N=N1	REAL300003388519	1	37	-2.0	-105.11	326.81	2.72	-102.39
O=C([O-])C1=CN(C2CCN(C(=O)C3=CC=C([O-])C(Cl)=C3)C2)N=N1	REAL300003388559	0	34	-2.0	-98.49	312.00	3.83	-94.66
CCOC1=CC(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)=CC(Cl)=C1[O-]	REAL300003388563	1	41	-2.0	-96.31	363.45	4.86	-91.45
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC(N4C=C(C(=O)[O-])N=N4)C3)=N2)C=C1	REAL300003388572	0	45	-2.0	-112.44	389.85	4.50	-107.94
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)=CO1	REAL300003388596	1	38	-2.0	-99.63	348.28	-0.74	-100.37
O=C([O-])C1=CN(C2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)N=N1	REAL300003388764	0	37	-2.0	-87.40	334.45	2.89	-84.51
O=C([O-])C1=CN(C2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)N=N1	REAL300003388764	1	37	-2.0	-87.43	334.39	2.88	-84.55
O=C([O-])C1=CN(C2CCN(C(=O)C3=C[N-]N=CC3=O)C2)N=N1	REAL300003389061	0	32	-2.0	-89.98	295.90	2.04	-87.94
COCC1=NC=C(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)C(=O)[N-]1	REAL300003389097	1	39	-2.0	-101.37	349.58	0.62	-100.75
O=C([O-])C1=CN(C2CCN(C(=O)C3=CN=C(C4CCC4)[N-]C3=O)C2)N=N1	REAL300003389147	1	42	-2.0	-99.29	363.62	3.57	-95.72
O=C([O-])C1=CN(C2CCN(C(=O)C3=CC(Cl)=CC(Cl)=C3[O-])C2)N=N1	REAL300003389469	0	34	-2.0	-99.14	326.70	5.92	-93.22
O=C([O-])C1=CC=C2NC3=C(CN(C(=O)C4=CC=C([O-])C(F)=C4)CC3)C2=C1	REAL300003391997	1	39	-2.0	-105.37	335.22	7.04	-98.33
O=C([O-])C1=CC=C2NC3=C(CN(C(=O)CCC4=N[N-]N=N4)CC3)C2=C1	REAL300003392067	0	39	-2.0	-101.37	334.49	5.52	-95.85
O=C([O-])C1=CC=C2NC3=C(CN(C(=O)CCC4=NN=N[N-]4)CC3)C2=C1	REAL300003392067	1	39	-2.0	-101.36	334.55	5.53	-95.83
O=C([O-])C1=CC=C2NC3=C(CN(C(=O)C4=CN=C(C5CC5)[N-]C4=O)CC3)C2=C1	REAL300003392144	1	44	-2.0	-117.72	369.42	6.42	-111.30
O=C([O-])C1=CC=C2NC3=C(CN(C(=O)C4=CN=CC([O-])=C4)CC3)C2=C1	REAL300003392163	1	38	-2.0	-117.14	323.80	5.16	-111.98
O=C([O-])C1=CC=C2NC3=C(CN(C(=O)C4=C([O-])C5=CC=CC=C5C=N4)CC3)C2=C1	REAL300003392273	1	44	-2.0	-115.93	368.09	10.08	-105.85
O=C([O-])C1=CC=C2NC3=C(CN(C(=O)C4=CC(F)=C([O-])C(Cl)=C4)CC3)C2=C1	REAL300003392511	0	39	-2.0	-111.18	351.38	7.58	-103.60
O=C([O-])C1=CC=C2NC3=C(CN(C(=O)CCCC4=N[N-]N=N4)CC3)C2=C1	REAL300003392606	0	42	-2.0	-115.00	355.98	6.30	-108.70
O=C([O-])C1=CC=C2NC3=C(CN(C(=O)CCCC4=NN=N[N-]4)CC3)C2=C1	REAL300003392606	1	42	-2.0	-115.08	356.04	6.32	-108.76
O=C([O-])C1=CC=C2NC3=C(CN(C(=O)C4=CC=C([O-])C(Cl)=C4)CC3)C2=C1	REAL300003392635	0	39	-2.0	-101.71	345.00	7.52	-94.19
O=C([O-])C1=CC=C2NC3=C(CN(C(=O)C4=CC=C(C5=N[N-]N=N5)C=N4)CC3)C2=C1	REAL300003392770	0	42	-2.0	-106.84	363.53	6.61	-100.23
O=C([O-])C1=CC=C2NC3=C(CN(C(=O)C4=CC=C(C5=NN=N[N-]5)C=N4)CC3)C2=C1	REAL300003392770	1	42	-2.0	-106.76	363.60	6.62	-100.14
O=C([O-])C1=CC=C2NC3=C(CN(C(=O)C4=C[N-]N=CC4=O)CC3)C2=C1	REAL300003392965	0	37	-2.0	-106.22	319.57	5.51	-100.71
COCC1=NC=C(C(=O)N2CCC3=C(C2)C2=CC(C(=O)[O-])=CC=C2N3)C(=O)[N-]1	REAL300003392990	1	44	-2.0	-116.07	371.27	4.08	-111.99
O=C([O-])C1=CC=C2NC3=C(CN(C(=O)C4=CN=C(C5CCC5)[N-]C4=O)CC3)C2=C1	REAL300003393027	1	47	-2.0	-111.12	391.63	7.10	-104.02
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC2C2=NC(C(=O)[O-])=CS2)O1	REAL300003394578	1	38	-2.0	-97.32	361.16	1.21	-96.11
O=C([O-])C1=CSC(C2CCCN2C(=O)C2=CC=C([O-])C(F)=C2)=N1	REAL300003395916	1	34	-2.0	-109.99	313.65	4.96	-105.03
O=C([O-])C1=CSC(C2CCCN2C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])=N1	REAL300003395928	1	37	-2.0	-123.63	345.66	7.18	-116.45
O=C([O-])C1=CSC(C2CCCN2C(=O)CCC2=N[N-]N=N2)=N1	REAL300003395968	0	34	-2.0	-104.32	314.97	3.46	-100.86
O=C([O-])C1=CSC(C2CCCN2C(=O)CCC2=NN=N[N-]2)=N1	REAL300003395968	1	34	-2.0	-104.33	315.03	3.47	-100.86
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCCC2C2=NC(C(=O)[O-])=CS2)C=N1	REAL300003396024	0	40	-2.0	-106.27	368.79	3.03	-103.24
O=C([O-])C1=CSC(C2CCCN2C(=O)C2=CN=C(C3CC3)[N-]C2=O)=N1	REAL300003396045	1	39	-2.0	-116.00	357.54	4.54	-111.46
O=C([O-])C1=CSC(C2CCCN2C(=O)C2=CN=CC([O-])=C2)=N1	REAL300003396072	1	33	-2.0	-114.97	295.70	3.11	-111.86
O=C([O-])C1=CSC(C2CCCN2C(=O)C2=C([O-])C3=CC=CC=C3C=N2)=N1	REAL300003396178	1	39	-2.0	-132.46	348.27	8.04	-124.42
O=C([O-])C1=CSC(C2CCCN2C(=O)C2=CC(F)=C([O-])C(Cl)=C2)=N1	REAL300003396412	0	34	-2.0	-113.52	323.03	5.61	-107.91
COC1=C(C(=O)N2CCCC2C2=NC(C(=O)[O-])=CS2)NC(=O)[N-]C1=O	REAL300003396425	1	37	-2.0	-106.21	337.26	0.98	-105.23
O=C([O-])C1=CSC(C2CCCN2C(=O)CCCC2=N[N-]N=N2)=N1	REAL300003396497	0	37	-2.0	-118.29	336.41	4.23	-114.06
O=C([O-])C1=CSC(C2CCCN2C(=O)CCCC2=NN=N[N-]2)=N1	REAL300003396497	1	37	-2.0	-118.33	336.47	4.25	-114.08
O=C([O-])C1=CSC(C2CCCN2C(=O)C2=CC=C([O-])C(Cl)=C2)=N1	REAL300003396527	0	34	-2.0	-103.49	323.44	5.45	-98.04
CCOC1=CC(C(=O)N2CCCC2C2=NC(C(=O)[O-])=CS2)=CC(Cl)=C1[O-]	REAL300003396530	1	41	-2.0	-110.00	375.05	6.49	-103.51
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCCC2C2=NC(C(=O)[O-])=CS2)=CO1	REAL300003396551	1	38	-2.0	-114.21	358.07	0.82	-113.39
O=C([O-])C1=CSC(C2CCCN2C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL300003396678	0	37	-2.0	-96.46	343.70	4.51	-91.95
O=C([O-])C1=CSC(C2CCCN2C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL300003396678	1	37	-2.0	-96.41	343.76	4.51	-91.90
O=C([O-])C1=CSC(C2CCCN2C(=O)C2=C[N-]N=CC2=O)=N1	REAL300003396884	0	32	-2.0	-105.35	305.36	3.60	-101.75
COCC1=NC=C(C(=O)N2CCCC2C2=NC(C(=O)[O-])=CS2)C(=O)[N-]1	REAL300003396906	1	39	-2.0	-114.85	359.40	2.19	-112.66
O=C([O-])C1=CSC(C2CCCN2C(=O)C2=CN=C(C3CCC3)[N-]C2=O)=N1	REAL300003396944	1	42	-2.0	-116.73	372.77	5.05	-111.68
O=C([O-])C1=CSC(C2CCCN2C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=N1	REAL300003397161	0	34	-2.0	-118.42	339.70	7.22	-111.20
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=NC(C(=O)[O-])=CS3)CC2)O1	REAL300003398448	1	41	-2.0	-95.33	375.85	1.57	-93.76
O=C([O-])C1=CSC(C2CCN(C(=O)C3=CC=C([O-])C(F)=C3)CC2)=N1	REAL300003399794	1	37	-2.0	-98.45	332.75	5.58	-92.87
O=C([O-])C1=CSC(C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)=N1	REAL300003399866	0	37	-2.0	-93.50	329.70	3.99	-89.51
O=C([O-])C1=CSC(C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=N1	REAL300003399866	1	37	-2.0	-93.51	329.76	4.00	-89.51
O=C([O-])C1=CSC(C2CCN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)CC2)=N1	REAL300003399950	1	42	-2.0	-102.09	371.51	5.04	-97.05
O=C([O-])C1=CSC(C2CCN(C(=O)C3=CN=CC([O-])=C3)CC2)=N1	REAL300003399972	1	36	-2.0	-97.78	320.22	3.58	-94.20
O=C([O-])C1=CSC(C2CCN(C(=O)C3=C([O-])C4=CC=CC=C4C=N3)CC2)=N1	REAL300003400095	1	42	-2.0	-109.51	363.44	8.50	-101.01
O=C([O-])C1=CSC(C2CCN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)CC2)=N1	REAL300003400355	0	37	-2.0	-94.25	348.21	6.12	-88.13
COC1=C(C(=O)N2CCC(C3=NC(C(=O)[O-])=CS3)CC2)NC(=O)[N-]C1=O	REAL300003400374	1	40	-2.0	-96.94	360.54	0.06	-96.88
O=C([O-])C1=CSC(C2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)=N1	REAL300003400463	0	40	-2.0	-100.56	351.23	4.77	-95.79
O=C([O-])C1=CSC(C2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)=N1	REAL300003400463	1	40	-2.0	-100.58	351.29	4.78	-95.80
O=C([O-])C1=CSC(C2CCN(C(=O)C3=CC=C([O-])C(Cl)=C3)CC2)=N1	REAL300003400495	0	37	-2.0	-94.62	342.54	6.07	-88.55
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(C3=NC(C(=O)[O-])=CS3)CC2)=CO1	REAL300003400525	1	41	-2.0	-96.44	376.04	1.40	-95.04
O=C([O-])C1=CSC(C2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)=N1	REAL300003400645	0	40	-2.0	-90.17	358.90	5.01	-85.16
O=C([O-])C1=CSC(C2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)=N1	REAL300003400645	1	40	-2.0	-90.18	358.97	5.03	-85.15
O=C([O-])C1=CSC(C2CCN(C(=O)C3=C[N-]N=CC3=O)CC2)=N1	REAL300003400857	0	35	-2.0	-91.81	320.00	4.07	-87.74
COCC1=NC=C(C(=O)N2CCC(C3=NC(C(=O)[O-])=CS3)CC2)C(=O)[N-]1	REAL300003400886	1	42	-2.0	-100.33	373.33	2.59	-97.74
O=C([O-])C1=CSC(C2CCN(C(=O)C3=CN=C(C4CCC4)[N-]C3=O)CC2)=N1	REAL300003400926	1	45	-2.0	-96.76	382.06	5.50	-91.26
CCCC1(C(=O)[O-])CCCN1C(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1	REAL300003402483	1	49	-2.0	-140.08	399.61	12.13	-127.95
CCCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300003402844	1	50	-2.0	-102.81	400.16	6.15	-96.66
CCCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(S(=O)(=O)[N-]C)O1	REAL300003402845	1	41	-2.0	-101.59	344.71	3.73	-97.86
CCCC1(C(=O)[O-])CCCN1C(=O)CC1=CSC([N-]C(=O)C(C)C)=N1	REAL300003403332	1	48	-2.0	-120.69	389.97	7.42	-113.27
CCCC1(C(=O)[O-])CCCN1C(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O	REAL300003403530	1	50	-2.0	-125.54	400.83	7.65	-117.89
CCCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300003404410	1	40	-2.0	-118.22	320.13	8.49	-109.73
CCCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300003404495	0	43	-2.0	-127.16	345.07	3.81	-123.35
CCCC1(C(=O)[O-])CCCN1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300003404516	1	42	-2.0	-117.16	327.56	6.39	-110.77
CCCC1(C(=O)[O-])CCCN1C(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-]	REAL300003404568	0	53	-2.0	-146.21	416.09	11.35	-134.86
CCCC1(C(=O)[O-])CCCN1C(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-]	REAL300003404569	0	53	-2.0	-145.39	416.01	11.36	-134.03
CCCC1(C(=O)[O-])CCCN1C(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-]	REAL300003404631	0	47	-2.0	-142.16	383.08	10.47	-131.69
CCCC1(C(=O)[O-])CCCN1C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300003404636	0	44	-2.0	-143.45	362.24	9.50	-133.95
CCCC1(C(=O)[O-])CCCN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300003404660	1	42	-2.0	-146.80	335.00	10.15	-136.65
CCCC1(C(=O)[O-])CCCN1C(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-]	REAL300003404786	0	47	-2.0	-150.64	380.57	10.08	-140.56
CCCC1(C(=O)[O-])CCCN1C(=O)C1=NN(C2=CC=CC=C2CC)C=C1[O-]	REAL300003404787	0	50	-2.0	-148.52	394.80	10.99	-137.53
CCCC1(C(=O)[O-])CCCN1C(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O	REAL300003404837	1	50	-2.0	-123.51	401.00	7.64	-115.87
CCCC1(C(=O)[O-])CCCN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300003404881	0	37	-2.0	-106.32	312.47	7.69	-98.63
CCCC1(C(=O)[O-])CCCN1C(=O)C1=C(OC)C(=O)[N-]C(=O)N1	REAL300003404888	1	40	-2.0	-104.95	317.56	2.48	-102.47
CCCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300003404981	0	37	-2.0	-108.61	306.16	7.63	-100.98
CCCC1(C(=O)[O-])CCCN1C(=O)C1=CC(Cl)=C([O-])C(OCC)=C1	REAL300003404984	1	44	-2.0	-111.41	357.31	8.65	-102.76
CCCC1(C(=O)[O-])CCCN1C(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-]	REAL300003404992	0	48	-2.0	-144.91	385.29	8.73	-136.18
CCCC1(C(=O)[O-])CCCN1C(=O)C1=COC(S(=O)(=O)[N-]C)=C1	REAL300003405006	1	41	-2.0	-112.18	341.93	2.98	-109.20
CCCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300003405133	0	40	-2.0	-97.39	330.44	7.08	-90.31
CCCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300003405133	1	40	-2.0	-97.43	330.51	7.08	-90.35
CCCC1(C(=O)[O-])CCCN1C(=O)C1=CN=C(COC)[N-]C1=O	REAL300003405379	1	42	-2.0	-115.73	329.66	3.98	-111.75
CCCC1(C(=O)[O-])CCCN1C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300003405416	1	45	-2.0	-110.25	344.08	6.79	-103.46
CCCC1(C(=O)[O-])CCCN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300003405643	0	37	-2.0	-126.10	317.46	8.67	-117.43
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2(CC(=O)[O-])CCOCC2)=C1	REAL300003406726	0	48	-2.0	-107.22	379.17	3.23	-103.99
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1(CC(=O)[O-])CCOCC1	REAL300003407008	0	48	-2.0	-108.27	379.24	3.46	-104.81
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2(CC(=O)[O-])CCOCC2)O1	REAL300003407440	1	42	-2.0	-94.06	350.48	-0.75	-94.81
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1(CC(=O)[O-])CCOCC1	REAL300003407690	0	45	-2.0	-106.69	357.77	2.56	-104.13
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC2(CC(=O)[O-])CCOCC2)=CS1	REAL300003408024	1	49	-2.0	-110.65	392.23	3.65	-107.00
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCC1(CC(=O)[O-])CCOCC1	REAL300003408248	0	45	-2.0	-100.01	364.19	2.62	-97.39
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1(CC(=O)[O-])CCOCC1	REAL300003408252	0	51	-2.0	-108.81	400.74	4.25	-104.56
CC1=C(C(=O)NCC2(CC(=O)[O-])CCOCC2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300003408334	1	51	-2.0	-102.15	382.04	4.05	-98.10
O=C([O-])CC1(CNC(=O)C2=CC=C([O-])C(F)=C2)CCOCC1	REAL300003409367	1	38	-2.0	-95.95	303.74	3.51	-92.44
O=C([O-])CC1(CNC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CCOCC1	REAL300003409379	1	41	-2.0	-107.56	334.10	6.04	-101.52
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC2(CC(=O)[O-])CCOCC2)C=N1	REAL300003409492	0	44	-2.0	-97.45	358.98	1.59	-95.86
O=C([O-])CC1(CNC(=O)C2=CN=C(C3CC3)[N-]C2=O)CCOCC1	REAL300003409526	1	43	-2.0	-101.70	336.55	2.99	-98.71
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC2(CC(=O)[O-])CCOCC2)=N1	REAL300003409679	0	48	-2.0	-118.53	385.93	5.73	-112.80
O=C([O-])CC1(CNC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CCOCC1	REAL300003409684	0	45	-2.0	-119.16	364.83	4.76	-114.40
O=C([O-])CC1(CNC(=O)C2=C([O-])C3=CC=CC=C3C=N2)CCOCC1	REAL300003409725	1	43	-2.0	-125.70	337.99	5.65	-120.05
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC3(CC(=O)[O-])CCOCC3)=N2)=C1	REAL300003409890	0	48	-2.0	-126.34	383.17	5.35	-120.99
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC2(CC(=O)[O-])CCOCC2)=N1	REAL300003409891	0	51	-2.0	-122.61	392.21	6.53	-116.08
O=C([O-])CC1(CNC(=O)C2=CC(F)=C([O-])C(Cl)=C2)CCOCC1	REAL300003410028	0	38	-2.0	-91.74	319.75	4.06	-87.68
COC1=C(C(=O)NCC2(CC(=O)[O-])CCOCC2)NC(=O)[N-]C1=O	REAL300003410045	1	41	-2.0	-95.90	325.94	-0.86	-96.76
O=C([O-])CC1(CNC(=O)CCCC2=N[N-]N=N2)CCOCC1	REAL300003410144	0	41	-2.0	-98.21	322.76	2.32	-95.89
O=C([O-])CC1(CNC(=O)CCCC2=NN=N[N-]2)CCOCC1	REAL300003410144	1	41	-2.0	-98.19	322.82	2.33	-95.86
O=C([O-])CC1(CNC(=O)C2=CC=C([O-])C(Cl)=C2)CCOCC1	REAL300003410182	0	38	-2.0	-92.97	313.54	3.98	-88.99
CCOC1=CC(C(=O)NCC2(CC(=O)[O-])CCOCC2)=CC(Cl)=C1[O-]	REAL300003410186	1	45	-2.0	-96.07	364.60	5.01	-91.06
COC1=CC=C(N2C=C([O-])C(C(=O)NCC3(CC(=O)[O-])CCOCC3)=N2)C=C1	REAL300003410196	0	49	-2.0	-124.17	387.90	4.00	-120.17
C[N-]S(=O)(=O)C1=CC(C(=O)NCC2(CC(=O)[O-])CCOCC2)=CO1	REAL300003410219	1	42	-2.0	-98.90	349.70	-0.78	-99.68
O=C([O-])CC1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCOCC1	REAL300003410382	0	41	-2.0	-88.29	333.39	2.12	-86.17
O=C([O-])CC1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCOCC1	REAL300003410382	1	41	-2.0	-88.25	333.46	2.13	-86.12
COCC1=NC=C(C(=O)NCC2(CC(=O)[O-])CCOCC2)C(=O)[N-]1	REAL300003410712	1	43	-2.0	-100.74	338.39	0.65	-100.09
O=C([O-])CC1(CNC(=O)C2=CN=C(C3CCC3)[N-]C2=O)CCOCC1	REAL300003410761	1	46	-2.0	-101.83	352.30	3.55	-98.28
O=C([O-])CC1(CNC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCOCC1	REAL300003411080	0	38	-2.0	-103.53	328.14	6.07	-97.46
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CC(C(F)C(=O)[O-])C2)=C1	REAL300003412243	0	38	-2.0	-96.92	337.35	3.86	-93.06
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC(C(F)C(=O)[O-])C1	REAL300003412538	0	38	-2.0	-102.24	336.48	4.06	-98.18
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CC(C(F)C(=O)[O-])C2)C=C1	REAL300003412585	1	40	-2.0	-107.31	360.35	9.45	-97.86
O=C([O-])C(F)C1CN(C(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3)C=C2)C1	REAL300003412763	1	42	-2.0	-100.82	373.54	6.10	-94.72
O=C([O-])C(F)C1CN(C(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)C1	REAL300003412764	1	42	-2.0	-94.56	372.18	6.02	-88.54
CC1=CC(C(=O)N2CC(C(F)C(=O)[O-])C2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300003412776	0	38	-2.0	-83.23	354.45	4.25	-78.98
O=C([O-])C(F)C1CN(C(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CS3)C=C2)C1	REAL300003413002	0	39	-2.0	-99.15	365.41	5.16	-93.99
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC(C(F)C(=O)[O-])C2)O1	REAL300003413020	1	41	-2.0	-97.27	361.80	2.84	-94.43
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC(C(F)C(=O)[O-])C2)O1	REAL300003413021	1	32	-2.0	-96.59	308.18	0.30	-96.29
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CC(C(F)C(=O)[O-])C2)=C1	REAL300003413252	0	42	-2.0	-103.28	371.22	2.06	-101.22
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC(C(F)C(=O)[O-])C1	REAL300003413296	0	35	-2.0	-100.38	314.46	3.12	-97.26
O=C([O-])C(F)C1CN(C(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CS3)=C2)C1	REAL300003413304	0	39	-2.0	-96.41	365.25	5.09	-91.32
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC(C(F)C(=O)[O-])C2)=CS1	REAL300003413649	1	39	-2.0	-94.28	351.37	4.77	-89.51
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CC(C(F)C(=O)[O-])C1	REAL300003413861	0	35	-2.0	-91.86	322.37	3.26	-88.60
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC(C(F)C(=O)[O-])C1	REAL300003413873	0	41	-2.0	-102.74	357.98	4.84	-97.90
O=C([O-])C(F)C1CN(C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3)C=C2)C1	REAL300003414023	1	42	-2.0	-92.15	373.73	6.09	-86.06
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)N1CC(C(F)C(=O)[O-])C1	REAL300003414567	0	41	-2.0	-105.54	361.62	5.41	-100.13
O=C([O-])C(F)C1CN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300003414735	1	31	-2.0	-95.58	292.12	6.58	-89.00
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CC(C(F)C(=O)[O-])C2)C=N1	REAL300003414825	0	34	-2.0	-95.57	313.05	2.22	-93.35
O=C([O-])C(F)C1CN(C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=NC=C3)C=C2)C1	REAL300003414886	1	41	-2.0	-88.11	368.77	4.31	-83.80
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CC(C(F)C(=O)[O-])C3)=N2)C=C1	REAL300003414901	0	44	-2.0	-112.31	374.60	7.70	-104.61
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CC(C(F)C(=O)[O-])C2)=N1	REAL300003414968	0	38	-2.0	-109.79	342.61	6.95	-102.84
O=C([O-])C(F)C1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300003414992	1	33	-2.0	-113.66	292.70	6.86	-106.80
O=C([O-])C(F)C1CN(C(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)C1	REAL300003415010	0	35	-2.0	-80.38	333.72	3.45	-76.93
O=C([O-])C(F)C1CN(C(=O)C2=CN=C(I)C([O-])=C2)C1	REAL300003415048	0	27	-2.0	-90.54	274.46	3.26	-87.28
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CC(C(F)C(=O)[O-])C3)=N2)=C1	REAL300003415098	0	38	-2.0	-114.01	340.70	6.50	-107.51
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC(C(F)C(=O)[O-])C2)=N1	REAL300003415099	0	41	-2.0	-115.32	354.22	7.45	-107.87
O=C([O-])C(F)C1CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300003415177	0	28	-2.0	-88.47	274.85	4.69	-83.78
CCOC1=CC(C(=O)N2CC(C(F)C(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300003415261	1	35	-2.0	-93.29	319.69	5.66	-87.63
O=C([O-])C(F)C1CN(C(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])C1	REAL300003415265	0	38	-2.0	-116.79	334.78	6.85	-109.94
COC1=CC=C(N2C=C([O-])C(C(=O)N3CC(C(F)C(=O)[O-])C3)=N2)C=C1	REAL300003415271	0	39	-2.0	-112.72	344.44	5.12	-107.60
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC(C(F)C(=O)[O-])C2)=CO1	REAL300003415289	1	32	-2.0	-88.45	304.18	0.04	-88.41
O=C([O-])C(F)C1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300003415406	0	31	-2.0	-85.67	290.35	3.37	-82.30
O=C([O-])C(F)C1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300003415406	1	31	-2.0	-85.64	290.41	3.38	-82.26
O=C([O-])C(F)C1CN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300003415883	0	28	-2.0	-97.56	284.66	6.54	-91.02
CC1=C(C(=O)N2CC(C(F)C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300003416115	1	36	-2.0	-107.41	330.79	3.97	-103.44
CC1=C(CCC(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])C(=O)NC(N2CCOCC2)=N1	REAL300003416540	0	54	-2.0	-114.81	418.74	7.82	-106.99
CC1=C(CCC(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300003416540	1	54	-2.0	-114.81	418.74	7.82	-106.99
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])C=C1	REAL300003417090	1	46	-2.0	-105.90	382.19	10.74	-95.16
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])O1	REAL300003417451	1	47	-2.0	-102.49	386.28	4.04	-98.45
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])O1	REAL300003417452	1	38	-2.0	-101.04	330.83	1.64	-99.40
CC(C)C(=O)[N-]C1=NC(CC(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])=CS1	REAL300003417951	1	45	-2.0	-103.63	372.60	6.02	-97.61
CC1=C(CC(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003418143	1	47	-2.0	-109.71	382.51	6.17	-103.54
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300003418917	1	37	-2.0	-111.65	314.54	8.40	-103.25
CS(=O)(=O)[N-]C1=CC=C(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])C=N1	REAL300003418993	0	40	-2.0	-105.66	340.99	3.50	-102.16
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300003419011	1	39	-2.0	-115.82	316.92	5.44	-110.38
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N[C@H]3CCCC[C@H]3C(=O)[O-])=N2)=C1	REAL300003419059	0	50	-2.0	-131.08	399.03	9.01	-122.07
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N[C@H]3CCCC[C@H]3C(=O)[O-])=N2)C=C1	REAL300003419060	0	50	-2.0	-129.00	398.96	9.01	-119.99
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])=N1	REAL300003419112	0	44	-2.0	-124.42	366.52	8.10	-116.32
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300003419117	0	41	-2.0	-125.26	345.19	7.14	-118.12
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300003419135	1	39	-2.0	-129.21	318.33	8.02	-121.19
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300003419153	0	41	-2.0	-92.31	360.66	5.27	-87.04
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1=CN=C(I)C([O-])=C1	REAL300003419193	0	33	-2.0	-97.21	299.89	4.98	-92.23
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@H]3CCCC[C@H]3C(=O)[O-])=N2)=C1	REAL300003419241	0	44	-2.0	-132.92	365.07	7.26	-125.66
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])=N1	REAL300003419242	0	47	-2.0	-130.69	373.06	8.88	-121.81
CC1=C(CC(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003419284	1	47	-2.0	-107.67	382.69	6.17	-101.50
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300003419319	0	34	-2.0	-96.34	301.76	5.97	-90.37
COC1=C(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])NC(=O)[N-]C1=O	REAL300003419325	1	37	-2.0	-98.23	307.90	1.03	-97.20
CCOC1=CC(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300003419403	1	41	-2.0	-101.95	345.04	7.41	-94.54
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300003419406	0	44	-2.0	-135.67	370.22	8.05	-127.62
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@H]3CCCC[C@H]3C(=O)[O-])=N2)C=C1	REAL300003419411	0	45	-2.0	-128.50	368.25	6.39	-122.11
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])=CO1	REAL300003419422	1	38	-2.0	-98.26	329.96	1.61	-96.65
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300003419528	0	37	-2.0	-91.81	313.72	4.51	-87.30
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300003419528	1	37	-2.0	-91.81	313.81	4.52	-87.29
COCC1=NC=C(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])C(=O)[N-]1	REAL300003419739	1	39	-2.0	-113.91	319.01	3.03	-110.88
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300003419773	1	42	-2.0	-115.62	332.76	5.98	-109.64
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300003419968	0	34	-2.0	-108.57	308.60	8.44	-100.13
CC1=C(CCC(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300003420611	1	54	-2.0	-114.81	418.74	7.82	-106.99
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])C=C1	REAL300003421161	1	46	-2.0	-105.90	382.19	10.74	-95.16
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])O1	REAL300003421522	1	47	-2.0	-102.49	386.28	4.04	-98.45
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])O1	REAL300003421523	1	38	-2.0	-101.04	330.83	1.64	-99.40
CC(C)C(=O)[N-]C1=NC(CC(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])=CS1	REAL300003422022	1	45	-2.0	-103.63	372.60	6.02	-97.61
CC1=C(CC(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003422214	1	47	-2.0	-109.71	382.51	6.17	-103.54
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300003422988	1	37	-2.0	-111.65	314.54	8.40	-103.25
CS(=O)(=O)[N-]C1=CC=C(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])C=N1	REAL300003423064	0	40	-2.0	-105.66	340.99	3.50	-102.16
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300003423082	1	39	-2.0	-115.82	316.92	5.44	-110.38
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N[C@H]3CCCC[C@H]3C(=O)[O-])=N2)=C1	REAL300003423130	0	50	-2.0	-131.08	399.03	9.01	-122.07
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N[C@H]3CCCC[C@H]3C(=O)[O-])=N2)C=C1	REAL300003423131	0	50	-2.0	-129.00	398.96	9.01	-119.99
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])=N1	REAL300003423183	0	44	-2.0	-124.42	366.52	8.10	-116.32
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300003423188	0	41	-2.0	-125.26	345.19	7.14	-118.12
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300003423206	1	39	-2.0	-129.21	318.33	8.02	-121.19
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300003423224	0	41	-2.0	-92.31	360.66	5.27	-87.04
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1=CN=C(I)C([O-])=C1	REAL300003423264	0	33	-2.0	-97.21	299.89	4.98	-92.23
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@H]3CCCC[C@H]3C(=O)[O-])=N2)=C1	REAL300003423312	0	44	-2.0	-132.92	365.07	7.26	-125.66
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])=N1	REAL300003423313	0	47	-2.0	-130.69	373.06	8.88	-121.81
CC1=C(CC(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003423355	1	47	-2.0	-107.67	382.69	6.17	-101.50
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300003423390	0	34	-2.0	-96.34	301.76	5.97	-90.37
COC1=C(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])NC(=O)[N-]C1=O	REAL300003423396	1	37	-2.0	-98.23	307.90	1.03	-97.20
CCOC1=CC(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300003423474	1	41	-2.0	-101.95	345.04	7.41	-94.54
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300003423477	0	44	-2.0	-135.67	370.22	8.05	-127.62
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@H]3CCCC[C@H]3C(=O)[O-])=N2)C=C1	REAL300003423482	0	45	-2.0	-128.50	368.25	6.39	-122.11
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])=CO1	REAL300003423493	1	38	-2.0	-98.26	329.96	1.61	-96.65
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300003423599	0	37	-2.0	-91.81	313.72	4.51	-87.30
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300003423599	1	37	-2.0	-91.81	313.81	4.52	-87.29
COCC1=NC=C(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])C(=O)[N-]1	REAL300003423810	1	39	-2.0	-113.91	319.01	3.03	-110.88
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300003423844	1	42	-2.0	-115.62	332.76	5.98	-109.64
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300003424039	0	34	-2.0	-108.57	308.60	8.44	-100.13
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC(C)C2=NC=C(C(=O)[O-])S2)=C1	REAL300003425040	0	40	-2.0	-94.01	370.86	3.12	-90.89
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(C)C1=NC=C(C(=O)[O-])S1	REAL300003425325	0	40	-2.0	-94.88	370.93	3.34	-91.54
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C)C2=NC=C(C(=O)[O-])S2)O1	REAL300003425764	1	34	-2.0	-89.92	341.90	-0.88	-90.80
CC(NC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)C1=NC=C(C(=O)[O-])S1	REAL300003426017	0	37	-2.0	-93.65	349.46	2.44	-91.21
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(C)C2=NC=C(C(=O)[O-])S2)=CS1	REAL300003426354	1	41	-2.0	-94.49	383.66	3.55	-90.94
CC(NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C1=NC=C(C(=O)[O-])S1	REAL300003426578	0	37	-2.0	-88.77	355.87	2.51	-86.26
CC1=C(CC(=O)NC(C)C2=NC=C(C(=O)[O-])S2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003426580	1	43	-2.0	-100.97	393.58	3.70	-97.27
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(C)C1=NC=C(C(=O)[O-])S1	REAL300003426583	0	43	-2.0	-95.30	392.43	4.13	-91.17
CC1=C(C(=O)NC(C)C2=NC=C(C(=O)[O-])S2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300003426666	1	43	-2.0	-93.88	373.78	3.92	-89.96
CC(NC(=O)C1=CC=C([O-])C(F)=C1)C1=NC=C(C(=O)[O-])S1	REAL300003427707	1	30	-2.0	-89.30	295.27	3.39	-85.91
CC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1=NC=C(C(=O)[O-])S1	REAL300003427719	1	33	-2.0	-92.79	325.60	5.91	-86.88
CC(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C1=NC=C(C(=O)[O-])S1	REAL300003427832	0	36	-2.0	-92.67	350.51	1.48	-91.19
CC(NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C1=NC=C(C(=O)[O-])S1	REAL300003427866	1	35	-2.0	-92.85	328.06	2.93	-89.92
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(C)C2=NC=C(C(=O)[O-])S2)=N1	REAL300003428017	0	40	-2.0	-102.01	377.58	5.62	-96.39
CC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1=NC=C(C(=O)[O-])S1	REAL300003428022	0	37	-2.0	-104.97	356.26	4.66	-100.31
CC(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=NC=C(C(=O)[O-])S1	REAL300003428063	1	35	-2.0	-103.79	329.41	5.54	-98.25
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(C)C3=NC=C(C(=O)[O-])S3)=N2)=C1	REAL300003428227	0	40	-2.0	-109.21	374.60	5.24	-103.97
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(C)C2=NC=C(C(=O)[O-])S2)=N1	REAL300003428228	0	43	-2.0	-106.44	383.96	6.40	-100.04
CC1=C(CC(=O)NC(C)C2=NC=C(C(=O)[O-])S2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003428305	1	43	-2.0	-99.80	393.77	3.69	-96.11
CC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=NC=C(C(=O)[O-])S1	REAL300003428367	0	30	-2.0	-86.05	311.26	3.95	-82.10
COC1=C(C(=O)NC(C)C2=NC=C(C(=O)[O-])S2)NC(=O)[N-]C1=O	REAL300003428384	1	33	-2.0	-89.05	317.43	-1.00	-90.05
CC(NC(=O)CCCC1=N[N-]N=N1)C1=NC=C(C(=O)[O-])S1	REAL300003428483	0	33	-2.0	-90.48	314.21	2.22	-88.26
CC(NC(=O)CCCC1=NN=N[N-]1)C1=NC=C(C(=O)[O-])S1	REAL300003428483	1	33	-2.0	-90.53	314.27	2.23	-88.30
CC(NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=NC=C(C(=O)[O-])S1	REAL300003428521	0	30	-2.0	-85.86	305.07	3.88	-81.98
CCOC1=CC(C(=O)NC(C)C2=NC=C(C(=O)[O-])S2)=CC(Cl)=C1[O-]	REAL300003428525	1	37	-2.0	-90.34	356.10	4.92	-85.42
COC1=CC=C(N2C=C([O-])C(C(=O)NC(C)C3=NC=C(C(=O)[O-])S3)=N2)C=C1	REAL300003428535	0	41	-2.0	-105.36	379.33	3.89	-101.47
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C)C2=NC=C(C(=O)[O-])S2)=CO1	REAL300003428559	1	34	-2.0	-89.84	341.02	-0.88	-90.72
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NC=C(C(=O)[O-])S1	REAL300003428722	0	33	-2.0	-83.43	324.81	2.01	-81.42
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NC=C(C(=O)[O-])S1	REAL300003428722	1	33	-2.0	-83.38	324.88	2.01	-81.37
COCC1=NC=C(C(=O)NC(C)C2=NC=C(C(=O)[O-])S2)C(=O)[N-]1	REAL300003429052	1	35	-2.0	-91.67	330.15	0.52	-91.15
CC(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1=NC=C(C(=O)[O-])S1	REAL300003429100	1	38	-2.0	-92.66	344.01	3.43	-89.23
CC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=NC=C(C(=O)[O-])S1	REAL300003429419	0	30	-2.0	-89.79	319.67	5.94	-83.85
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)=C1	REAL300003430644	0	48	-2.0	-130.73	380.69	6.07	-124.66
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1	REAL300003430943	0	48	-2.0	-131.58	380.66	6.33	-125.25
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)O1	REAL300003431401	1	51	-2.0	-105.34	403.08	5.16	-100.18
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)O1	REAL300003431402	1	42	-2.0	-94.13	349.13	2.32	-91.81
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1	REAL300003431663	0	45	-2.0	-129.71	359.29	5.40	-124.31
CC(C)C(=O)[N-]C1=NC(CC(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)=CS1	REAL300003432003	1	49	-2.0	-124.92	394.44	6.89	-118.03
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1	REAL300003432233	0	45	-2.0	-120.70	365.70	5.47	-115.23
CC1=C(CC(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003432235	1	51	-2.0	-111.52	403.85	6.90	-104.62
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1	REAL300003432238	0	51	-2.0	-132.36	402.16	7.12	-125.24
CC1=C(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300003432321	1	51	-2.0	-102.15	393.53	6.81	-95.34
O=C([O-])[C@]12CN(C(=O)C3=CC=C([O-])C(F)=C3)C[C@H]1CCCC2	REAL300003433379	1	38	-2.0	-107.86	302.63	6.44	-101.42
O=C([O-])[C@]12CN(C(=O)C3=CC=C(C(F)(F)F)C=C3[O-])C[C@H]1CCCC2	REAL300003433391	1	41	-2.0	-129.63	335.99	8.59	-121.04
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)C=N1	REAL300003433497	0	44	-2.0	-95.41	357.04	4.24	-91.17
O=C([O-])[C@]12CN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)C[C@H]1CCCC2	REAL300003433532	1	43	-2.0	-115.79	344.91	5.91	-109.88
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3C[C@H]4CCCC[C@@]4(C(=O)[O-])C3)=N2)=C1	REAL300003433590	0	54	-2.0	-141.58	417.65	10.18	-131.40
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3C[C@H]4CCCC[C@@]4(C(=O)[O-])C3)=N2)C=C1	REAL300003433591	0	54	-2.0	-136.20	418.68	10.06	-126.14
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)=N1	REAL300003433687	0	48	-2.0	-131.88	374.66	8.88	-123.00
O=C([O-])[C@]12CN(C(=O)C3=NN(C4=CC=CC(F)=C4)C=C3[O-])C[C@H]1CCCC2	REAL300003433692	0	45	-2.0	-137.62	363.81	8.33	-129.29
O=C([O-])[C@]12CN(C(=O)C3=C([O-])C4=CC=CC=C4C=N3)C[C@H]1CCCC2	REAL300003433734	1	43	-2.0	-114.93	336.26	9.17	-105.76
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3C[C@H]4CCCC[C@@]4(C(=O)[O-])C3)=N2)=C1	REAL300003433899	0	48	-2.0	-145.00	382.16	8.91	-136.09
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)=N1	REAL300003433900	0	51	-2.0	-139.23	385.60	9.41	-129.82
CC1=C(CC(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003433977	1	51	-2.0	-110.20	404.04	6.89	-103.31
O=C([O-])[C@]12CN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)C[C@H]1CCCC2	REAL300003434039	0	38	-2.0	-105.74	318.49	6.88	-98.86
COC1=C(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)NC(=O)[N-]C1=O	REAL300003434056	1	41	-2.0	-106.43	325.18	2.54	-103.89
O=C([O-])[C@]12CN(C(=O)CCCC3=N[N-]N=N3)C[C@H]1CCCC2	REAL300003434155	0	41	-2.0	-110.91	324.92	5.68	-105.23
O=C([O-])[C@]12CN(C(=O)CCCC3=NN=N[N-]3)C[C@H]1CCCC2	REAL300003434155	1	41	-2.0	-110.90	324.98	5.70	-105.20
O=C([O-])[C@]12CN(C(=O)C3=CC=C([O-])C(Cl)=C3)C[C@H]1CCCC2	REAL300003434192	0	38	-2.0	-108.38	312.43	6.90	-101.48
CCOC1=CC(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300003434196	1	45	-2.0	-111.24	363.34	7.86	-103.38
COC1=CC=C(N2C=C([O-])C(C(=O)N3C[C@H]4CCCC[C@@]4(C(=O)[O-])C3)=N2)C=C1	REAL300003434206	0	49	-2.0	-139.70	386.88	7.56	-132.14
C[N-]S(=O)(=O)C1=CC(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)=CO1	REAL300003434230	1	42	-2.0	-103.89	346.36	2.23	-101.66
O=C([O-])[C@]12CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C[C@H]1CCCC2	REAL300003434396	0	41	-2.0	-97.59	332.02	5.93	-91.66
O=C([O-])[C@]12CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C[C@H]1CCCC2	REAL300003434396	1	41	-2.0	-97.60	332.09	5.95	-91.65
COCC1=NC=C(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)C(=O)[N-]1	REAL300003434731	1	43	-2.0	-113.03	347.35	3.47	-109.56
O=C([O-])[C@]12CN(C(=O)C3=CN=C(C4CCC4)[N-]C3=O)C[C@H]1CCCC2	REAL300003434779	1	46	-2.0	-115.88	360.66	6.45	-109.43
O=C([O-])[C@]12CN(C(=O)C3=CC(Cl)=CC(Cl)=C3[O-])C[C@H]1CCCC2	REAL300003435101	0	38	-2.0	-124.24	330.07	8.62	-115.62
O=C([O-])C1=C(Br)C2=C(CN(C(=O)C3=CC=C([O-])C(F)=C3)C2)S1	REAL300003436551	1	29	-2.0	-87.10	293.69	5.95	-81.15
O=C([O-])C1=C(Br)C2=C(CN(C(=O)CCC3=N[N-]N=N3)C2)S1	REAL300003436606	0	29	-2.0	-84.87	297.09	4.52	-80.35
O=C([O-])C1=C(Br)C2=C(CN(C(=O)CCC3=NN=N[N-]3)C2)S1	REAL300003436606	1	29	-2.0	-84.86	297.15	4.53	-80.33
O=C([O-])C1=C(Br)C2=C(CN(C(=O)C3=CN=CC([O-])=C3)C2)S1	REAL300003436662	1	28	-2.0	-84.26	282.51	4.06	-80.20
O=C([O-])C1=C(Br)C2=C(CN(C(=O)CCCC3=N[N-]N=N3)C2)S1	REAL300003436890	0	32	-2.0	-93.78	318.59	5.30	-88.48
O=C([O-])C1=C(Br)C2=C(CN(C(=O)CCCC3=NN=N[N-]3)C2)S1	REAL300003436890	1	32	-2.0	-93.79	318.65	5.31	-88.48
O=C([O-])C1=C(Br)C2=C(CN(C(=O)C3=C[N-]N=CC3=O)C2)S1	REAL300003437062	0	27	-2.0	-83.69	286.89	4.63	-79.06
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)O1	REAL300003438383	1	45	-2.0	-97.14	367.45	-1.61	-98.75
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1	REAL300003438562	0	48	-2.0	-116.30	379.83	1.17	-115.13
CC1=C(C(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300003439053	1	54	-2.0	-122.66	410.81	2.52	-120.14
O=C([O-])C1(N2CCN(C(=O)C3=CC=C([O-])C(F)=C3)CC2)CCOC1	REAL300003439992	1	41	-2.0	-98.60	319.62	2.09	-96.51
O=C([O-])C1(N2CCN(C(=O)C3=CC=C(C(F)(F)F)C=C3[O-])CC2)CCOC1	REAL300003440006	1	44	-2.0	-118.33	356.69	3.77	-114.56
O=C([O-])C1(N2CCN(C(=O)CCC3=N[N-]N=N3)CC2)CCOC1	REAL300003440061	0	41	-2.0	-95.97	321.48	0.69	-95.28
O=C([O-])C1(N2CCN(C(=O)CCC3=NN=N[N-]3)CC2)CCOC1	REAL300003440061	1	41	-2.0	-95.97	321.54	0.70	-95.27
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)C=N1	REAL300003440133	0	47	-2.0	-108.07	377.00	0.33	-107.74
O=C([O-])C1(N2CCN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)CC2)CCOC1	REAL300003440163	1	46	-2.0	-120.42	363.07	1.74	-118.68
O=C([O-])C1(N2CCN(C(=O)C3=CN=CC([O-])=C3)CC2)CCOC1	REAL300003440195	1	40	-2.0	-93.33	308.39	0.21	-93.12
O=C([O-])C1(N2CCN(C(=O)C3=C([O-])C4=CC=CC=C4C=N3)CC2)CCOC1	REAL300003440338	1	46	-2.0	-123.56	355.37	5.21	-118.35
O=C([O-])C1(N2CCN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)CC2)CCOC1	REAL300003440617	0	41	-2.0	-97.10	337.85	2.77	-94.33
COC1=C(C(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)NC(=O)[N-]C1=O	REAL300003440636	1	44	-2.0	-102.51	352.14	-3.21	-105.72
O=C([O-])C1(N2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)CCOC1	REAL300003440728	0	44	-2.0	-102.17	342.98	1.47	-100.70
O=C([O-])C1(N2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)CCOC1	REAL300003440728	1	44	-2.0	-102.18	343.04	1.49	-100.69
O=C([O-])C1(N2CCN(C(=O)C3=CC=C([O-])C(Cl)=C3)CC2)CCOC1	REAL300003440762	0	41	-2.0	-95.08	329.42	2.58	-92.50
CCOC1=CC(C(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)=CC(Cl)=C1[O-]	REAL300003440765	1	48	-2.0	-101.48	382.68	3.74	-97.74
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)=CO1	REAL300003440796	1	45	-2.0	-92.22	365.03	-2.02	-94.24
O=C([O-])C1(N2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)CCOC1	REAL300003440944	0	44	-2.0	-91.06	350.45	1.74	-89.32
O=C([O-])C1(N2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)CCOC1	REAL300003440944	1	44	-2.0	-91.02	350.52	1.74	-89.28
O=C([O-])C1(N2CCN(C(=O)C3=C[N-]N=CC3=O)CC2)CCOC1	REAL300003441199	0	39	-2.0	-93.09	303.04	0.69	-92.40
COCC1=NC=C(C(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)C(=O)[N-]1	REAL300003441230	1	46	-2.0	-100.57	357.34	-0.78	-101.35
O=C([O-])C1(N2CCN(C(=O)C3=CN=C(C4CCC4)[N-]C3=O)CC2)CCOC1	REAL300003441272	1	49	-2.0	-100.69	372.66	2.21	-98.48
O=C([O-])C1(N2CCN(C(=O)C3=CC(Cl)=CC(Cl)=C3[O-])CC2)CCOC1	REAL300003441557	0	41	-2.0	-113.34	349.97	3.72	-109.62
CC1=C(CCC(=O)N(CC(=O)[O-])C2CC2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300003443950	1	48	-2.0	-114.35	382.44	7.25	-107.10
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C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=C(C)N(CCC(=O)[O-])N=C2C)O1	REAL300003468673	1	41	-2.0	-86.31	381.12	0.69	-85.62
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1	REAL300003469108	1	48	-2.0	-102.77	419.45	5.00	-97.77
COC1=CC=C(C(=O)NC2=C(C)N(CCC(=O)[O-])N=C2C)C([O-])=C1	REAL300003469728	1	41	-2.0	-106.42	352.26	5.64	-100.78
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)C1=CC=C([O-])C(F)=C1	REAL300003470176	1	37	-2.0	-89.80	329.96	4.80	-85.00
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300003470187	1	40	-2.0	-98.98	363.99	7.41	-91.57
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)CCC1=N[N-]N=N1	REAL300003470221	0	37	-2.0	-87.74	331.06	2.94	-84.80
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)CCC1=NN=N[N-]1	REAL300003470221	1	37	-2.0	-87.76	331.11	2.96	-84.80
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300003470290	0	43	-2.0	-92.22	386.39	2.93	-89.29
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300003470315	1	42	-2.0	-88.77	363.02	4.36	-84.41
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)C1=CN=CC([O-])=C1	REAL300003470350	1	36	-2.0	-92.50	322.47	3.00	-89.50
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300003470433	0	44	-2.0	-106.55	395.47	6.20	-100.35
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300003470464	0	42	-2.0	-109.04	365.35	6.97	-102.07
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=C(C)N(CCC(=O)[O-])N=C2C)=N1	REAL300003470601	0	50	-2.0	-108.18	415.69	7.85	-100.33
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300003470711	0	37	-2.0	-88.22	347.17	5.37	-82.85
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)CCCC1=N[N-]N=N1	REAL300003470801	0	40	-2.0	-96.68	352.56	3.72	-92.96
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)CCCC1=NN=N[N-]1	REAL300003470801	1	40	-2.0	-96.68	352.61	3.74	-92.94
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300003470833	0	37	-2.0	-86.64	339.78	5.29	-81.35
CCOC1=CC(C(=O)NC2=C(C)N(CCC(=O)[O-])N=C2C)=CC(Cl)=C1[O-]	REAL300003470836	1	44	-2.0	-91.75	392.02	6.35	-85.40
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=C(C)N(CCC(=O)[O-])N=C3C)=N2)C=C1	REAL300003470842	0	48	-2.0	-107.97	418.54	5.44	-102.53
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=C(C)N(CCC(=O)[O-])N=C2C)=CO1	REAL300003470858	1	41	-2.0	-94.10	375.74	0.54	-93.56
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300003470999	0	40	-2.0	-83.14	360.70	3.46	-79.68
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300003470999	1	40	-2.0	-83.20	360.82	3.47	-79.73
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)C1=C[N-]N=CC1=O	REAL300003471231	0	35	-2.0	-81.18	314.72	3.43	-77.75
COCC1=NC=C(C(=O)NC2=C(C)N(CCC(=O)[O-])N=C2C)C(=O)[N-]1	REAL300003471254	1	42	-2.0	-87.45	358.75	1.99	-85.46
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300003471297	1	45	-2.0	-88.80	378.78	4.91	-83.89
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300003471538	0	37	-2.0	-94.87	358.07	7.45	-87.42
CC(CC1=CC=C(Cl)C=C1)(NC(=O)C1=CC=C([O-])C(F)=C1)C(=O)[O-]	REAL300003474266	1	37	-2.0	-101.37	328.14	7.43	-93.94
CC(CC1=CC=C(Cl)C=C1)(NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL300003474320	0	37	-2.0	-98.25	325.60	5.47	-92.78
CC(CC1=CC=C(Cl)C=C1)(NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL300003474320	1	37	-2.0	-98.21	325.66	5.48	-92.73
CC(CC1=CC=C(Cl)C=C1)(NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C(=O)[O-]	REAL300003474384	1	42	-2.0	-109.43	361.15	6.97	-102.46
CC(CC1=CC=C(Cl)C=C1)(NC(=O)C1=CN=CC([O-])=C1)C(=O)[O-]	REAL300003474402	1	36	-2.0	-107.58	316.98	5.53	-102.05
CC(CC1=CC=C(Cl)C=C1)(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(=O)[O-]	REAL300003474489	1	42	-2.0	-136.02	362.27	9.13	-126.89
CC(CC1=CC=C(Cl)C=C1)(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300003474704	0	37	-2.0	-99.45	344.12	7.99	-91.46
COC1=C(C(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])NC(=O)[N-]C1=O	REAL300003474717	1	40	-2.0	-99.22	350.30	2.59	-96.63
CC(CC1=CC=C(Cl)C=C1)(NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL300003474784	0	40	-2.0	-107.57	347.09	6.25	-101.32
CC(CC1=CC=C(Cl)C=C1)(NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL300003474784	1	40	-2.0	-107.56	347.15	6.26	-101.30
CC(CC1=CC=C(Cl)C=C1)(NC(=O)C1=CC=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300003474811	0	37	-2.0	-99.31	337.94	7.92	-91.39
CC(CC1=CC=C(Cl)C=C1)(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300003474933	0	40	-2.0	-90.84	357.67	6.08	-84.76
CC(CC1=CC=C(Cl)C=C1)(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300003474933	1	40	-2.0	-90.83	357.75	6.08	-84.75
CC(CC1=CC=C(Cl)C=C1)(NC(=O)C1=C[N-]N=CC1=O)C(=O)[O-]	REAL300003475102	0	35	-2.0	-99.41	309.21	5.97	-93.44
COCC1=NC=C(C(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])C(=O)[N-]1	REAL300003475122	1	42	-2.0	-108.58	362.98	4.62	-103.96
CC(CC1=CC=C(Cl)C=C1)(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(=O)[O-]	REAL300003475157	1	45	-2.0	-109.50	376.91	7.51	-101.99
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2(C(=O)[O-])CCCOC2)=C1	REAL300003476906	0	45	-2.0	-105.49	368.78	3.18	-102.31
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1(C(=O)[O-])CCCOC1	REAL300003477215	0	45	-2.0	-106.08	368.85	3.39	-102.69
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC2(C(=O)[O-])CCCOC2)C=C1	REAL300003477262	1	47	-2.0	-105.48	393.88	8.65	-96.83
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2(C(=O)[O-])CCCOC2)O1	REAL300003477698	1	48	-2.0	-99.46	393.45	1.74	-97.72
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2(C(=O)[O-])CCCOC2)O1	REAL300003477699	1	39	-2.0	-98.82	339.48	-1.05	-99.87
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1(C(=O)[O-])CCCOC1	REAL300003477972	0	42	-2.0	-104.63	347.39	2.50	-102.13
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC2(C(=O)[O-])CCCOC2)=CS1	REAL300003478323	1	46	-2.0	-98.92	381.54	3.60	-95.32
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCC1(C(=O)[O-])CCCOC1	REAL300003478561	0	42	-2.0	-101.82	356.67	2.84	-98.98
CC1=C(CC(=O)NCC2(C(=O)[O-])CCCOC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003478564	1	48	-2.0	-117.17	394.41	4.03	-113.14
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1(C(=O)[O-])CCCOC1	REAL300003478567	0	48	-2.0	-106.59	390.35	4.19	-102.40
CC1=C(C(=O)NCC2(C(=O)[O-])CCCOC2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300003478648	1	48	-2.0	-115.04	372.20	4.00	-111.04
O=C([O-])C1(CNC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CCCOC1	REAL300003479681	1	38	-2.0	-106.46	326.39	6.25	-100.21
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC2(C(=O)[O-])CCCOC2)C=N1	REAL300003479789	0	41	-2.0	-101.98	348.43	1.51	-100.47
O=C([O-])C1(CNC(=O)C2=CN=C(C3CC3)[N-]C2=O)CCCOC1	REAL300003479823	1	40	-2.0	-112.71	326.25	2.93	-109.78
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCC3(C(=O)[O-])CCCOC3)=N2)=C1	REAL300003479882	0	51	-2.0	-126.83	410.90	6.85	-119.98
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC3(C(=O)[O-])CCCOC3)=N2)C=C1	REAL300003479883	0	51	-2.0	-122.28	407.96	6.59	-115.69
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC2(C(=O)[O-])CCCOC2)=N1	REAL300003479974	0	45	-2.0	-119.79	378.13	5.92	-113.87
O=C([O-])C1(CNC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CCCOC1	REAL300003479979	0	42	-2.0	-119.67	357.05	4.99	-114.68
O=C([O-])C1(CNC(=O)C2=C([O-])C3=CC=CC=C3C=N2)CCCOC1	REAL300003480011	1	40	-2.0	-122.98	327.33	5.61	-117.37
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC3(C(=O)[O-])CCCOC3)=N2)=C1	REAL300003480170	0	45	-2.0	-127.68	375.39	5.58	-122.10
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC2(C(=O)[O-])CCCOC2)=N1	REAL300003480171	0	48	-2.0	-126.28	391.79	6.68	-119.60
CC1=C(CC(=O)NCC2(C(=O)[O-])CCCOC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003480242	1	48	-2.0	-115.87	394.59	4.02	-111.85
O=C([O-])C1(CNC(=O)C2=CC(F)=C([O-])C(Cl)=C2)CCCOC1	REAL300003480294	0	35	-2.0	-92.22	309.20	3.98	-88.24
COC1=C(C(=O)NCC2(C(=O)[O-])CCCOC2)NC(=O)[N-]C1=O	REAL300003480307	1	38	-2.0	-99.62	318.01	-0.66	-100.28
O=C([O-])C1(CNC(=O)C2=CC=C([O-])C(Cl)=C2)CCCOC1	REAL300003480436	0	35	-2.0	-93.23	303.00	3.92	-89.31
CCOC1=CC(C(=O)NCC2(C(=O)[O-])CCCOC2)=CC(Cl)=C1[O-]	REAL300003480439	1	42	-2.0	-97.69	354.04	4.95	-92.74
COC1=CC=C(N2C=C([O-])C(C(=O)NCC3(C(=O)[O-])CCCOC3)=N2)C=C1	REAL300003480451	0	46	-2.0	-123.72	380.12	4.23	-119.49
C[N-]S(=O)(=O)C1=CC(C(=O)NCC2(C(=O)[O-])CCCOC2)=CO1	REAL300003480474	1	39	-2.0	-92.64	338.97	-0.83	-93.47
O=C([O-])C1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCCOC1	REAL300003480630	0	38	-2.0	-88.69	322.74	2.08	-86.61
O=C([O-])C1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCCOC1	REAL300003480630	1	38	-2.0	-88.67	322.80	2.08	-86.59
COCC1=NC=C(C(=O)NCC2(C(=O)[O-])CCCOC2)C(=O)[N-]1	REAL300003480947	1	40	-2.0	-115.98	331.06	0.89	-115.09
O=C([O-])C1(CNC(=O)C2=CN=C(C3CCC3)[N-]C2=O)CCCOC1	REAL300003480991	1	43	-2.0	-112.88	342.00	3.49	-109.39
O=C([O-])C1(CNC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCCOC1	REAL300003481293	0	35	-2.0	-104.30	320.46	6.29	-98.01
CC1=C(C(=O)NCC2(C(=O)[O-])CCCOC2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300003481592	0	43	-2.0	-122.57	354.67	3.38	-119.19
CC1=C(CCC(=O)NCC2=CC(C(=O)[O-])=CO2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300003482136	1	48	-2.0	-100.72	405.12	5.35	-95.37
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2=CC(C(=O)[O-])=CO2)=C1	REAL300003482496	0	38	-2.0	-97.97	347.27	3.17	-94.80
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=CC(C(=O)[O-])=CO1	REAL300003482809	0	38	-2.0	-98.89	347.34	3.40	-95.49
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC2=CC(C(=O)[O-])=CO2)C=C1	REAL300003482858	1	40	-2.0	-106.27	369.70	8.32	-97.95
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=CC(C(=O)[O-])=CO2)O1	REAL300003483308	1	41	-2.0	-94.70	373.77	1.60	-93.10
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=CC(C(=O)[O-])=CO2)O1	REAL300003483309	1	32	-2.0	-94.24	318.32	-0.81	-95.05
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2=CC(C(=O)[O-])=CO2)=C1	REAL300003483542	0	42	-2.0	-104.23	381.97	1.39	-102.84
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=CC(C(=O)[O-])=CO1	REAL300003483587	0	35	-2.0	-97.60	325.88	2.50	-95.10
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC2=CC(C(=O)[O-])=CO2)=CS1	REAL300003483962	1	39	-2.0	-97.68	360.08	3.60	-94.08
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCC1=CC(C(=O)[O-])=CO1	REAL300003484196	0	35	-2.0	-92.88	332.29	2.56	-90.32
CC1=C(CC(=O)NCC2=CC(C(=O)[O-])=CO2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003484202	1	41	-2.0	-102.51	370.00	3.76	-98.75
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=CC(C(=O)[O-])=CO1	REAL300003484207	0	41	-2.0	-99.38	368.84	4.18	-95.20
CC1=C(C(=O)NCC2=CC(C(=O)[O-])=CO2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300003484277	1	41	-2.0	-97.87	350.23	3.97	-93.90
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NCC1=CC(C(=O)[O-])=CO1	REAL300003485006	0	41	-2.0	-102.13	371.76	4.75	-97.38
O=C([O-])C1=COC(CNC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])=C1	REAL300003485198	1	31	-2.0	-96.93	302.03	5.98	-90.95
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC2=CC(C(=O)[O-])=CO2)C=N1	REAL300003485296	0	34	-2.0	-96.99	326.93	1.52	-95.47
O=C([O-])C1=COC(CNC(=O)C2=CN=C(C3CC3)[N-]C2=O)=C1	REAL300003485326	1	33	-2.0	-96.39	304.74	2.93	-93.46
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCC3=CC(C(=O)[O-])=CO3)=N2)=C1	REAL300003485381	0	44	-2.0	-110.59	386.53	6.56	-104.03
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC3=CC(C(=O)[O-])=CO3)=N2)C=C1	REAL300003485382	0	44	-2.0	-109.12	386.46	6.57	-102.55
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC2=CC(C(=O)[O-])=CO2)=N1	REAL300003485456	0	38	-2.0	-105.66	353.98	5.67	-99.99
O=C([O-])C1=COC(CNC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])=C1	REAL300003485460	0	35	-2.0	-106.64	332.67	4.71	-101.93
O=C([O-])C1=COC(CNC(=O)C2=C([O-])C3=CC=CC=C3C=N2)=C1	REAL300003485484	1	33	-2.0	-107.81	305.83	5.59	-102.22
O=C([O-])C1=COC(CNC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)=C1	REAL300003485503	0	35	-2.0	-85.52	348.15	2.81	-82.71
O=C([O-])C1=COC(CNC(=O)C2=CN=C(I)C([O-])=C2)=C1	REAL300003485552	0	27	-2.0	-89.23	287.39	2.55	-86.68
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC3=CC(C(=O)[O-])=CO3)=N2)=C1	REAL300003485614	0	38	-2.0	-112.95	351.02	5.29	-107.66
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC2=CC(C(=O)[O-])=CO2)=N1	REAL300003485615	0	41	-2.0	-111.45	367.51	6.38	-105.07
CC1=C(CC(=O)NCC2=CC(C(=O)[O-])=CO2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003485672	1	41	-2.0	-101.12	370.19	3.75	-97.37
O=C([O-])C1=COC(CNC(=O)C2=CC(F)=C([O-])C(Cl)=C2)=C1	REAL300003485712	0	28	-2.0	-90.29	287.70	3.98	-86.31
COC1=C(C(=O)NCC2=CC(C(=O)[O-])=CO2)NC(=O)[N-]C1=O	REAL300003485720	1	31	-2.0	-93.52	293.84	-0.92	-94.44
CCOC1=CC(C(=O)NCC2=CC(C(=O)[O-])=CO2)=CC(Cl)=C1[O-]	REAL300003485824	1	35	-2.0	-94.56	332.54	4.95	-89.61
O=C([O-])C1=COC(CNC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])=C1	REAL300003485828	0	38	-2.0	-114.19	356.16	6.08	-108.11
COC1=CC=C(N2C=C([O-])C(C(=O)NCC3=CC(C(=O)[O-])=CO3)=N2)C=C1	REAL300003485836	0	39	-2.0	-109.27	355.74	3.94	-105.33
C[N-]S(=O)(=O)C1=CC(C(=O)NCC2=CC(C(=O)[O-])=CO2)=CO1	REAL300003485857	1	32	-2.0	-94.26	317.46	-0.84	-95.10
O=C([O-])C1=COC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300003485983	0	31	-2.0	-87.48	301.23	2.07	-85.41
O=C([O-])C1=COC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300003485983	1	31	-2.0	-87.49	301.30	2.07	-85.42
COCC1=NC=C(C(=O)NCC2=CC(C(=O)[O-])=CO2)C(=O)[N-]1	REAL300003486249	1	33	-2.0	-95.55	306.58	0.58	-94.97
O=C([O-])C1=COC(CNC(=O)C2=CN=C(C3CCC3)[N-]C2=O)=C1	REAL300003486286	1	36	-2.0	-96.45	320.49	3.48	-92.97
O=C([O-])C1=COC(CNC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=C1	REAL300003486542	0	28	-2.0	-93.97	296.09	6.01	-87.96
CC1=C(C(=O)NCC2=CC(C(=O)[O-])=CO2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300003486799	0	36	-2.0	-101.02	330.90	3.07	-97.95
O=C([O-])C1CN(C(=O)C2=N[N-]C3=CC=CC=C3C2=O)CC2=CC=CC=C21	REAL300003491965	0	39	-2.0	-110.29	329.48	9.26	-101.03
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)=C1	REAL300003492170	0	45	-2.0	-110.66	375.77	6.49	-104.17
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300003492439	0	45	-2.0	-111.72	376.69	6.74	-104.98
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)O1	REAL300003492861	1	39	-2.0	-98.19	342.40	4.02	-94.17
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300003493104	0	42	-2.0	-113.58	357.70	5.86	-107.72
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)=CS1	REAL300003493438	1	46	-2.0	-126.97	387.40	8.23	-118.74
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300003493654	0	42	-2.0	-105.52	364.01	5.94	-99.58
CC1=C(C(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300003493741	1	48	-2.0	-136.19	387.15	8.18	-128.01
O=C([O-])C1CN(C(=O)C2=CC=C([O-])C(F)=C2)CC2=CC=CC=C21	REAL300003494786	1	35	-2.0	-110.89	296.87	7.79	-103.10
O=C([O-])C1CN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CC2=CC=CC=C21	REAL300003494799	1	38	-2.0	-112.48	331.26	8.74	-103.74
O=C([O-])C1CN(C(=O)CCC2=N[N-]N=N2)CC2=CC=CC=C21	REAL300003494833	0	35	-2.0	-103.31	296.47	6.15	-97.16
O=C([O-])C1CN(C(=O)CCC2=NN=N[N-]2)CC2=CC=CC=C21	REAL300003494833	1	35	-2.0	-103.28	296.53	6.16	-97.12
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)C=N1	REAL300003494922	0	41	-2.0	-104.95	355.14	5.02	-99.93
O=C([O-])C1CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)CC2=CC=CC=C21	REAL300003494957	1	40	-2.0	-113.57	340.97	6.42	-107.15
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)=N1	REAL300003495111	0	45	-2.0	-121.55	380.85	9.77	-111.78
O=C([O-])C1CN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CC2=CC=CC=C21	REAL300003495116	0	42	-2.0	-140.75	356.69	9.75	-131.00
O=C([O-])C1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)CC2=CC=CC=C21	REAL300003495158	1	40	-2.0	-144.16	329.68	10.39	-133.77
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CC4=CC=CC=C4C(C(=O)[O-])C3)=N2)=C1	REAL300003495325	0	45	-2.0	-147.77	375.06	10.34	-137.43
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)=N1	REAL300003495326	0	48	-2.0	-146.29	388.61	11.23	-135.06
O=C([O-])C1CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)CC2=CC=CC=C21	REAL300003495465	0	35	-2.0	-94.00	316.13	7.46	-86.54
COC1=C(C(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)NC(=O)[N-]C1=O	REAL300003495482	1	38	-2.0	-102.28	327.25	2.38	-99.90
O=C([O-])C1CN(C(=O)CCCC2=N[N-]N=N2)CC2=CC=CC=C21	REAL300003495582	0	38	-2.0	-113.81	317.95	6.93	-106.88
O=C([O-])C1CN(C(=O)CCCC2=NN=N[N-]2)CC2=CC=CC=C21	REAL300003495582	1	38	-2.0	-113.79	318.01	6.95	-106.84
O=C([O-])C1CN(C(=O)C2=CC=C([O-])C(Cl)=C2)CC2=CC=CC=C21	REAL300003495621	0	35	-2.0	-96.34	311.11	7.42	-88.92
CCOC1=CC(C(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300003495625	1	42	-2.0	-99.65	361.04	8.47	-91.18
COC1=CC=C(N2C=C([O-])C(C(=O)N3CC4=CC=CC=C4C(C(=O)[O-])C3)=N2)C=C1	REAL300003495634	0	46	-2.0	-141.82	379.76	8.99	-132.83
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)=CO1	REAL300003495658	1	39	-2.0	-102.33	343.81	2.80	-99.53
CC1=C(C(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)C2=C([N-]C=NC2=O)O1	REAL300003495761	0	39	-2.0	-113.89	338.70	4.78	-109.11
O=C([O-])C1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC2=CC=CC=C21	REAL300003495820	0	38	-2.0	-89.53	328.14	6.42	-83.11
O=C([O-])C1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC2=CC=CC=C21	REAL300003495820	1	38	-2.0	-89.53	328.20	6.43	-83.10
COCC1=NC=C(C(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)C(=O)[N-]1	REAL300003496156	1	40	-2.0	-101.36	335.30	3.92	-97.44
O=C([O-])C1CN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)CC2=CC=CC=C21	REAL300003496205	1	43	-2.0	-113.03	356.83	6.97	-106.06
O=C([O-])C1CN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC2=CC=CC=C21	REAL300003496531	0	35	-2.0	-107.98	325.31	8.81	-99.17
CCC(CC)(CNC(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O)C(=O)[O-]	REAL300003498369	1	56	-2.0	-101.65	429.88	6.69	-94.96
CCC(CC)(CNC(=O)C1=CC(C)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300003498724	0	46	-2.0	-104.33	367.33	4.67	-99.66
CCC(CC)(CNC(=O)C1=CC=CC=C1[N-]S(=O)(=O)CC)C(=O)[O-]	REAL300003499034	0	46	-2.0	-106.20	372.11	4.73	-101.47
CCC(CC)(CNC(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1)C(=O)[O-]	REAL300003499084	1	48	-2.0	-103.43	394.10	9.64	-93.79
CCC(CC)(CNC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300003499536	1	49	-2.0	-101.41	396.36	3.25	-98.16
CCC(CC)(CNC(=O)C1=CC=C(S(=O)(=O)[N-]C)O1)C(=O)[O-]	REAL300003499537	1	40	-2.0	-100.81	343.09	0.53	-100.28
CCC(CC)(CNC(=O)C1=CC(NC(C)=O)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300003499768	0	50	-2.0	-114.93	405.91	2.95	-111.98
CCC(CC)(CNC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300003499814	0	43	-2.0	-104.63	348.47	4.14	-100.49
CCC(CC)(CNC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1)C(=O)[O-]	REAL300003500186	1	47	-2.0	-99.68	384.82	4.93	-94.75
CCC(CC)(CNC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300003500423	0	43	-2.0	-99.72	357.05	3.90	-95.82
CCC(CC)(CNC(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O)C(=O)[O-]	REAL300003500426	1	49	-2.0	-104.93	393.03	5.46	-99.47
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(CC)(CC)C(=O)[O-]	REAL300003500429	0	49	-2.0	-106.49	391.44	5.83	-100.66
CCC(CC)(CNC(=O)C1=C(C)N=C(C(C)(C)C)[N-]C1=O)C(=O)[O-]	REAL300003500500	1	49	-2.0	-114.93	370.61	5.61	-109.32
CCC(CC)(CNC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300003501264	0	49	-2.0	-107.56	391.82	6.24	-101.32
CCC(CC)(CNC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300003501458	1	39	-2.0	-103.83	322.08	7.47	-96.36
CCC(CC)(CNC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300003501559	0	42	-2.0	-101.52	346.99	3.01	-98.51
CCC(CC)(CNC(=O)C1=CN=C(C2CC2)[N-]C1=O)C(=O)[O-]	REAL300003501589	1	41	-2.0	-112.93	325.33	4.53	-108.40
CCC(CC)(CNC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-])C(=O)[O-]	REAL300003501643	0	52	-2.0	-125.18	411.29	7.91	-117.27
CCC(CC)(CNC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])C(=O)[O-]	REAL300003501644	0	52	-2.0	-122.38	411.22	7.92	-114.46
CCC(CC)(CNC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-])C(=O)[O-]	REAL300003501722	0	46	-2.0	-118.27	378.76	7.01	-111.26
CCC(CC)(CNC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300003501727	0	43	-2.0	-117.32	352.73	6.21	-111.11
CCC(CC)(CNC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(=O)[O-]	REAL300003501753	1	41	-2.0	-122.90	330.60	6.93	-115.97
CCC(CC)(CNC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300003501773	0	43	-2.0	-86.33	368.21	4.32	-82.01
CCC(CC)(CNC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300003501822	0	35	-2.0	-92.75	312.15	3.88	-88.87
CCC(CC)(CNC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-])C(=O)[O-]	REAL300003501887	0	46	-2.0	-125.29	371.07	6.80	-118.49
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC(CC)(CC)C(=O)[O-])=N1	REAL300003501888	0	49	-2.0	-123.73	387.59	7.87	-115.86
CCC(CC)(CNC(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O)C(=O)[O-]	REAL300003501948	1	49	-2.0	-104.46	394.96	5.08	-99.38
CCC(CC)(CNC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300003501993	0	36	-2.0	-93.15	312.46	5.33	-87.82
CCC(CC)(CNC(=O)C1=C(OC)C(=O)[N-]C(=O)N1)C(=O)[O-]	REAL300003502001	1	39	-2.0	-95.95	318.61	0.40	-95.55
CCOC1=CC(C(=O)NCC(CC)(CC)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300003502107	1	43	-2.0	-98.67	355.13	6.61	-92.06
CCC(CC)(CNC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300003502111	0	46	-2.0	-130.24	380.93	7.43	-122.81
CCC(CC)(CNC(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-])C(=O)[O-]	REAL300003502119	0	47	-2.0	-122.08	378.33	5.59	-116.49
CCC(CC)(CNC(=O)C1=COC(S(=O)(=O)[N-]C)=C1)C(=O)[O-]	REAL300003502139	1	40	-2.0	-93.23	340.05	0.81	-92.42
CCC(CC)(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300003502270	0	39	-2.0	-90.77	326.00	3.40	-87.37
CCC(CC)(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300003502270	1	39	-2.0	-90.75	326.06	3.41	-87.34
CCC(CC)(CNC(=O)C1=CN=C(COC)[N-]C1=O)C(=O)[O-]	REAL300003502547	1	41	-2.0	-112.38	331.35	1.91	-110.47
CCC(CC)(CNC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(=O)[O-]	REAL300003502588	1	44	-2.0	-112.12	340.55	4.97	-107.15
CCC(CC)(CNC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300003502848	0	36	-2.0	-102.46	320.85	7.34	-95.12
CCC(CC)(CNC(=O)C1=C(C)N=C(C2=CC=CO2)[N-]C1=O)C(=O)[O-]	REAL300003503108	0	44	-2.0	-118.98	354.96	4.40	-114.58
CC1=C(CCC(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(=O)NC(N2CCOCC2)=N1	REAL300003503547	0	51	-2.0	-111.72	403.05	6.69	-105.03
CC1=C(CCC(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300003503547	1	51	-2.0	-111.72	403.05	6.69	-105.03
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300003504076	1	43	-2.0	-112.69	366.00	9.53	-103.16
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300003504223	1	45	-2.0	-109.02	384.37	6.70	-102.32
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300003504224	1	45	-2.0	-118.07	384.82	6.95	-111.12
CC1=CC(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300003504235	0	41	-2.0	-98.50	365.02	5.10	-93.40
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300003504419	0	42	-2.0	-113.42	375.57	5.74	-107.68
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])O1	REAL300003504436	1	44	-2.0	-107.90	371.06	3.11	-104.79
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])O1	REAL300003504437	1	35	-2.0	-106.27	315.61	0.69	-105.58
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300003504665	0	42	-2.0	-116.00	376.75	5.96	-110.04
CC(C)C(=O)[N-]C1=NC(CC(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CS1	REAL300003504919	1	42	-2.0	-111.70	357.20	5.11	-106.59
CC1=C(CC(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003505091	1	44	-2.0	-106.80	368.02	5.07	-101.73
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300003505220	1	45	-2.0	-96.98	384.55	6.69	-90.29
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300003505752	1	34	-2.0	-106.04	300.07	7.23	-98.81
CS(=O)(=O)[N-]C1=CC=C(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=N1	REAL300003505818	0	37	-2.0	-112.13	324.06	3.05	-109.08
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300003505863	1	44	-2.0	-92.80	379.59	4.91	-87.89
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N[C@H]3CCC[C@H]3C(=O)[O-])=N2)=C1	REAL300003505877	0	47	-2.0	-143.82	383.61	8.09	-135.73
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N[C@H]3CCC[C@H]3C(=O)[O-])=N2)C=C1	REAL300003505878	0	47	-2.0	-141.65	383.60	8.09	-133.56
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=N1	REAL300003505925	0	41	-2.0	-121.41	352.18	6.95	-114.46
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300003505929	0	38	-2.0	-140.36	329.81	6.24	-134.12
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300003505944	1	36	-2.0	-142.01	303.11	7.07	-134.94
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300003505960	0	38	-2.0	-100.71	346.36	4.39	-96.32
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=CN=C(I)C([O-])=C1	REAL300003505990	0	30	-2.0	-105.84	285.56	4.12	-101.72
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@H]3CCC[C@H]3C(=O)[O-])=N2)=C1	REAL300003506022	0	41	-2.0	-146.48	348.16	6.82	-139.66
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=N1	REAL300003506023	0	44	-2.0	-128.89	365.61	7.67	-121.22
CC1=C(CC(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003506048	1	44	-2.0	-113.23	367.39	5.34	-107.89
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300003506073	0	31	-2.0	-103.33	284.86	5.50	-97.83
CCOC1=CC(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300003506131	1	38	-2.0	-109.54	329.68	6.47	-103.07
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300003506134	0	41	-2.0	-147.48	353.31	7.61	-139.87
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@H]3CCC[C@H]3C(=O)[O-])=N2)C=C1	REAL300003506138	0	42	-2.0	-140.88	352.88	5.47	-135.41
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CO1	REAL300003506148	1	35	-2.0	-90.63	312.67	0.53	-90.10
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300003506242	0	34	-2.0	-91.03	296.43	3.44	-87.59
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300003506242	1	34	-2.0	-91.00	296.50	3.44	-87.56
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300003506441	1	39	-2.0	-118.78	318.04	4.95	-113.83
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300003506594	0	31	-2.0	-119.76	293.23	7.52	-112.24
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)O1	REAL300003508865	1	40	-2.0	-105.07	368.65	3.00	-102.07
CC(NC(=O)C1=CC=C([O-])C(F)=C1)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300003510021	1	36	-2.0	-103.75	322.04	7.21	-96.54
CC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300003510034	1	39	-2.0	-123.55	352.37	9.32	-114.23
CC(NC(=O)CCC1=N[N-]N=N1)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300003510078	0	36	-2.0	-101.22	319.49	5.27	-95.95
CC(NC(=O)CCC1=NN=N[N-]1)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300003510078	1	36	-2.0	-101.23	319.55	5.29	-95.94
CC(NC(=O)C1=CN=C(C2CC2)[N-]C1=O)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300003510146	1	41	-2.0	-121.27	355.02	6.75	-114.52
CC(NC(=O)C1=CN=CC([O-])=C1)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300003510168	1	35	-2.0	-110.37	310.88	5.34	-105.03
CC(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300003510261	1	41	-2.0	-140.69	356.17	8.94	-131.75
CC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300003510486	0	36	-2.0	-101.91	338.04	7.77	-94.14
COC1=C(C(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)NC(=O)[N-]C1=O	REAL300003510499	1	39	-2.0	-104.08	344.05	2.42	-101.66
CC(NC(=O)CCCC1=N[N-]N=N1)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300003510568	0	39	-2.0	-112.25	341.00	6.04	-106.21
CC(NC(=O)CCCC1=NN=N[N-]1)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300003510568	1	39	-2.0	-112.25	341.05	6.06	-106.19
CC(NC(=O)C1=CC=C([O-])C(Cl)=C1)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300003510596	0	36	-2.0	-101.77	331.83	7.71	-94.06
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)=CO1	REAL300003510616	1	40	-2.0	-109.62	367.80	2.98	-106.64
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300003510725	0	39	-2.0	-96.05	351.57	5.86	-90.19
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300003510725	1	39	-2.0	-96.08	351.64	5.86	-90.22
CC(NC(=O)C1=C[N-]N=CC1=O)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300003510906	0	34	-2.0	-109.33	303.09	5.77	-103.56
COCC1=NC=C(C(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)C(=O)[N-]1	REAL300003510927	1	41	-2.0	-119.94	356.87	4.41	-115.53
CC(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300003510963	1	44	-2.0	-121.46	370.78	7.31	-114.15
CC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300003511155	0	36	-2.0	-121.08	346.42	9.36	-111.72
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300003512313	0	44	-2.0	-93.08	382.44	1.52	-91.56
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-]	REAL300003512621	0	44	-2.0	-93.86	382.51	1.73	-92.13
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C=C1	REAL300003512668	1	46	-2.0	-99.80	404.56	6.69	-93.11
C[C@H](NC(=O)[C@H](C)NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300003513107	1	47	-2.0	-88.29	408.26	-0.03	-88.32
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])O1	REAL300003513108	1	38	-2.0	-87.70	353.50	-2.47	-90.17
C[C@H](NC(=O)[C@H](C)NC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300003513378	0	41	-2.0	-92.60	361.05	0.83	-91.77
CC(C)C(=O)[N-]C1=NC(CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])=CS1	REAL300003513731	1	45	-2.0	-91.86	394.75	2.00	-89.86
C[C@H](NC(=O)[C@H](C)NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300003513968	0	41	-2.0	-87.53	367.46	0.91	-86.62
CC1=C(CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003513971	1	47	-2.0	-97.20	404.86	2.13	-95.07
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-]	REAL300003513974	0	47	-2.0	-94.28	404.01	2.52	-91.76
CC1=C(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300003514057	1	47	-2.0	-93.47	385.31	2.40	-91.07
C[C@H](NC(=O)[C@H](C)NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300003515100	1	37	-2.0	-91.80	336.87	4.34	-87.46
C[C@H](NC(=O)[C@H](C)NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300003515208	0	40	-2.0	-90.34	361.78	-0.08	-90.42
C[C@H](NC(=O)[C@H](C)NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C(=O)[O-]	REAL300003515243	1	39	-2.0	-92.43	339.33	1.37	-91.06
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])=N2)=C1	REAL300003515302	0	50	-2.0	-106.51	421.69	4.91	-101.60
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])=N2)C=C1	REAL300003515303	0	50	-2.0	-104.51	421.15	4.96	-99.55
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])=N1	REAL300003515395	0	44	-2.0	-101.76	389.18	4.01	-97.75
C[C@H](NC(=O)[C@H](C)NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300003515400	0	41	-2.0	-102.18	367.53	3.09	-99.09
C[C@H](NC(=O)[C@H](C)NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(=O)[O-]	REAL300003515433	1	39	-2.0	-103.57	340.52	3.97	-99.60
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])=N2)=C1	REAL300003515592	0	44	-2.0	-108.70	385.87	3.67	-105.03
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])=N1	REAL300003515593	0	47	-2.0	-105.94	395.39	4.81	-101.13
CC1=C(CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003515665	1	47	-2.0	-95.88	405.05	2.12	-93.76
C[C@H](NC(=O)[C@H](C)NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300003515719	0	34	-2.0	-83.44	322.39	2.39	-81.05
COC1=C(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])NC(=O)[N-]C1=O	REAL300003515733	1	37	-2.0	-86.83	329.02	-2.61	-89.44
C[C@H](NC(=O)[C@H](C)NC(=O)C1=CC=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300003515863	0	34	-2.0	-83.62	316.34	2.31	-81.31
CCOC1=CC(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300003515866	1	41	-2.0	-87.88	367.23	3.36	-84.52
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])=N2)C=C1	REAL300003515878	0	45	-2.0	-104.69	390.60	2.32	-102.37
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])=CO1	REAL300003515902	1	38	-2.0	-87.34	352.31	-2.46	-89.80
C[C@H](NC(=O)[C@H](C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300003516059	0	37	-2.0	-80.78	336.09	0.43	-80.35
C[C@H](NC(=O)[C@H](C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300003516059	1	37	-2.0	-80.74	336.15	0.46	-80.28
COCC1=NC=C(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C(=O)[N-]1	REAL300003516381	1	39	-2.0	-91.11	341.20	-1.02	-92.13
C[C@H](NC(=O)[C@H](C)NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(=O)[O-]	REAL300003516426	1	42	-2.0	-92.05	355.12	1.88	-90.17
C[C@H](NC(=O)[C@H](C)NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300003516728	0	34	-2.0	-88.83	330.94	4.38	-84.45
CC1=C(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300003517028	0	42	-2.0	-96.50	365.51	1.48	-95.02
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300003518144	1	45	-2.0	-103.16	388.51	7.01	-96.15
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300003518413	1	45	-2.0	-101.34	388.88	7.22	-94.12
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)O1	REAL300003518835	1	39	-2.0	-88.51	359.57	3.03	-85.48
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300003519078	0	42	-2.0	-102.87	367.12	6.33	-96.54
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=CS1	REAL300003519412	1	46	-2.0	-106.34	401.61	7.42	-98.92
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300003519628	0	42	-2.0	-96.48	373.53	6.40	-90.08
CC1=C(C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300003519715	1	48	-2.0	-90.65	391.26	7.84	-82.81
COC1=CC=C(C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C([O-])=C1	REAL300003520207	1	39	-2.0	-112.55	333.97	8.00	-104.55
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2=CC=C([O-])C(F)=C2)C=C1	REAL300003520760	1	35	-2.0	-95.49	313.22	7.24	-88.25
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C=C1	REAL300003520773	1	38	-2.0	-100.62	343.55	9.70	-90.92
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300003520807	0	35	-2.0	-91.83	310.66	5.32	-86.51
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300003520807	1	35	-2.0	-91.84	310.72	5.33	-86.51
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=N1	REAL300003520896	0	41	-2.0	-94.91	368.17	5.36	-89.55
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)C=C1	REAL300003520931	1	40	-2.0	-91.03	346.40	6.76	-84.27
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=N1	REAL300003521085	0	45	-2.0	-106.50	389.91	9.47	-97.03
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C=C1	REAL300003521090	0	42	-2.0	-108.56	374.20	8.53	-100.03
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C=C1	REAL300003521132	0	40	-2.0	-111.46	347.06	9.32	-102.14
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC=C([C@@H]4C[C@H]4C(=O)[O-])C=C3)=N2)=C1	REAL300003521299	0	45	-2.0	-114.35	392.54	9.12	-105.23
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=N1	REAL300003521300	0	48	-2.0	-112.15	409.04	10.19	-101.96
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C=C1	REAL300003521439	0	35	-2.0	-89.97	329.23	7.80	-82.17
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300003521556	0	38	-2.0	-98.36	332.17	6.10	-92.26
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300003521556	1	38	-2.0	-98.40	332.22	6.11	-92.29
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2=CC=C([O-])C(Cl)=C2)C=C1	REAL300003521595	0	35	-2.0	-91.64	323.01	7.73	-83.91
CCOC1=CC(C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=CC(Cl)=C1[O-]	REAL300003521599	1	42	-2.0	-94.02	374.06	8.77	-85.25
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C([C@@H]4C[C@H]4C(=O)[O-])C=C3)=N2)C=C1	REAL300003521608	0	46	-2.0	-109.71	397.27	7.77	-101.94
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=CO1	REAL300003521632	1	39	-2.0	-98.89	358.99	3.00	-95.89
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)C=C1	REAL300003521722	0	43	-2.0	-97.48	371.14	11.70	-85.78
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)C=C1	REAL300003521722	1	43	-2.0	-97.37	371.19	11.70	-85.67
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300003521794	0	38	-2.0	-86.08	342.46	5.90	-80.18
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300003521794	1	38	-2.0	-86.03	342.53	5.90	-80.13
COCC1=NC=C(C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C(=O)[N-]1	REAL300003522130	1	40	-2.0	-90.68	348.24	4.42	-86.26
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C=C1	REAL300003522179	1	43	-2.0	-89.97	361.81	7.32	-82.65
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C=C1	REAL300003522505	0	35	-2.0	-96.46	337.34	9.73	-86.73
CC1=C(CCC(=O)NCCOCC(=O)[O-])C(=O)NC(N2CCOCC2)=N1	REAL300003523305	0	48	-2.0	-108.25	397.29	4.23	-104.02
CC1=C(CCC(=O)NCCOCC(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300003523305	1	48	-2.0	-108.25	397.29	4.23	-104.02
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCCOCC(=O)[O-])=C1	REAL300003523626	0	38	-2.0	-103.32	339.45	2.05	-101.27
O=C([O-])COCCNC(=O)C1=CC=CC(S(=O)(=O)NC2=CC=C(F)C=C2)=C1	REAL300003523878	0	42	-2.0	-98.14	385.23	4.30	-93.84
O=C([O-])COCCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1	REAL300003523878	1	42	-2.0	-98.14	385.23	4.30	-93.84
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCOCC(=O)[O-]	REAL300003523919	0	38	-2.0	-104.29	339.52	2.27	-102.02
CC1=CC=C(C2=NNC(=S)N2CC(=O)NCCOCC(=O)[O-])C=C1	REAL300003523960	0	40	-2.0	-114.98	361.51	7.18	-107.80
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCCOCC(=O)[O-])C=C1	REAL300003523960	1	40	-2.0	-114.98	361.51	7.18	-107.80
O=C([O-])COCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300003524009	1	42	-2.0	-98.47	385.01	4.33	-94.14
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCCOCC(=O)[O-])C=C1	REAL300003524011	1	45	-2.0	-98.75	398.68	5.02	-93.73
O=C([O-])COCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300003524129	1	42	-2.0	-105.44	378.61	4.26	-101.18
O=C([O-])COCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300003524130	1	42	-2.0	-105.28	378.79	4.26	-101.02
CC1=CC(C(=O)NCCOCC(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300003524143	0	38	-2.0	-89.42	360.04	2.44	-86.98
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCCOCC(=O)[O-])C=C2)C=C1	REAL300003524271	1	45	-2.0	-99.73	400.18	4.93	-94.80
O=C([O-])COCCNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300003524355	0	39	-2.0	-101.89	370.54	3.26	-98.63
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCCOCC(=O)[O-])O1	REAL300003524372	1	41	-2.0	-100.41	364.12	0.60	-99.81
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCCOCC(=O)[O-])O1	REAL300003524373	1	32	-2.0	-99.92	310.50	-1.93	-101.85
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NCCOCC(=O)[O-])=C2)C=C1	REAL300003524490	1	45	-2.0	-104.93	400.20	4.91	-100.02
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)NCCOCC(=O)[O-])=C2)=C1	REAL300003524530	1	45	-2.0	-105.46	400.20	4.92	-100.54
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCCOCC(=O)[O-])=C1	REAL300003524601	0	42	-2.0	-109.05	374.16	0.28	-108.77
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCOCC(=O)[O-]	REAL300003524650	0	35	-2.0	-102.83	318.06	1.37	-101.46
O=C([O-])COCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300003524657	0	39	-2.0	-103.53	370.72	3.27	-100.26
O=C([O-])COCCNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300003524658	0	42	-2.0	-105.81	395.37	3.93	-101.88
CC(C)C(=O)[N-]C1=NC(CC(=O)NCCOCC(=O)[O-])=CS1	REAL300003524976	1	39	-2.0	-100.13	352.26	2.47	-97.66
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCCOCC(=O)[O-]	REAL300003525157	0	35	-2.0	-98.02	324.47	1.44	-96.58
CC1=C(CC(=O)NCCOCC(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003525165	1	41	-2.0	-105.14	363.10	2.67	-102.47
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCOCC(=O)[O-]	REAL300003525170	0	41	-2.0	-104.70	361.02	3.06	-101.64
CC1=C(C(=O)NCCOCC(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300003525223	1	41	-2.0	-106.96	342.14	2.86	-104.10
O=C([O-])COCCNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300003525328	1	42	-2.0	-98.95	378.77	4.26	-94.69
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NCCOCC(=O)[O-]	REAL300003525768	0	41	-2.0	-107.25	363.94	3.63	-103.62
O=C([O-])COCCNC(=O)C1=CC(Br)=C([O-])C(Br)=C1	REAL300003525852	0	28	-2.0	-90.77	298.44	3.58	-87.19
O=C([O-])COCCNC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300003525905	1	31	-2.0	-102.81	294.21	4.85	-97.96
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCCOCC(=O)[O-])C=N1	REAL300003525982	0	34	-2.0	-102.59	319.11	0.40	-102.19
O=C([O-])COCCNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300003526038	1	41	-2.0	-95.06	373.81	2.48	-92.58
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCCOCC(=O)[O-])=N2)=C1	REAL300003526053	0	44	-2.0	-119.10	378.71	5.45	-113.65
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCCOCC(=O)[O-])=N2)C=C1	REAL300003526054	0	44	-2.0	-117.22	378.63	5.45	-111.77
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCCOCC(=O)[O-])=N1	REAL300003526112	0	38	-2.0	-112.96	346.17	4.55	-108.41
O=C([O-])COCCNC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300003526115	0	35	-2.0	-113.93	324.85	3.60	-110.33
O=C([O-])COCCNC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300003526143	0	35	-2.0	-89.15	340.33	1.70	-87.45
O=C([O-])COCCNC(=O)C1=CN=C(I)C([O-])=C1	REAL300003526175	0	27	-2.0	-93.80	279.57	1.42	-92.38
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCCOCC(=O)[O-])=N2)=C1	REAL300003526215	0	38	-2.0	-120.99	343.19	4.18	-116.81
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCCOCC(=O)[O-])=N1	REAL300003526216	0	41	-2.0	-119.70	359.70	5.26	-114.44
CC1=C(CC(=O)NCCOCC(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003526242	1	41	-2.0	-103.37	362.37	2.62	-100.75
CCOC1=CC(C(=O)NCCOCC(=O)[O-])=CC(Cl)=C1[O-]	REAL300003526317	1	35	-2.0	-99.19	324.72	3.83	-95.36
O=C([O-])COCCNC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300003526321	0	38	-2.0	-122.98	348.34	4.97	-118.01
COC1=CC=C(N2C=C([O-])C(C(=O)NCCOCC(=O)[O-])=N2)C=C1	REAL300003526327	0	39	-2.0	-117.14	347.92	2.83	-114.31
C[N-]S(=O)(=O)C1=CC(C(=O)NCCOCC(=O)[O-])=CO1	REAL300003526342	1	32	-2.0	-97.17	309.64	-1.95	-99.12
O=C([O-])COCCNC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300003526821	0	28	-2.0	-99.95	288.27	4.89	-95.06
CC1=C(C(=O)NCCOCC(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300003527002	0	36	-2.0	-109.92	322.37	1.95	-107.97
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC(C(=O)[O-])C2CCCCC2)=C1	REAL300003527749	0	50	-2.0	-106.21	397.30	5.97	-100.24
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(C(=O)[O-])C1CCCCC1	REAL300003528038	0	50	-2.0	-108.00	403.93	6.08	-101.92
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(C(=O)[O-])C2CCCCC2)O1	REAL300003528482	1	44	-2.0	-98.55	368.76	1.95	-96.60
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(C(=O)[O-])C1CCCCC1	REAL300003528737	0	47	-2.0	-105.39	375.92	5.30	-100.09
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC(C(=O)[O-])C2CCCCC2)=CS1	REAL300003529074	1	51	-2.0	-101.74	416.65	6.28	-95.46
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCC(C(=O)[O-])C1CCCCC1	REAL300003529298	0	47	-2.0	-100.07	382.32	5.36	-94.71
CC1=C(CC(=O)NCC(C(=O)[O-])C2CCCCC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003529300	1	53	-2.0	-115.42	421.36	6.53	-108.89
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(C(=O)[O-])C1CCCCC1	REAL300003529303	0	53	-2.0	-107.42	418.88	6.98	-100.44
CC1=C(C(=O)NCC(C(=O)[O-])C2CCCCC2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300003529384	1	53	-2.0	-117.20	406.82	6.65	-110.55
O=C([O-])C(CNC(=O)C1=CC=C([O-])C(F)=C1)C1CCCCC1	REAL300003530429	1	40	-2.0	-98.77	328.27	6.12	-92.65
O=C([O-])C(CNC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1CCCCC1	REAL300003530441	1	43	-2.0	-106.41	358.61	8.66	-97.75
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC(C(=O)[O-])C2CCCCC2)C=N1	REAL300003530549	0	46	-2.0	-103.41	376.96	4.33	-99.08
O=C([O-])C(CNC(=O)C1=CN=C(C2CC2)[N-]C1=O)C1CCCCC1	REAL300003530585	1	45	-2.0	-113.26	354.12	5.73	-107.53
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCC(C(=O)[O-])C3CCCCC3)=N2)=C1	REAL300003530642	0	56	-2.0	-125.41	436.56	9.38	-116.03
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC(C(=O)[O-])C3CCCCC3)=N2)C=C1	REAL300003530643	0	56	-2.0	-122.91	436.50	9.39	-113.52
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC(C(=O)[O-])C2CCCCC2)=N1	REAL300003530737	0	50	-2.0	-119.09	410.59	8.35	-110.74
O=C([O-])C(CNC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1CCCCC1	REAL300003530742	0	47	-2.0	-119.37	389.27	7.41	-111.96
O=C([O-])C(CNC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1CCCCC1	REAL300003530783	1	45	-2.0	-124.31	362.42	8.27	-116.04
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC(C(=O)[O-])C3CCCCC3)=N2)=C1	REAL300003530946	0	50	-2.0	-126.82	401.05	8.11	-118.71
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC(C(=O)[O-])C2CCCCC2)=N1	REAL300003530947	0	53	-2.0	-125.72	417.53	9.20	-116.52
CC1=C(CC(=O)NCC(C(=O)[O-])C2CCCCC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003531024	1	53	-2.0	-115.28	426.77	6.44	-108.84
O=C([O-])C(CNC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1CCCCC1	REAL300003531086	0	40	-2.0	-91.74	338.12	6.74	-85.00
COC1=C(C(=O)NCC(C(=O)[O-])C2CCCCC2)NC(=O)[N-]C1=O	REAL300003531103	1	43	-2.0	-97.00	350.43	1.74	-95.26
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CCOC1=CC(C(=O)NCC(C(=O)[O-])C2CCCCC2)=CC(Cl)=C1[O-]	REAL300003531243	1	47	-2.0	-98.98	382.58	7.76	-91.22
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C[N-]S(=O)(=O)C1=CC(C(=O)NCC(C(=O)[O-])C2CCCCC2)=CO1	REAL300003531277	1	44	-2.0	-95.54	374.05	1.85	-93.69
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CC1=C(C(=O)[O-])OC(CNC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=C1	REAL300003538181	0	31	-2.0	-95.90	313.78	6.86	-89.04
CC1=C(C(=O)[O-])OC(CNC(=O)C2=C(C)N=C(C3=CC=CO3)[N-]C2=O)=C1	REAL300003538481	0	39	-2.0	-103.28	348.17	3.92	-99.36
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C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCCC2CC(=O)[O-])O1	REAL300003541038	1	38	-2.0	-102.93	320.49	2.43	-100.50
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCCCC2CC(=O)[O-])=CS1	REAL300003541537	1	45	-2.0	-126.47	364.90	7.04	-119.43
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CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCCCC3CC(=O)[O-])=N2)=C1	REAL300003542645	0	50	-2.0	-151.55	388.25	10.28	-141.27
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCCCC3CC(=O)[O-])=N2)C=C1	REAL300003542646	0	50	-2.0	-150.46	388.17	10.30	-140.16
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCCCC2CC(=O)[O-])=N1	REAL300003542698	0	44	-2.0	-145.56	355.70	9.35	-136.21
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CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCCCC3CC(=O)[O-])=N2)=C1	REAL300003542827	0	44	-2.0	-154.13	352.95	8.96	-145.17
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCCCC2CC(=O)[O-])=N1	REAL300003542828	0	47	-2.0	-153.09	368.03	9.92	-143.17
CC1=C(CC(=O)N2CCCCC2CC(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003542870	1	47	-2.0	-128.05	374.97	7.19	-120.86
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COC1=C(C(=O)N2CCCCC2CC(=O)[O-])NC(=O)[N-]C1=O	REAL300003542911	1	37	-2.0	-106.93	304.67	1.08	-105.85
CCOC1=CC(C(=O)N2CCCCC2CC(=O)[O-])=CC(Cl)=C1[O-]	REAL300003542989	1	41	-2.0	-112.05	335.89	8.06	-103.99
O=C([O-])CC1CCCCN1C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300003542992	0	44	-2.0	-152.86	347.16	9.21	-143.65
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCCCC3CC(=O)[O-])=N2)C=C1	REAL300003542997	0	45	-2.0	-149.77	357.46	7.67	-142.10
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCCCC2CC(=O)[O-])=CO1	REAL300003543008	1	38	-2.0	-112.65	319.86	2.50	-110.15
O=C([O-])CC1CCCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300003543114	0	37	-2.0	-98.98	303.24	5.98	-93.00
O=C([O-])CC1CCCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300003543114	1	37	-2.0	-98.97	303.30	5.98	-92.99
COCC1=NC=C(C(=O)N2CCCCC2CC(=O)[O-])C(=O)[N-]1	REAL300003543325	1	39	-2.0	-124.65	311.66	3.56	-121.09
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O=C([O-])CC1CCCCN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300003543554	0	34	-2.0	-135.41	298.61	8.29	-127.12
COC1=CC=C(C(=O)NC2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)C([O-])=C1	REAL300003545797	1	39	-2.0	-109.95	346.60	7.04	-102.91
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O=C([O-])C1=NN(C2=CC=C(NC(=O)C3=CC=C([O-])C(Cl)=C3)C=C2F)C=C1	REAL300003546837	0	35	-2.0	-98.19	336.51	6.95	-91.24
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COCC1=NC=C(C(=O)NC2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)C(=O)[N-]1	REAL300003547171	1	40	-2.0	-88.99	360.37	3.46	-85.53
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O=C([O-])C1=C(C(F)F)N(C2CCN(C(=O)C3=C[N-]N=CC3=O)CC2)N=N1	REAL300003549457	0	38	-2.0	-95.74	335.11	3.45	-92.29
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC=C(C(=O)[O-])C3=CC=CC=C23)=C1	REAL300003551192	1	44	-2.0	-108.23	376.52	7.11	-101.12
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(C(=O)[O-])C2=CC=CC=C12	REAL300003551441	1	44	-2.0	-109.42	376.60	7.35	-102.07
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C3=CC=CC=C23)O1	REAL300003551817	1	38	-2.0	-90.43	347.56	3.15	-87.28
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(C(=O)[O-])C2=CC=CC=C12	REAL300003552023	0	41	-2.0	-108.02	355.13	6.45	-101.57
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=CC=C(C(=O)[O-])C3=CC=CC=C23)=CS1	REAL300003552326	1	45	-2.0	-112.68	389.33	7.55	-105.13
COC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C3=CC=CC=C23)C([O-])=C1	REAL300003553085	1	38	-2.0	-118.46	321.98	8.12	-110.34
O=C([O-])C1=CC=C(NC(=O)C2=CC=C([O-])C(F)=C2)C2=CC=CC=C12	REAL300003553623	1	34	-2.0	-95.95	300.93	7.39	-88.56
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C2=CC=CC=C12	REAL300003553636	1	37	-2.0	-109.52	331.27	9.81	-99.71
O=C([O-])C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C2=CC=CC=C12	REAL300003553682	0	34	-2.0	-95.50	298.39	5.43	-90.07
O=C([O-])C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C2=CC=CC=C12	REAL300003553682	1	34	-2.0	-95.52	298.45	5.45	-90.07
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C3=CC=CC=C23)C=N1	REAL300003553763	0	40	-2.0	-97.79	356.17	5.48	-92.31
O=C([O-])C1=CC=C(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)C2=CC=CC=C12	REAL300003553798	1	39	-2.0	-94.59	333.64	6.89	-87.70
O=C([O-])C1=CC=C(NC(=O)C2=CN=CC([O-])=C2)C2=CC=CC=C12	REAL300003553839	1	33	-2.0	-99.79	289.77	5.49	-94.30
O=C([O-])C1=CC=C(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C2=CC=CC=C12	REAL300003553954	0	41	-2.0	-116.68	360.93	8.61	-108.07
O=C([O-])C1=CC=C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C2=CC=CC=C12	REAL300003554000	0	39	-2.0	-118.09	335.08	9.43	-108.66
O=C([O-])C1=CC=C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C2=CC=CC=C12	REAL300003554287	0	34	-2.0	-94.35	316.96	7.94	-86.41
O=C([O-])C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C2=CC=CC=C12	REAL300003554405	0	37	-2.0	-107.48	319.89	6.22	-101.26
O=C([O-])C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C2=CC=CC=C12	REAL300003554405	1	37	-2.0	-107.48	319.95	6.23	-101.25
O=C([O-])C1=CC=C(NC(=O)C2=CC=C([O-])C(Cl)=C2)C2=CC=CC=C12	REAL300003554442	0	34	-2.0	-93.20	310.73	7.87	-85.33
CCOC1=CC(C(=O)NC2=CC=C(C(=O)[O-])C3=CC=CC=C23)=CC(Cl)=C1[O-]	REAL300003554445	1	41	-2.0	-97.20	361.77	8.91	-88.29
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=C(C(=O)[O-])C3=CC=CC=C23)=CO1	REAL300003554479	1	38	-2.0	-103.16	347.10	3.10	-100.06
O=C([O-])C1=CC=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)C2=CC=CC=C12	REAL300003554569	0	42	-2.0	-102.96	358.19	11.77	-91.19
O=C([O-])C1=CC=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)C2=CC=CC=C12	REAL300003554569	1	42	-2.0	-102.93	358.14	11.76	-91.17
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C2=CC=CC=C12	REAL300003554644	0	37	-2.0	-88.43	330.54	6.02	-82.41
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C2=CC=CC=C12	REAL300003554644	1	37	-2.0	-88.47	330.47	6.01	-82.46
O=C([O-])C1=CC=C(NC(=O)C2=C[N-]N=CC2=O)C2=CC=CC=C12	REAL300003554929	0	32	-2.0	-86.95	282.00	5.92	-81.03
COCC1=NC=C(C(=O)NC2=CC=C(C(=O)[O-])C3=CC=CC=C23)C(=O)[N-]1	REAL300003554963	1	39	-2.0	-94.32	335.49	4.55	-89.77
O=C([O-])C1=CC=C(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C2=CC=CC=C12	REAL300003555011	1	42	-2.0	-94.54	349.39	7.44	-87.10
O=C([O-])C1=CC=C(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C2=CC=CC=C12	REAL300003555323	0	34	-2.0	-104.93	325.34	9.84	-95.09
COC1CN(C(=O)CN2C(=S)[N-]N=C2C2=CC=C(C)C=C2)C(C)(C(=O)[O-])C1	REAL300003556733	1	47	-2.0	-119.32	397.71	9.78	-109.54
COC1CN(C(=O)C2=CC=C(S(=O)(=O)[N-]C(C)(C)C)O2)C(C)(C(=O)[O-])C1	REAL300003557090	1	48	-2.0	-97.54	396.46	3.31	-94.23
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC(OC)CC2(C)C(=O)[O-])O1	REAL300003557091	1	39	-2.0	-96.60	342.84	0.77	-95.83
COC1CN(C(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)C(C)(C(=O)[O-])C1	REAL300003557578	1	46	-2.0	-118.21	387.99	5.08	-113.13
COC1CN(C(=O)CC2=C(C)N=C(C3=CC=CN=C3)[N-]C2=O)C(C)(C(=O)[O-])C1	REAL300003557774	1	48	-2.0	-137.22	398.95	5.30	-131.92
COC1CN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C(C)(C(=O)[O-])C1	REAL300003558651	1	38	-2.0	-118.96	328.99	6.41	-112.55
COC1CN(C(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C(C)(C(=O)[O-])C1	REAL300003558737	0	41	-2.0	-111.46	350.92	2.69	-108.77
COC1CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C(C)(C(=O)[O-])C1	REAL300003558759	1	40	-2.0	-124.40	327.28	3.11	-121.29
COC1CN(C(=O)C2=NN(C3=CC=CC(C(C)C)=C3)C=C2[O-])C(C)(C(=O)[O-])C1	REAL300003558811	0	51	-2.0	-138.03	411.05	8.37	-129.66
COC1CN(C(=O)C2=NN(C3=CC=C(C(C)C)C=C3)C=C2[O-])C(C)(C(=O)[O-])C1	REAL300003558812	0	51	-2.0	-136.92	410.99	8.36	-128.56
COC1CN(C(=O)C2=NN(C3=CC=C(F)C=C3C)C=C2[O-])C(C)(C(=O)[O-])C1	REAL300003558874	0	45	-2.0	-136.45	378.95	7.44	-129.01
COC1CN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C(C)(C(=O)[O-])C1	REAL300003558879	0	42	-2.0	-134.76	357.20	6.52	-128.24
COC1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C(C)(C(=O)[O-])C1	REAL300003558904	1	40	-2.0	-138.32	329.97	7.21	-131.11
COC1CN(C(=O)C2=NN(C3=CC(C)=CC=C3F)C=C2[O-])C(C)(C(=O)[O-])C1	REAL300003559034	0	45	-2.0	-145.49	375.96	7.07	-138.42
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC(OC)CC2(C)C(=O)[O-])=N1	REAL300003559035	0	48	-2.0	-144.92	390.19	8.12	-136.80
COC1CN(C(=O)CC2=C(C)N=C(C3=CC=NC=C3)[N-]C2=O)C(C)(C(=O)[O-])C1	REAL300003559085	1	48	-2.0	-136.10	399.12	5.29	-130.81
COC1CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C(C)(C(=O)[O-])C1	REAL300003559130	0	35	-2.0	-102.14	311.89	5.14	-97.00
COC1=C(C(=O)N2CC(OC)CC2(C)C(=O)[O-])NC(=O)[N-]C1=O	REAL300003559137	1	38	-2.0	-103.95	319.51	0.31	-103.64
COC1CN(C(=O)C2=CC=C([O-])C(Cl)=C2)C(C)(C(=O)[O-])C1	REAL300003559231	0	35	-2.0	-103.04	305.68	5.07	-97.97
CCOC1=CC(C(=O)N2CC(OC)CC2(C)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300003559234	1	42	-2.0	-104.83	356.38	5.98	-98.85
COC1=CC=C(N2C=C([O-])C(C(=O)N3CC(OC)CC3(C)C(=O)[O-])=N2)C=C1	REAL300003559242	0	46	-2.0	-139.81	380.77	5.71	-134.10
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC(OC)CC2(C)C(=O)[O-])=CO1	REAL300003559256	1	39	-2.0	-101.61	340.15	0.39	-101.22
COC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C)(C(=O)[O-])C1	REAL300003559383	0	38	-2.0	-95.71	325.84	4.01	-91.70
COC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C)(C(=O)[O-])C1	REAL300003559383	1	38	-2.0	-95.72	325.91	4.02	-91.70
COCC1=NC=C(C(=O)N2CC(OC)CC2(C)C(=O)[O-])C(=O)[N-]1	REAL300003559625	1	40	-2.0	-115.28	341.44	1.53	-113.75
COC1CN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C(C)(C(=O)[O-])C1	REAL300003559662	1	43	-2.0	-116.17	355.35	4.42	-111.75
COC1CN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C(C)(C(=O)[O-])C1	REAL300003559893	0	35	-2.0	-117.11	322.74	6.52	-110.59
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC2CCCOC2)C(=O)[O-])O1	REAL300003562381	1	42	-2.0	-97.43	363.40	0.89	-96.54
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(CC2CCCOC2)C(=O)[O-])=CS1	REAL300003562842	1	49	-2.0	-112.71	405.38	5.22	-107.49
O=C([O-])C(CC1CCCOC1)NC(=O)C1=CC=C([O-])C(F)=C1	REAL300003563907	1	38	-2.0	-101.39	321.24	4.32	-97.07
O=C([O-])C(CC1CCCOC1)NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300003563917	1	41	-2.0	-120.34	351.32	6.90	-113.44
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(CC2CCCOC2)C(=O)[O-])C=N1	REAL300003564004	0	44	-2.0	-104.97	372.01	3.24	-101.73
O=C([O-])C(CC1CCCOC1)NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300003564027	1	43	-2.0	-113.50	353.87	3.94	-109.56
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(CC2CCCOC2)C(=O)[O-])=N1	REAL300003564143	0	48	-2.0	-129.47	398.12	6.51	-122.96
O=C([O-])C(CC1CCCOC1)NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300003564148	0	45	-2.0	-131.22	381.98	5.65	-125.57
O=C([O-])C(CC1CCCOC1)NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300003564177	1	43	-2.0	-136.35	355.13	6.53	-129.82
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(CC3CCCOC3)C(=O)[O-])=N2)=C1	REAL300003564311	0	48	-2.0	-138.62	400.56	6.18	-132.44
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CC2CCCOC2)C(=O)[O-])=N1	REAL300003564312	0	51	-2.0	-136.77	409.85	7.38	-129.39
O=C([O-])C(CC1CCCOC1)NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300003564423	0	38	-2.0	-98.31	337.24	4.86	-93.45
COC1=C(C(=O)NC(CC2CCCOC2)C(=O)[O-])NC(=O)[N-]C1=O	REAL300003564434	1	41	-2.0	-98.90	338.33	0.73	-98.17
O=C(CCCC1=N[N-]N=N1)NC(CC1CCCOC1)C(=O)[O-]	REAL300003564508	0	41	-2.0	-106.00	339.95	3.20	-102.80
O=C(CCCC1=NN=N[N-]1)NC(CC1CCCOC1)C(=O)[O-]	REAL300003564508	1	41	-2.0	-105.98	340.01	3.22	-102.76
O=C([O-])C(CC1CCCOC1)NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300003564539	0	38	-2.0	-99.23	330.80	4.87	-94.36
CCOC1=CC(C(=O)NC(CC2CCCOC2)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300003564543	1	45	-2.0	-103.74	382.08	5.84	-97.90
COC1=CC=C(N2C=C([O-])C(C(=O)NC(CC3CCCOC3)C(=O)[O-])=N2)C=C1	REAL300003564549	0	49	-2.0	-133.08	401.07	5.58	-127.50
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CC2CCCOC2)C(=O)[O-])=CO1	REAL300003564564	1	42	-2.0	-103.83	366.76	0.10	-103.73
O=C([O-])C(CC1CCCOC1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300003564698	0	41	-2.0	-91.78	350.53	3.01	-88.77
O=C([O-])C(CC1CCCOC1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300003564698	1	41	-2.0	-91.78	350.60	3.02	-88.76
COCC1=NC=C(C(=O)NC(CC2CCCOC2)C(=O)[O-])C(=O)[N-]1	REAL300003564951	1	43	-2.0	-111.96	355.97	1.53	-110.43
O=C([O-])C(CC1CCCOC1)NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300003564994	1	46	-2.0	-112.49	364.90	5.15	-107.34
O=C([O-])C(CC1CCCOC1)NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300003565232	0	38	-2.0	-115.50	341.17	7.70	-107.80
CC1=C(CCC(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300003567269	1	54	-2.0	-119.93	418.66	7.38	-112.55
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)=C1	REAL300003567622	0	44	-2.0	-124.23	358.80	4.67	-119.56
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1	REAL300003567934	0	44	-2.0	-125.39	358.88	4.91	-120.48
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)C=C1	REAL300003567984	1	46	-2.0	-105.53	382.47	10.28	-95.25
C[C@H]1CN(C(=O)C2=CC=C(S(=O)(=O)[N-]C(C)(C)C)O2)C[C@]1(C)C(=O)[O-]	REAL300003568436	1	47	-2.0	-88.35	382.68	3.68	-84.67
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)O1	REAL300003568437	1	38	-2.0	-100.24	327.57	1.21	-99.03
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)=C1	REAL300003568668	0	48	-2.0	-131.95	392.98	2.87	-129.08
C[C@H]1CN(C(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)C[C@]1(C)C(=O)[O-]	REAL300003568714	0	41	-2.0	-123.46	337.42	4.03	-119.43
CC(C)C(=O)[N-]C1=NC(CC(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)=CS1	REAL300003569088	1	45	-2.0	-113.72	372.59	5.60	-108.12
C[C@H]1CN(C(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)C[C@]1(C)C(=O)[O-]	REAL300003569323	0	41	-2.0	-114.85	343.83	4.08	-110.77
CC1=C(CC(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003569328	1	47	-2.0	-105.79	383.72	5.80	-99.99
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1	REAL300003569332	0	47	-2.0	-126.10	380.38	5.70	-120.40
CC1=C(C(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300003569403	1	47	-2.0	-101.31	372.57	5.41	-95.90
C[C@H]1CN(C(=O)C2=CC3=CC=CC=C3C=C2[N-]S(C)(=O)=O)C[C@]1(C)C(=O)[O-]	REAL300003570153	0	47	-2.0	-103.21	383.91	6.29	-96.92
C[C@H]1CN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C[C@]1(C)C(=O)[O-]	REAL300003570348	1	37	-2.0	-127.26	313.53	7.30	-119.96
C[C@H]1CN(C(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C[C@]1(C)C(=O)[O-]	REAL300003570447	0	40	-2.0	-106.37	335.76	3.03	-103.34
C[C@H]1CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C[C@]1(C)C(=O)[O-]	REAL300003570478	1	39	-2.0	-102.86	322.99	4.57	-98.29
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3C[C@H](C)[C@@](C)(C(=O)[O-])C3)=N2)=C1	REAL300003570532	0	50	-2.0	-113.86	396.05	8.80	-105.06
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3C[C@H](C)[C@@](C)(C(=O)[O-])C3)=N2)C=C1	REAL300003570533	0	50	-2.0	-112.56	396.04	8.80	-103.76
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)=N1	REAL300003570609	0	44	-2.0	-130.74	362.96	7.89	-122.85
C[C@H]1CN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C[C@]1(C)C(=O)[O-]	REAL300003570614	0	41	-2.0	-131.85	341.91	6.94	-124.91
C[C@H]1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C[C@]1(C)C(=O)[O-]	REAL300003570638	1	39	-2.0	-128.52	314.77	8.06	-120.46
C[C@H]1CN(C(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)C[C@]1(C)C(=O)[O-]	REAL300003570658	0	41	-2.0	-93.46	357.06	4.39	-89.07
C[C@H]1CN(C(=O)C2=CN=C(I)C([O-])=C2)C[C@]1(C)C(=O)[O-]	REAL300003570707	0	33	-2.0	-97.44	296.14	4.11	-93.33
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3C[C@H](C)[C@@](C)(C(=O)[O-])C3)=N2)=C1	REAL300003570770	0	44	-2.0	-138.32	360.24	7.52	-130.80
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)=N1	REAL300003570771	0	47	-2.0	-115.72	375.22	8.48	-107.24
CC1=C(CC(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003570831	1	47	-2.0	-104.22	382.98	5.75	-98.47
C[C@H]1CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C[C@]1(C)C(=O)[O-]	REAL300003570874	0	34	-2.0	-102.78	296.64	5.55	-97.23
COC1=C(C(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)NC(=O)[N-]C1=O	REAL300003570882	1	37	-2.0	-103.15	304.28	1.11	-102.04
CCOC1=CC(C(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300003570989	1	41	-2.0	-106.14	341.48	6.53	-99.61
C[C@H]1CN(C(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])C[C@]1(C)C(=O)[O-]	REAL300003570993	0	44	-2.0	-137.21	368.94	8.20	-129.01
COC1=CC=C(N2C=C([O-])C(C(=O)N3C[C@H](C)[C@@](C)(C(=O)[O-])C3)=N2)C=C1	REAL300003571001	0	45	-2.0	-112.66	365.33	6.19	-106.47
C[N-]S(=O)(=O)C1=CC(C(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)=CO1	REAL300003571021	1	38	-2.0	-108.69	325.36	0.88	-107.81
C[C@H]1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@]1(C)C(=O)[O-]	REAL300003571152	0	37	-2.0	-86.74	310.55	4.55	-82.19
C[C@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@]1(C)C(=O)[O-]	REAL300003571152	1	37	-2.0	-86.71	310.62	4.55	-82.16
COCC1=NC=C(C(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)C(=O)[N-]1	REAL300003571424	1	39	-2.0	-100.96	325.09	2.16	-98.80
C[C@H]1CN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C[C@]1(C)C(=O)[O-]	REAL300003571463	1	42	-2.0	-128.90	339.58	5.10	-123.80
C[C@H]1CN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C[C@]1(C)C(=O)[O-]	REAL300003571724	0	34	-2.0	-122.19	307.77	7.23	-114.96
CC1=C(C(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300003571985	0	42	-2.0	-103.44	352.95	4.52	-98.92
CC1=C(CCC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C(=O)[N-]C(N2CCOCC2)=N1	REAL300003573216	1	53	-2.0	-116.26	414.06	6.51	-109.75
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300003573745	1	45	-2.0	-129.78	377.99	9.54	-120.24
CC(C)(C)[C@H](NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300003573891	1	47	-2.0	-107.36	393.76	6.59	-100.77
CC(C)(C)[C@H](NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300003573892	1	47	-2.0	-113.33	394.89	6.62	-106.71
CC1=CC(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300003573903	0	43	-2.0	-92.73	376.81	4.74	-87.99
CC(C)(C)[C@H](NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300003574086	0	44	-2.0	-105.47	385.69	5.59	-99.88
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)O1	REAL300003574104	1	46	-2.0	-97.76	380.43	2.84	-94.92
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)O1	REAL300003574105	1	37	-2.0	-96.35	325.67	0.40	-95.95
CC(C)(C)[C@H](NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C(=O)[O-]	REAL300003574330	0	44	-2.0	-111.18	385.88	5.58	-105.60
CC(C)C(=O)[N-]C1=NC(CC(=O)N[C@H](C(=O)[O-])C(C)(C)C)=CS1	REAL300003574582	1	44	-2.0	-112.67	369.01	4.76	-107.91
CC1=C(CC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003574758	1	46	-2.0	-116.56	378.29	4.97	-111.59
CC(C)(C)[C@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300003574888	1	47	-2.0	-100.49	393.94	6.58	-93.91
CC(C)(C)[C@H](NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300003575422	1	36	-2.0	-119.80	310.96	7.13	-112.67
CC(C)(C)[C@H](NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300003575490	0	39	-2.0	-104.81	335.87	2.68	-102.13
CC(C)(C)[C@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300003575536	1	46	-2.0	-96.62	388.97	4.80	-91.82
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=N2)=C1	REAL300003575550	0	49	-2.0	-134.58	395.47	7.72	-126.86
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=N2)C=C1	REAL300003575551	0	49	-2.0	-132.57	393.80	7.77	-124.80
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=N1	REAL300003575597	0	43	-2.0	-128.97	357.54	6.80	-122.17
CC(C)(C)[C@H](NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300003575601	0	40	-2.0	-130.46	341.62	5.87	-124.59
CC(C)(C)[C@H](NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(=O)[O-]	REAL300003575617	1	38	-2.0	-135.12	313.17	6.77	-128.35
CC(C)(C)[C@H](NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300003575633	0	40	-2.0	-97.58	357.10	3.98	-93.60
CC(C)(C)[C@H](NC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300003575665	0	32	-2.0	-100.22	294.73	3.73	-96.49
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=N2)=C1	REAL300003575698	0	43	-2.0	-137.66	359.30	6.53	-131.13
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=N1	REAL300003575699	0	46	-2.0	-136.10	369.49	7.60	-128.50
CC1=C(CC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003575727	1	46	-2.0	-114.61	378.47	4.97	-109.64
CC(C)(C)[C@H](NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300003575754	0	33	-2.0	-98.22	296.64	5.16	-93.06
CCOC1=CC(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=CC(Cl)=C1[O-]	REAL300003575814	1	40	-2.0	-102.53	339.87	6.16	-96.37
CC(C)(C)[C@H](NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300003575817	0	43	-2.0	-138.66	365.11	7.24	-131.42
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=N2)C=C1	REAL300003575821	0	44	-2.0	-132.22	363.08	5.14	-127.08
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=CO1	REAL300003575831	1	37	-2.0	-103.72	325.74	0.40	-103.32
CC(C)(C)[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300003575926	0	36	-2.0	-91.83	310.18	3.23	-88.60
CC(C)(C)[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300003575926	1	36	-2.0	-91.80	310.25	3.23	-88.57
CC(C)(C)[C@H](NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(=O)[O-]	REAL300003576129	1	41	-2.0	-112.27	329.52	4.64	-107.63
CC(C)(C)[C@H](NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300003576292	0	33	-2.0	-115.44	304.37	7.23	-108.21
C=C(Cl)CC(NC(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1)C(=O)[O-]	REAL300003577429	1	40	-2.0	-126.04	375.92	9.45	-116.59
C=C(Cl)CC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300003577792	1	41	-2.0	-94.10	379.67	2.78	-91.32
C=C(Cl)CC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C)O1)C(=O)[O-]	REAL300003577793	1	32	-2.0	-92.89	324.90	0.33	-92.56
C=C(Cl)CC(NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1)C(=O)[O-]	REAL300003578291	1	39	-2.0	-110.17	366.66	4.75	-105.42
C=C(Cl)CC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300003579314	1	31	-2.0	-116.59	309.45	7.05	-109.54
C=C(Cl)CC(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300003579388	0	34	-2.0	-102.16	333.56	2.69	-99.47
C=C(Cl)CC(NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-])C(=O)[O-]	REAL300003579454	0	44	-2.0	-129.97	393.15	7.73	-122.24
C=C(Cl)CC(NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])C(=O)[O-]	REAL300003579455	0	44	-2.0	-128.22	393.08	7.72	-120.50
C=C(Cl)CC(NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-])C(=O)[O-]	REAL300003579511	0	38	-2.0	-124.45	360.38	6.89	-117.56
C=C(Cl)CC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300003579516	0	35	-2.0	-125.33	339.05	5.94	-119.39
C=C(Cl)CC(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(=O)[O-]	REAL300003579536	1	33	-2.0	-130.35	312.42	6.72	-123.63
C=C(Cl)CC(NC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300003579596	0	27	-2.0	-96.75	293.78	3.77	-92.98
C=C(Cl)CC(NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-])C(=O)[O-]	REAL300003579648	0	38	-2.0	-132.69	357.40	6.52	-126.17
C=C(Cl)CC(NC(=O)C1=NN(C2=CC=CC=C2CC)C=C1[O-])C(=O)[O-]	REAL300003579649	0	41	-2.0	-131.29	374.16	7.55	-123.74
C=C(Cl)CC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300003579733	0	28	-2.0	-95.51	295.12	5.10	-90.41
C=C(Cl)CC(NC(=O)C1=C(OC)C(=O)[N-]C(=O)N1)C(=O)[O-]	REAL300003579739	1	31	-2.0	-95.67	301.26	0.14	-95.53
C=C(Cl)CC(NC(=O)C1=CC=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300003579819	0	28	-2.0	-96.26	288.12	5.07	-91.19
C=C(Cl)CC(NC(=O)C1=CC(Cl)=C([O-])C(OCC)=C1)C(=O)[O-]	REAL300003579823	1	35	-2.0	-100.04	339.96	6.07	-93.97
C=C(Cl)CC(NC(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-])C(=O)[O-]	REAL300003579830	0	39	-2.0	-127.86	362.13	5.17	-122.69
C=C(Cl)CC(NC(=O)C1=COC(S(=O)(=O)[N-]C)=C1)C(=O)[O-]	REAL300003579842	1	32	-2.0	-102.24	324.05	0.31	-101.93
C=C(Cl)CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300003579955	0	31	-2.0	-88.65	308.65	3.17	-85.48
C=C(Cl)CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300003579955	1	31	-2.0	-88.61	308.72	3.17	-85.44
C=C(Cl)CC(NC(=O)C1=CN=C(COC)[N-]C1=O)C(=O)[O-]	REAL300003580179	1	33	-2.0	-107.84	313.29	1.74	-106.10
C=C(Cl)CC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300003580419	0	28	-2.0	-112.21	302.66	7.13	-105.08
CC1=C(CCC(=O)N2C3CCC2(C(=O)[O-])CC3)C(=O)[N-]C(N2CCOCC2)=N1	REAL300003581155	1	52	-2.0	-124.54	405.42	8.61	-115.93
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2C3CCC2(C(=O)[O-])CC3)C=C1	REAL300003581709	1	44	-2.0	-135.60	368.46	11.56	-124.04
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2C3CCC2(C(=O)[O-])CC3)O1	REAL300003582067	1	45	-2.0	-101.86	367.85	4.97	-96.89
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2C3CCC2(C(=O)[O-])CC3)O1	REAL300003582068	1	36	-2.0	-100.36	313.08	2.53	-97.83
CC(C)C(=O)[N-]C1=NC(CC(=O)N2C3CCC2(C(=O)[O-])CC3)=CS1	REAL300003582566	1	43	-2.0	-129.72	358.07	6.84	-122.88
CC1=C(CC(=O)N2C3CCC2(C(=O)[O-])CC3)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003582758	1	45	-2.0	-136.00	368.00	7.03	-128.97
O=C([O-])C12CCC(CC1)N2C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300003583509	1	35	-2.0	-138.92	298.17	8.22	-130.70
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2C3CCC2(C(=O)[O-])CC3)C=N1	REAL300003583584	0	38	-2.0	-112.64	325.88	4.40	-108.24
O=C([O-])C12CCC(CC1)N2C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300003583602	1	37	-2.0	-119.12	304.91	5.71	-113.41
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3C4CCC3(C(=O)[O-])CC4)=N2)=C1	REAL300003583651	0	48	-2.0	-148.36	380.95	9.98	-138.38
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3C4CCC3(C(=O)[O-])CC4)=N2)C=C1	REAL300003583652	0	48	-2.0	-147.46	380.87	9.99	-137.47
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2C3CCC2(C(=O)[O-])CC3)=N1	REAL300003583703	0	42	-2.0	-145.33	348.64	8.66	-136.67
O=C([O-])C12CCC(CC1)N2C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300003583707	0	39	-2.0	-146.06	327.10	8.13	-137.93
O=C([O-])C12CCC(CC1)N2C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300003583725	1	37	-2.0	-149.56	299.82	8.65	-140.91
O=C([O-])C12CCC(CC1)N2C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300003583742	0	39	-2.0	-111.49	347.16	5.74	-105.75
O=C([O-])C12CCC(CC1)N2C(=O)C1=CN=C(I)C([O-])=C1	REAL300003583782	0	31	-2.0	-112.88	287.10	5.45	-107.43
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3C4CCC3(C(=O)[O-])CC4)=N2)=C1	REAL300003583829	0	42	-2.0	-153.05	345.43	8.71	-144.34
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2C3CCC2(C(=O)[O-])CC3)=N1	REAL300003583830	0	45	-2.0	-152.79	363.77	9.75	-143.04
CC1=C(CC(=O)N2C3CCC2(C(=O)[O-])CC3)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003583870	1	45	-2.0	-134.34	368.19	7.02	-127.32
O=C([O-])C12CCC(CC1)N2C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300003583902	0	32	-2.0	-107.36	287.89	6.98	-100.38
COC1=C(C(=O)N2C3CCC2(C(=O)[O-])CC3)NC(=O)[N-]C1=O	REAL300003583908	1	35	-2.0	-107.99	289.55	1.80	-106.19
CCOC1=CC(C(=O)N2C3CCC2(C(=O)[O-])CC3)=CC(Cl)=C1[O-]	REAL300003583983	1	39	-2.0	-113.17	331.44	7.89	-105.28
O=C([O-])C12CCC(CC1)N2C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300003583986	0	42	-2.0	-150.19	341.71	9.05	-141.14
COC1=CC=C(N2C=C([O-])C(C(=O)N3C4CCC3(C(=O)[O-])CC4)=N2)C=C1	REAL300003583991	0	43	-2.0	-147.02	350.16	7.36	-139.66
C[N-]S(=O)(=O)C1=CC(C(=O)N2C3CCC2(C(=O)[O-])CC3)=CO1	REAL300003584002	1	36	-2.0	-117.81	312.82	2.19	-115.62
O=C([O-])C12CCC(CC1)N2C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300003584103	0	35	-2.0	-98.12	295.62	5.75	-92.37
O=C([O-])C12CCC(CC1)N2C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300003584103	1	35	-2.0	-98.07	295.68	5.75	-92.32
COCC1=NC=C(C(=O)N2C3CCC2(C(=O)[O-])CC3)C(=O)[N-]1	REAL300003584308	1	37	-2.0	-116.08	301.55	3.40	-112.68
O=C([O-])C12CCC(CC1)N2C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300003584339	1	40	-2.0	-119.27	320.73	6.25	-113.02
O=C([O-])C12CCC(CC1)N2C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300003584530	0	32	-2.0	-133.04	292.24	8.25	-124.79
C=C(C)CC(NC(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O)C(=O)[O-]	REAL300003586240	1	51	-2.0	-105.04	414.60	6.75	-98.29
C=C(C)CC(NC(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1)C(=O)[O-]	REAL300003586769	1	43	-2.0	-127.25	381.34	9.55	-117.70
C=C(C)CC(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300003586916	1	45	-2.0	-106.37	398.18	6.62	-99.75
C=C(C)CC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300003586917	1	45	-2.0	-111.52	398.62	6.61	-104.91
C=C(C)CC(NC(=O)C1=CC=C([N-]S(=O)(=O)C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300003586928	0	41	-2.0	-90.77	378.92	4.99	-85.78
C=C(C)CC(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300003587112	0	42	-2.0	-107.73	390.37	5.64	-102.09
C=C(C)CC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300003587129	1	44	-2.0	-96.24	383.10	3.01	-93.23
C=C(C)CC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C)O1)C(=O)[O-]	REAL300003587130	1	35	-2.0	-95.29	329.48	0.47	-94.82
C=C(C)CC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C(=O)[O-]	REAL300003587358	0	42	-2.0	-109.91	388.27	5.74	-104.17
C=C(C)CC(NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1)C(=O)[O-]	REAL300003587612	1	42	-2.0	-109.93	371.24	4.89	-105.04
C=C(C)CC(NC(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O)C(=O)[O-]	REAL300003587784	1	44	-2.0	-115.17	382.67	5.02	-110.15
C=C(C)CC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300003587913	1	45	-2.0	-99.35	397.80	6.67	-92.68
C=C(C)CC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300003588445	1	34	-2.0	-117.21	313.77	7.18	-110.03
C=C(C)CC(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300003588511	0	37	-2.0	-102.75	337.98	2.95	-99.80
C=C(C)CC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300003588556	1	44	-2.0	-95.49	392.81	4.89	-90.60
C=C(C)CC(NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-])C(=O)[O-]	REAL300003588570	0	47	-2.0	-131.75	395.43	8.07	-123.68
C=C(C)CC(NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])C(=O)[O-]	REAL300003588571	0	47	-2.0	-130.28	397.52	7.98	-122.30
C=C(C)CC(NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-])C(=O)[O-]	REAL300003588618	0	41	-2.0	-126.97	365.06	7.08	-119.89
C=C(C)CC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300003588622	0	38	-2.0	-127.52	342.40	6.06	-121.46
C=C(C)CC(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(=O)[O-]	REAL300003588637	1	36	-2.0	-132.39	317.84	6.82	-125.57
C=C(C)CC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300003588653	0	38	-2.0	-95.53	360.16	4.05	-91.48
C=C(C)CC(NC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300003588683	0	30	-2.0	-98.79	298.69	3.90	-94.89
C=C(C)CC(NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-])C(=O)[O-]	REAL300003588715	0	41	-2.0	-134.88	359.67	6.87	-128.01
C=C(C)CC(NC(=O)C1=NN(C2=CC=CC=C2CC)C=C1[O-])C(=O)[O-]	REAL300003588716	0	44	-2.0	-133.43	378.82	7.74	-125.69
C=C(C)CC(NC(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O)C(=O)[O-]	REAL300003588741	1	44	-2.0	-112.82	382.24	4.98	-107.84
C=C(C)CC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300003588766	0	31	-2.0	-96.28	299.70	5.24	-91.04
C=C(C)CC(NC(=O)C1=CC(Cl)=C([O-])C(OCC)=C1)C(=O)[O-]	REAL300003588824	1	38	-2.0	-101.13	343.71	6.25	-94.88
C=C(C)CC(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300003588827	0	41	-2.0	-135.55	365.89	7.43	-128.12
C=C(C)CC(NC(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-])C(=O)[O-]	REAL300003588831	0	42	-2.0	-129.95	366.80	5.36	-124.59
C=C(C)CC(NC(=O)C1=COC(S(=O)(=O)[N-]C)=C1)C(=O)[O-]	REAL300003588841	1	35	-2.0	-101.95	329.47	0.41	-101.54
C=C(C)CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300003588935	0	34	-2.0	-89.70	312.40	3.35	-86.35
C=C(C)CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300003588935	1	34	-2.0	-89.64	312.47	3.35	-86.29
C=C(C)CC(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(=O)[O-]	REAL300003589134	1	39	-2.0	-109.96	332.32	4.70	-105.26
C=C(C)CC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300003589287	0	31	-2.0	-113.26	307.39	7.34	-105.92
COC1=CC=C(C(=O)NC2=CC(C(=O)[O-])=C(Br)C=C2C)C([O-])=C1	REAL300003610143	1	35	-2.0	-134.30	317.57	7.15	-127.15
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C1=CC=C([O-])C(F)=C1	REAL300003610471	1	31	-2.0	-106.69	297.50	6.46	-100.23
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)CCC1=N[N-]N=N1	REAL300003610534	0	31	-2.0	-102.13	293.98	4.46	-97.67
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)CCC1=NN=N[N-]1	REAL300003610534	1	31	-2.0	-102.17	294.04	4.48	-97.69
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C1=CN=CC([O-])=C1	REAL300003610614	1	30	-2.0	-109.65	286.34	4.58	-105.07
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)CCCC1=N[N-]N=N1	REAL300003610966	0	34	-2.0	-116.06	315.47	5.25	-110.81
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)CCCC1=NN=N[N-]1	REAL300003610966	1	34	-2.0	-116.08	315.53	5.26	-110.82
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300003610990	0	31	-2.0	-102.93	307.30	6.95	-95.98
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C1=C[N-]N=CC1=O	REAL300003611245	0	29	-2.0	-94.40	278.58	5.01	-89.39
COCC1=NC=C(C(=O)NC2=CC(C(=O)[O-])=C(Br)C=C2C)C(=O)[N-]1	REAL300003611264	1	36	-2.0	-102.17	330.65	3.54	-98.63
CC1=C(CCC(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300003619332	1	52	-2.0	-98.75	416.31	6.76	-91.99
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1=N[N-]C3=CC=CC=C3C1=O)C2	REAL300003619431	0	36	-2.0	-97.62	313.39	6.58	-91.04
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300003619692	0	42	-2.0	-97.71	358.27	4.55	-93.16
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300003620005	0	42	-2.0	-98.68	358.34	4.77	-93.91
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1	REAL300003620054	1	44	-2.0	-105.16	381.12	9.74	-95.42
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)O1	REAL300003620504	1	45	-2.0	-91.79	383.34	3.14	-88.65
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)O1	REAL300003620505	1	36	-2.0	-91.62	329.73	0.60	-91.02
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300003620738	0	46	-2.0	-104.13	393.26	2.76	-101.37
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300003620783	0	39	-2.0	-97.34	336.87	3.88	-93.46
CC(C)C(=O)[N-]C1=NC(CC(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)=CS1	REAL300003621158	1	43	-2.0	-98.30	371.38	5.01	-93.29
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300003621392	0	39	-2.0	-92.01	343.29	3.94	-88.07
CC1=C(CC(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003621398	1	45	-2.0	-103.43	382.12	5.21	-98.22
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300003621403	0	45	-2.0	-99.15	379.84	5.55	-93.60
CC1=C(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300003621473	1	45	-2.0	-97.10	361.29	5.37	-91.73
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300003622202	0	45	-2.0	-102.13	382.86	6.13	-96.00
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1=C[N-]C3=CC=C(Br)C=C3C1=O)C2	REAL300003622217	1	37	-2.0	-89.10	336.25	7.11	-81.99
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C2	REAL300003622394	1	35	-2.0	-97.39	313.01	7.34	-90.05
CS(=O)(=O)[N-]C1=CC=C(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=N1	REAL300003622492	0	38	-2.0	-95.04	338.14	2.93	-92.11
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1=CN=C(C3CC3)[N-]C1=O)C2	REAL300003622522	1	37	-2.0	-95.97	315.41	4.38	-91.59
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N[C@H]3C[C@@H]4C[C@]4(C(=O)[O-])C3)=N2)=C1	REAL300003622577	0	48	-2.0	-110.39	397.46	7.96	-102.43
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N[C@H]3C[C@@H]4C[C@]4(C(=O)[O-])C3)=N2)C=C1	REAL300003622578	0	48	-2.0	-109.06	397.45	7.97	-101.09
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)=N1	REAL300003622652	0	42	-2.0	-105.87	365.01	7.06	-98.81
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1=NN(C3=CC=CC(F)=C3)C=C1[O-])C2	REAL300003622656	0	39	-2.0	-106.79	343.67	6.11	-100.68
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1=C([O-])C3=CC=CC=C3C=N1)C2	REAL300003622680	1	37	-2.0	-108.35	316.83	6.97	-101.38
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C2	REAL300003622699	0	39	-2.0	-85.20	359.40	4.21	-80.99
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1=CN=C(I)C([O-])=C1)C2	REAL300003622748	0	31	-2.0	-88.43	298.80	3.96	-84.47
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@H]3C[C@@H]4C[C@]4(C(=O)[O-])C3)=N2)=C1	REAL300003622810	0	42	-2.0	-113.45	362.27	6.70	-106.75
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)=N1	REAL300003622811	0	45	-2.0	-111.37	378.49	7.78	-103.59
CC1=C(CC(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003622868	1	45	-2.0	-102.02	381.39	5.15	-96.87
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C2	REAL300003622908	0	32	-2.0	-88.72	298.67	5.38	-83.34
COC1=C(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)NC(=O)[N-]C1=O	REAL300003622916	1	35	-2.0	-91.48	304.84	0.45	-91.03
CCOC1=CC(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300003623020	1	39	-2.0	-92.84	343.50	6.35	-86.49
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1=NN(C3=CC=CC=C3C(F)(F)F)C=C1[O-])C2	REAL300003623024	0	42	-2.0	-113.99	367.16	7.47	-106.52
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@H]3C[C@@H]4C[C@]4(C(=O)[O-])C3)=N2)C=C1	REAL300003623032	0	43	-2.0	-109.47	366.99	5.35	-104.12
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)=CO1	REAL300003623053	1	36	-2.0	-93.75	328.71	0.58	-93.17
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL300003623179	0	35	-2.0	-85.65	312.48	3.47	-82.18
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL300003623179	1	35	-2.0	-85.68	312.55	3.48	-82.20
COCC1=NC=C(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C(=O)[N-]1	REAL300003623445	1	37	-2.0	-94.64	317.76	1.96	-92.68
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1=CN=C(C3CCC3)[N-]C1=O)C2	REAL300003623482	1	40	-2.0	-95.55	331.27	4.93	-90.62
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C2	REAL300003623738	0	32	-2.0	-93.98	307.09	7.37	-86.61
CC1=C(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300003623995	0	40	-2.0	-100.27	341.53	4.45	-95.82
CC1=C(CCC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C(=O)NC(N2CCOCC2)=N1	REAL300003624604	0	52	-2.0	-112.65	413.01	4.90	-107.75
CC1=C(CCC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300003624604	1	52	-2.0	-112.65	413.01	4.90	-107.75
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])=C1	REAL300003624959	0	42	-2.0	-118.81	357.10	2.72	-116.09
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	REAL300003625269	0	42	-2.0	-120.12	357.17	2.94	-117.18
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C=C1	REAL300003625319	1	44	-2.0	-126.10	377.18	7.86	-118.24
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])O1	REAL300003625771	1	45	-2.0	-95.59	379.91	1.26	-94.33
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])O1	REAL300003625772	1	36	-2.0	-95.13	326.30	-1.28	-96.41
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])=C1	REAL300003626003	0	46	-2.0	-126.50	390.00	0.94	-125.56
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	REAL300003626049	0	39	-2.0	-118.42	335.71	2.04	-116.38
CC(C)C(=O)[N-]C1=NC(CC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])=CS1	REAL300003626421	1	43	-2.0	-121.04	367.91	3.14	-117.90
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	REAL300003626658	0	39	-2.0	-110.33	342.11	2.10	-108.23
CC1=C(CC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003626661	1	45	-2.0	-125.72	377.82	3.30	-122.42
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	REAL300003626664	0	45	-2.0	-120.66	378.67	3.73	-116.93
CC1=C(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300003626735	1	45	-2.0	-105.29	358.51	3.55	-101.74
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	REAL300003627499	0	45	-2.0	-123.79	381.59	4.29	-119.50
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300003627693	1	35	-2.0	-121.71	311.84	5.52	-116.19
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C=N1	REAL300003627794	0	38	-2.0	-104.54	334.75	1.07	-103.47
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300003627824	1	37	-2.0	-105.25	314.32	2.54	-102.71
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC[C@H]3CCO[C@H]3C(=O)[O-])=N2)=C1	REAL300003627878	0	48	-2.0	-132.07	394.41	6.10	-125.97
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC[C@H]3CCO[C@H]3C(=O)[O-])=N2)C=C1	REAL300003627879	0	48	-2.0	-131.15	394.40	6.10	-125.05
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])=N1	REAL300003627957	0	42	-2.0	-127.24	358.28	5.20	-122.04
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300003627962	0	39	-2.0	-128.81	342.38	4.27	-124.54
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300003627988	1	37	-2.0	-133.73	313.56	5.16	-128.57
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300003628008	0	39	-2.0	-100.66	357.86	2.37	-98.29
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1=CN=C(I)C([O-])=C1	REAL300003628057	0	31	-2.0	-102.99	297.22	2.10	-100.89
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC[C@H]3CCO[C@H]3C(=O)[O-])=N2)=C1	REAL300003628122	0	42	-2.0	-136.00	358.96	4.83	-131.17
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])=N1	REAL300003628123	0	45	-2.0	-133.30	370.24	5.99	-127.31
CC1=C(CC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003628183	1	45	-2.0	-124.29	378.01	3.29	-121.00
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300003628228	0	32	-2.0	-100.69	295.52	3.54	-97.15
COC1=C(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])NC(=O)[N-]C1=O	REAL300003628236	1	35	-2.0	-100.77	301.47	-1.38	-102.15
CCOC1=CC(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300003628342	1	39	-2.0	-104.26	340.36	4.51	-99.75
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300003628346	0	42	-2.0	-134.36	364.12	5.62	-128.74
COC1=CC=C(N2C=C([O-])C(C(=O)NC[C@H]3CCO[C@H]3C(=O)[O-])=N2)C=C1	REAL300003628354	0	43	-2.0	-131.02	363.69	3.48	-127.54
C[N-]S(=O)(=O)C1=CC(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])=CO1	REAL300003628374	1	36	-2.0	-109.17	325.45	-1.30	-110.47
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300003628505	0	35	-2.0	-92.80	309.22	1.61	-91.19
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300003628505	1	35	-2.0	-92.80	309.29	1.61	-91.19
COCC1=NC=C(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C(=O)[N-]1	REAL300003628782	1	37	-2.0	-104.34	316.41	0.13	-104.21
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300003628823	1	40	-2.0	-104.50	328.07	3.11	-101.39
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300003629083	0	32	-2.0	-116.76	305.92	5.56	-111.20
CC1=C(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300003629343	0	40	-2.0	-107.93	338.02	2.62	-105.31
CC1=C(CCC(=O)NCC(=O)NCC(=O)[O-])C(=O)NC(N2CCOCC2)=N1	REAL300003629805	0	48	-2.0	-93.17	399.62	2.07	-91.10
CC1=C(CCC(=O)NCC(=O)NCC(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300003629805	1	48	-2.0	-93.17	399.62	2.07	-91.10
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC(=O)NCC(=O)[O-])=C1	REAL300003630150	0	38	-2.0	-92.44	341.78	-0.13	-92.57
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(=O)NCC(=O)[O-]	REAL300003630457	0	38	-2.0	-93.24	341.85	0.09	-93.15
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC(=O)NCC(=O)[O-])C=C1	REAL300003630503	1	40	-2.0	-98.19	363.84	5.02	-93.17
O=C([O-])CNC(=O)CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300003630686	1	42	-2.0	-92.66	380.94	2.09	-90.57
O=C([O-])CNC(=O)CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300003630687	1	42	-2.0	-94.26	381.12	2.08	-92.18
CC1=CC(C(=O)NCC(=O)NCC(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300003630700	0	38	-2.0	-77.63	362.37	0.27	-77.36
O=C([O-])CNC(=O)CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300003630933	0	39	-2.0	-90.94	372.87	1.09	-89.85
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)NCC(=O)[O-])O1	REAL300003630952	1	41	-2.0	-87.09	366.45	-1.57	-88.66
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(=O)NCC(=O)[O-])O1	REAL300003630953	1	32	-2.0	-86.92	312.83	-4.10	-91.02
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC(=O)NCC(=O)[O-])=C1	REAL300003631191	0	42	-2.0	-99.54	376.76	-1.90	-101.44
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(=O)NCC(=O)[O-]	REAL300003631235	0	35	-2.0	-92.03	320.39	-0.81	-92.84
O=C([O-])CNC(=O)CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300003631243	0	39	-2.0	-92.65	373.05	1.10	-91.55
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC(=O)NCC(=O)[O-])=CS1	REAL300003631595	1	39	-2.0	-92.31	354.57	0.31	-92.00
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCC(=O)NCC(=O)[O-]	REAL300003631810	0	35	-2.0	-86.89	326.80	-0.74	-87.63
CC1=C(CC(=O)NCC(=O)NCC(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003631817	1	41	-2.0	-97.88	365.43	0.51	-97.37
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(=O)NCC(=O)[O-]	REAL300003631822	0	41	-2.0	-93.67	363.35	0.88	-92.79
CC1=C(C(=O)NCC(=O)NCC(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300003631885	1	41	-2.0	-92.44	344.47	0.70	-91.74
O=C([O-])CNC(=O)CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300003631982	1	42	-2.0	-88.61	381.10	2.08	-86.53
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NCC(=O)NCC(=O)[O-]	REAL300003632540	0	41	-2.0	-96.65	366.27	1.46	-95.19
O=C([O-])CNC(=O)CNC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300003632712	1	31	-2.0	-91.45	296.54	2.68	-88.77
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC(=O)NCC(=O)[O-])C=N1	REAL300003632802	0	34	-2.0	-89.99	321.44	-1.78	-91.77
O=C([O-])CNC(=O)CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300003632864	1	41	-2.0	-84.99	376.14	0.31	-84.68
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCC(=O)NCC(=O)[O-])=N2)=C1	REAL300003632879	0	44	-2.0	-105.68	381.03	3.28	-102.40
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC(=O)NCC(=O)[O-])=N2)C=C1	REAL300003632880	0	44	-2.0	-104.12	380.96	3.28	-100.84
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC(=O)NCC(=O)[O-])=N1	REAL300003632948	0	38	-2.0	-101.03	348.50	2.38	-98.65
O=C([O-])CNC(=O)CNC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300003632952	0	35	-2.0	-101.79	327.18	1.43	-100.36
O=C([O-])CNC(=O)CNC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300003632974	1	33	-2.0	-103.19	300.34	2.31	-100.88
O=C([O-])CNC(=O)CNC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300003632992	0	35	-2.0	-79.07	342.66	-0.47	-79.54
O=C([O-])CNC(=O)CNC(=O)C1=CN=C(I)C([O-])=C1	REAL300003633033	0	27	-2.0	-82.61	281.90	-0.74	-83.35
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC(=O)NCC(=O)[O-])=N2)=C1	REAL300003633085	0	38	-2.0	-108.27	345.52	2.01	-106.26
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC(=O)NCC(=O)[O-])=N1	REAL300003633086	0	41	-2.0	-106.50	362.03	3.09	-103.41
CC1=C(CC(=O)NCC(=O)NCC(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003633131	1	41	-2.0	-96.49	364.70	0.45	-96.04
O=C([O-])CNC(=O)CNC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300003633166	0	28	-2.0	-83.29	282.20	0.69	-82.60
COC1=C(C(=O)NCC(=O)NCC(=O)[O-])NC(=O)[N-]C1=O	REAL300003633170	1	31	-2.0	-86.46	288.35	-4.22	-90.68
CCOC1=CC(C(=O)NCC(=O)NCC(=O)[O-])=CC(Cl)=C1[O-]	REAL300003633253	1	35	-2.0	-87.57	327.05	1.66	-85.91
O=C([O-])CNC(=O)CNC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300003633257	0	38	-2.0	-109.45	350.67	2.80	-106.65
COC1=CC=C(N2C=C([O-])C(C(=O)NCC(=O)NCC(=O)[O-])=N2)C=C1	REAL300003633265	0	39	-2.0	-104.12	350.25	0.66	-103.46
C[N-]S(=O)(=O)C1=CC(C(=O)NCC(=O)NCC(=O)[O-])=CO1	REAL300003633282	1	32	-2.0	-87.27	311.97	-4.11	-91.38
O=C([O-])CNC(=O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300003633404	0	31	-2.0	-80.54	295.74	-1.23	-81.77
O=C([O-])CNC(=O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300003633404	1	31	-2.0	-80.52	295.81	-1.22	-81.74
O=C([O-])CNC(=O)CNC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300003633677	1	36	-2.0	-91.21	315.00	0.19	-91.02
O=C([O-])CNC(=O)CNC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300003633898	0	28	-2.0	-88.47	290.60	2.72	-85.75
CC1=C(C(=O)NCC(=O)NCC(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300003634133	0	36	-2.0	-95.49	324.70	-0.22	-95.71
CC1=C(CCC(=O)N2CCOC(C)(C(=O)[O-])C2)C(=O)NC(N2CCOCC2)=N1	REAL300003634950	0	52	-2.0	-102.04	408.48	6.50	-95.54
CC1=C(CCC(=O)N2CCOC(C)(C(=O)[O-])C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300003634950	1	52	-2.0	-102.04	408.48	6.50	-95.54
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCOC(C)(C(=O)[O-])C2)=C1	REAL300003635305	0	42	-2.0	-104.62	351.38	3.77	-100.85
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300003635615	0	42	-2.0	-102.07	351.33	3.98	-98.09
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCOC(C)(C(=O)[O-])C2)C=C1	REAL300003635665	1	44	-2.0	-112.56	371.92	9.35	-103.21
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCOC(C)(C(=O)[O-])C2)O1	REAL300003636117	1	45	-2.0	-88.72	373.07	2.71	-86.01
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCOC(C)(C(=O)[O-])C2)O1	REAL300003636118	1	36	-2.0	-88.05	317.62	0.31	-87.74
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCOC(C)(C(=O)[O-])C2)=C1	REAL300003636349	0	46	-2.0	-109.86	386.72	1.98	-107.88
CC1(C(=O)[O-])CN(C(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)CCO1	REAL300003636395	0	39	-2.0	-104.15	330.06	3.06	-101.09
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCOC(C)(C(=O)[O-])C2)=CS1	REAL300003636767	1	43	-2.0	-107.45	362.31	4.70	-102.75
CC1(C(=O)[O-])CN(C(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)CCO1	REAL300003637004	0	39	-2.0	-97.38	336.38	3.16	-94.22
CC1=C(CC(=O)N2CCOC(C)(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003637007	1	45	-2.0	-112.01	372.23	4.86	-107.15
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300003637010	0	45	-2.0	-102.58	372.82	4.77	-97.81
CC1=C(C(=O)N2CCOC(C)(C(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300003637081	1	45	-2.0	-105.62	361.75	4.45	-101.17
CC1(C(=O)[O-])CN(C(=O)C2=CC3=CC=CC=C3C=C2[N-]S(C)(=O)=O)CCO1	REAL300003637845	0	45	-2.0	-104.27	372.68	5.23	-99.04
CC1(C(=O)[O-])CN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CCO1	REAL300003638039	1	35	-2.0	-98.54	305.97	5.56	-92.98
CC1(C(=O)[O-])CN(C(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)CCO1	REAL300003638140	0	38	-2.0	-98.29	328.16	2.25	-96.04
CC1(C(=O)[O-])CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)CCO1	REAL300003638170	1	37	-2.0	-103.16	313.18	3.63	-99.53
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCOC(C)(C(=O)[O-])C3)=N2)=C1	REAL300003638224	0	48	-2.0	-117.07	385.48	7.85	-109.22
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCOC(C)(C(=O)[O-])C3)=N2)C=C1	REAL300003638225	0	48	-2.0	-116.13	385.72	7.90	-108.23
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCOC(C)(C(=O)[O-])C2)=N1	REAL300003638303	0	42	-2.0	-112.53	358.07	6.40	-106.13
CC1(C(=O)[O-])CN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CCO1	REAL300003638308	0	39	-2.0	-114.79	331.63	6.00	-108.79
CC1(C(=O)[O-])CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)CCO1	REAL300003638334	1	37	-2.0	-117.55	307.52	6.64	-110.91
CC1(C(=O)[O-])CN(C(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)CCO1	REAL300003638354	0	39	-2.0	-88.22	349.58	3.53	-84.69
CC1(C(=O)[O-])CN(C(=O)C2=CN=C(I)C([O-])=C2)CCO1	REAL300003638403	0	31	-2.0	-92.29	288.64	3.17	-89.12
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCOC(C)(C(=O)[O-])C3)=N2)=C1	REAL300003638468	0	42	-2.0	-120.55	350.28	6.62	-113.93
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCOC(C)(C(=O)[O-])C2)=N1	REAL300003638469	0	45	-2.0	-118.75	366.68	7.72	-111.03
CC1=C(CC(=O)N2CCOC(C)(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003638529	1	45	-2.0	-110.60	372.40	4.85	-105.75
CC1(C(=O)[O-])CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)CCO1	REAL300003638574	0	32	-2.0	-89.32	287.92	4.67	-84.65
COC1=C(C(=O)N2CCOC(C)(C(=O)[O-])C2)NC(=O)[N-]C1=O	REAL300003638582	1	35	-2.0	-90.25	302.03	-1.35	-91.60
CCOC1=CC(C(=O)N2CCOC(C)(C(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300003638688	1	39	-2.0	-93.68	332.98	5.64	-88.04
CC1(C(=O)[O-])CN(C(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])CCO1	REAL300003638692	0	42	-2.0	-118.83	360.31	6.81	-112.02
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCOC(C)(C(=O)[O-])C3)=N2)C=C1	REAL300003638700	0	43	-2.0	-116.42	354.70	5.23	-111.19
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCOC(C)(C(=O)[O-])C2)=CO1	REAL300003638720	1	36	-2.0	-90.27	317.24	0.00	-90.27
CC1(C(=O)[O-])CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCO1	REAL300003638851	0	35	-2.0	-85.53	300.47	3.62	-81.91
CC1(C(=O)[O-])CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCO1	REAL300003638851	1	35	-2.0	-85.49	300.54	3.62	-81.87
COCC1=NC=C(C(=O)N2CCOC(C)(C(=O)[O-])C2)C(=O)[N-]1	REAL300003639128	1	37	-2.0	-98.21	311.59	1.13	-97.08
CC1(C(=O)[O-])CN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)CCO1	REAL300003639169	1	40	-2.0	-97.69	322.46	4.09	-93.60
CC1(C(=O)[O-])CN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCO1	REAL300003639429	0	32	-2.0	-101.50	299.69	5.77	-95.73
CC1=C(C(=O)N2CCOC(C)(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300003639689	0	40	-2.0	-107.90	342.06	3.53	-104.37
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2=CC=C(O)C=C2C(=O)[O-])C=C1	REAL300003642285	1	41	-2.0	-102.22	367.27	7.37	-94.85
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(O)C=C2C(=O)[O-])O1	REAL300003642648	1	42	-2.0	-104.72	371.18	0.76	-103.96
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(O)C=C2C(=O)[O-])O1	REAL300003642649	1	33	-2.0	-103.56	315.72	-1.64	-105.20
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=CC=C(O)C=C2C(=O)[O-])=CS1	REAL300003643145	1	40	-2.0	-98.74	356.31	2.70	-96.04
CC1=C(CC(=O)NC2=CC=C(O)C=C2C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003643340	1	42	-2.0	-104.34	367.42	2.92	-101.42
COC1=CC=C(C(=O)NC2=CC=C(O)C=C2C(=O)[O-])C([O-])=C1	REAL300003643777	1	33	-2.0	-107.83	288.98	3.24	-104.59
O=C([O-])C1=CC(O)=CC=C1NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300003644200	1	32	-2.0	-102.14	299.42	5.02	-97.12
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=C(O)C=C2C(=O)[O-])C=N1	REAL300003644284	0	35	-2.0	-104.91	324.32	0.68	-104.23
O=C([O-])C1=CC(O)=CC=C1NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300003644305	1	34	-2.0	-114.94	302.76	2.11	-112.83
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3=CC=C(O)C=C3C(=O)[O-])=N2)=C1	REAL300003644356	0	45	-2.0	-124.37	384.16	5.68	-118.69
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(O)C=C3C(=O)[O-])=N2)C=C1	REAL300003644357	0	45	-2.0	-121.67	384.09	5.68	-115.99
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(O)C=C2C(=O)[O-])=N1	REAL300003644415	0	39	-2.0	-116.00	346.23	4.79	-111.21
O=C([O-])C1=CC(O)=CC=C1NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300003644420	0	36	-2.0	-117.37	330.31	3.83	-113.54
O=C([O-])C1=CC(O)=CC=C1NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300003644443	0	34	-2.0	-120.28	303.24	4.67	-115.61
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC=C(O)C=C3C(=O)[O-])=N2)=C1	REAL300003644563	0	39	-2.0	-123.07	347.41	4.40	-118.67
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(O)C=C2C(=O)[O-])=N1	REAL300003644564	0	42	-2.0	-121.91	357.70	5.57	-116.34
CC1=C(CC(=O)NC2=CC=C(O)C=C2C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003644613	1	42	-2.0	-102.59	367.61	2.91	-99.68
O=C([O-])C1=CC(O)=CC=C1NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300003644655	0	29	-2.0	-92.77	283.95	3.07	-89.70
O=C([O-])C1=CC(O)=CC=C1NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300003644750	0	29	-2.0	-93.72	277.74	3.02	-90.70
CCOC1=CC(C(=O)NC2=CC=C(O)C=C2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300003644753	1	36	-2.0	-97.98	328.79	4.05	-93.93
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(O)C=C3C(=O)[O-])=N2)C=C1	REAL300003644761	0	40	-2.0	-121.28	353.37	3.06	-118.22
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=C(O)C=C2C(=O)[O-])=CO1	REAL300003644775	1	33	-2.0	-92.86	315.10	-1.71	-94.57
O=C([O-])C1=CC(O)=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300003644900	0	32	-2.0	-91.93	298.64	1.22	-90.71
O=C([O-])C1=CC(O)=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300003644900	1	32	-2.0	-91.90	298.71	1.23	-90.67
COCC1=NC=C(C(=O)NC2=CC=C(O)C=C2C(=O)[O-])C(=O)[N-]1	REAL300003645140	1	34	-2.0	-113.12	304.61	-0.23	-113.35
O=C([O-])C1=CC(O)=CC=C1NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300003645178	1	37	-2.0	-115.09	318.51	2.66	-112.43
O=C([O-])C1=CC(O)=CC=C1NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300003645401	0	29	-2.0	-100.25	293.48	5.06	-95.19
CC1=C(CCC(=O)NC(C)(CC(=O)[O-])C2CC2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300003646501	1	54	-2.0	-104.32	413.94	6.54	-97.78
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC(C)(CC(=O)[O-])C2CC2)C=C1	REAL300003647051	1	46	-2.0	-117.35	381.06	10.07	-107.28
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C)(CC(=O)[O-])C2CC2)O1	REAL300003647412	1	47	-2.0	-88.83	380.34	3.35	-85.48
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C)(CC(=O)[O-])C2CC2)O1	REAL300003647413	1	38	-2.0	-88.30	326.72	0.82	-87.48
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(C)(CC(=O)[O-])C2CC2)=CS1	REAL300003647912	1	45	-2.0	-108.17	368.46	5.23	-102.94
CC1=C(CC(=O)NC(C)(CC(=O)[O-])C2CC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003648104	1	47	-2.0	-111.44	378.82	4.93	-106.51
CC(CC(=O)[O-])(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1CC1	REAL300003648878	1	37	-2.0	-109.92	310.40	7.43	-102.49
CC(CC(=O)[O-])(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C1CC1	REAL300003648954	0	40	-2.0	-95.80	335.33	3.15	-92.65
CC(CC(=O)[O-])(NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C1CC1	REAL300003648972	1	39	-2.0	-96.51	312.62	4.54	-91.97
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC(C)(CC(=O)[O-])C3CC3)=N2)=C1	REAL300003649020	0	50	-2.0	-121.27	394.87	8.18	-113.09
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(C)(CC(=O)[O-])C3CC3)=N2)C=C1	REAL300003649021	0	50	-2.0	-120.46	394.85	8.18	-112.28
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(C)(CC(=O)[O-])C2CC2)=N1	REAL300003649073	0	44	-2.0	-117.33	362.31	7.28	-110.05
CC(CC(=O)[O-])(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1CC1	REAL300003649078	0	41	-2.0	-118.52	341.02	6.33	-112.19
CC(CC(=O)[O-])(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1CC1	REAL300003649096	1	39	-2.0	-121.21	314.23	7.05	-114.16
CC(CC(=O)[O-])(NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C1CC1	REAL300003649114	0	41	-2.0	-90.63	356.98	4.00	-86.63
CC(CC(=O)[O-])(NC(=O)C1=CN=C(I)C([O-])=C1)C1CC1	REAL300003649154	0	33	-2.0	-93.42	296.21	3.73	-89.69
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(C)(CC(=O)[O-])C3CC3)=N2)=C1	REAL300003649202	0	44	-2.0	-125.30	359.42	6.91	-118.39
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(C)(CC(=O)[O-])C2CC2)=N1	REAL300003649203	0	47	-2.0	-123.64	376.04	8.00	-115.64
CC1=C(CC(=O)NC(C)(CC(=O)[O-])C2CC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003649245	1	47	-2.0	-110.12	378.60	5.38	-104.74
CC(CC(=O)[O-])(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1CC1	REAL300003649280	0	34	-2.0	-91.44	296.10	5.62	-85.82
COC1=C(C(=O)NC(C)(CC(=O)[O-])C2CC2)NC(=O)[N-]C1=O	REAL300003649286	1	37	-2.0	-92.41	302.77	0.14	-92.27
CCOC1=CC(C(=O)NC(C)(CC(=O)[O-])C2CC2)=CC(Cl)=C1[O-]	REAL300003649364	1	41	-2.0	-94.71	341.36	6.16	-88.55
CC(CC(=O)[O-])(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C1CC1	REAL300003649367	0	44	-2.0	-124.27	364.56	7.69	-116.58
COC1=CC=C(N2C=C([O-])C(C(=O)NC(C)(CC(=O)[O-])C3CC3)=N2)C=C1	REAL300003649372	0	45	-2.0	-120.05	364.09	5.56	-114.49
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C)(CC(=O)[O-])C2CC2)=CO1	REAL300003649383	1	38	-2.0	-98.71	326.28	0.37	-98.34
CC(CC(=O)[O-])(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL300003649489	0	37	-2.0	-84.88	309.64	3.69	-81.19
CC(CC(=O)[O-])(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL300003649489	1	37	-2.0	-84.88	309.71	3.70	-81.18
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CC(CC(=O)[O-])(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1CC1	REAL300003649734	1	42	-2.0	-96.50	328.37	5.08	-91.42
CC(CC(=O)[O-])(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CC1	REAL300003649929	0	34	-2.0	-104.72	304.98	7.07	-97.65
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CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(C=CC(=O)[O-])C=C1	REAL300003653280	1	42	-2.0	-102.26	369.76	6.32	-95.94
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CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(C=CC(=O)[O-])C=C2)O1	REAL300003653755	1	45	-2.0	-89.33	396.17	4.53	-84.80
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(C=CC(=O)[O-])C=C2)O1	REAL300003653756	1	36	-2.0	-89.05	340.72	2.13	-86.92
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(C=CC(=O)[O-])C=C1	REAL300003654025	0	39	-2.0	-100.97	348.29	5.42	-95.55
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=CC=C(C=CC(=O)[O-])C=C2)=CS1	REAL300003654374	1	43	-2.0	-107.43	382.49	6.53	-100.90
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1=CC=C(C=CC(=O)[O-])C=C1	REAL300003654608	0	39	-2.0	-97.95	354.70	5.49	-92.46
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CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(C=CC(=O)[O-])C=C1	REAL300003654614	1	45	-2.0	-102.73	391.26	7.11	-95.62
CC1=C(C(=O)NC2=CC=C(C=CC(=O)[O-])C=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300003654697	1	45	-2.0	-91.03	371.56	7.00	-84.03
COC1=CC=C(C(=O)NC2=CC=C(C=CC(=O)[O-])C=C2)C([O-])=C1	REAL300003655184	1	36	-2.0	-114.49	315.14	7.12	-107.37
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CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3=CC=C(C=CC(=O)[O-])C=C3)=N2)=C1	REAL300003655942	0	48	-2.0	-110.88	408.93	9.48	-101.40
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(C=CC(=O)[O-])C=C3)=N2)C=C1	REAL300003655943	0	48	-2.0	-109.93	408.86	9.48	-100.45
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(C=CC(=O)[O-])C=C2)=N1	REAL300003656035	0	42	-2.0	-111.54	376.32	8.58	-102.96
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CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC=C(C=CC(=O)[O-])C=C3)=N2)=C1	REAL300003656237	0	42	-2.0	-114.67	373.42	8.21	-106.46
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(C=CC(=O)[O-])C=C2)=N1	REAL300003656238	0	45	-2.0	-116.57	389.78	9.31	-107.26
CC1=C(CC(=O)NC2=CC=C(C=CC(=O)[O-])C=C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003656315	1	45	-2.0	-107.89	392.62	6.67	-101.22
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CCOC1=CC(C(=O)NC2=CC=C(C=CC(=O)[O-])C=C2)=CC(Cl)=C1[O-]	REAL300003656526	1	39	-2.0	-95.86	354.95	7.89	-87.97
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(C=CC(=O)[O-])C=C3)=N2)C=C1	REAL300003656537	0	43	-2.0	-109.97	378.15	6.86	-103.11
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=C(C=CC(=O)[O-])C=C2)=CO1	REAL300003656561	1	36	-2.0	-101.58	339.87	2.11	-99.47
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COCC1=NC=C(C(=O)NC2=CC=C(C=CC(=O)[O-])C=C2)C(=O)[N-]1	REAL300003657048	1	37	-2.0	-89.05	329.39	3.59	-85.46
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C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(SCC(=O)[O-])C(F)(F)F)O1	REAL300003659037	1	35	-2.0	-93.77	351.61	0.39	-93.38
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COC1=C(C(=O)NCC(SCC(=O)[O-])C(F)(F)F)NC(=O)[N-]C1=O	REAL300003661217	1	34	-2.0	-92.94	327.12	0.27	-92.67
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C[N-]S(=O)(=O)C1=CC(C(=O)NCC(SCC(=O)[O-])C(F)(F)F)=CO1	REAL300003661371	1	35	-2.0	-92.28	350.74	0.38	-91.90
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COCC1=NC=C(C(=O)NCC(SCC(=O)[O-])C(F)(F)F)C(=O)[N-]1	REAL300003661791	1	36	-2.0	-94.53	339.85	1.77	-92.76
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C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC(=O)[O-])C2=CC=CC(C)=C2)O1	REAL300003665471	1	41	-2.0	-100.25	375.42	3.14	-97.11
CC1=CC=CC(C(CC(=O)[O-])NC(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)=C1	REAL300003665923	1	48	-2.0	-114.92	410.40	6.75	-108.17
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C2=CC=C([O-])C(F)=C2)=C1	REAL300003667005	1	37	-2.0	-102.04	329.05	7.30	-94.74
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])=C1	REAL300003667016	1	40	-2.0	-116.29	352.25	9.10	-107.19
CC1=CC=CC(C(CC(=O)[O-])NC(=O)CCC2=N[N-]N=N2)=C1	REAL300003667050	0	37	-2.0	-97.22	326.50	5.34	-91.88
CC1=CC=CC(C(CC(=O)[O-])NC(=O)CCC2=NN=N[N-]2)=C1	REAL300003667050	1	37	-2.0	-97.26	326.56	5.36	-91.90
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)=C1	REAL300003667121	0	43	-2.0	-101.06	377.22	4.67	-96.39
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C2=CN=C(C3CC3)[N-]C2=O)=C1	REAL300003667146	1	42	-2.0	-104.03	354.99	6.11	-97.92
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C2=CN=CC([O-])=C2)=C1	REAL300003667183	1	36	-2.0	-102.66	310.89	4.70	-97.96
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C2=NN(C3=CC=C(F)C=C3C)C=C2[O-])=C1	REAL300003667264	0	47	-2.0	-127.38	410.75	9.67	-117.71
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])=C1	REAL300003667269	0	44	-2.0	-127.73	390.03	8.58	-119.15
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)=C1	REAL300003667300	1	42	-2.0	-129.08	356.05	8.72	-120.36
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C2=NN(C3=CC(C)=CC=C3F)C=C2[O-])=C1	REAL300003667438	0	47	-2.0	-135.61	408.37	9.16	-126.45
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CC(=O)[O-])C2=CC=CC(C)=C2)=N1	REAL300003667439	0	50	-2.0	-134.14	424.96	10.33	-123.81
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)=C1	REAL300003667550	0	37	-2.0	-95.95	338.05	7.15	-88.80
COC1=C(C(=O)NC(CC(=O)[O-])C2=CC=CC(C)=C2)NC(=O)[N-]C1=O	REAL300003667561	1	40	-2.0	-101.32	350.96	2.89	-98.43
CC1=CC=CC(C(CC(=O)[O-])NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300003667641	0	40	-2.0	-106.56	340.85	5.41	-101.15
CC1=CC=CC(C(CC(=O)[O-])NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300003667641	1	40	-2.0	-106.56	340.91	5.43	-101.13
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C2=CC=C([O-])C(Cl)=C2)=C1	REAL300003667673	0	37	-2.0	-99.42	338.85	7.79	-91.63
CCOC1=CC(C(=O)NC(CC(=O)[O-])C2=CC=CC(C)=C2)=CC(Cl)=C1[O-]	REAL300003667677	1	44	-2.0	-103.65	389.75	8.93	-94.72
COC1=CC=C(N2C=C([O-])C(C(=O)NC(CC(=O)[O-])C3=CC=CC(C)=C3)=N2)C=C1	REAL300003667683	0	48	-2.0	-130.96	413.10	7.81	-123.15
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CC(=O)[O-])C2=CC=CC(C)=C2)=CO1	REAL300003667699	1	41	-2.0	-103.20	367.81	2.33	-100.87
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300003667839	0	40	-2.0	-89.24	351.45	5.20	-84.04
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300003667839	1	40	-2.0	-89.25	351.52	5.21	-84.04
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C2=C[N-]N=CC2=O)=C1	REAL300003668077	0	35	-2.0	-95.19	303.09	5.14	-90.05
COCC1=NC=C(C(=O)NC(CC(=O)[O-])C2=CC=CC(C)=C2)C(=O)[N-]1	REAL300003668101	1	42	-2.0	-116.58	356.11	4.90	-111.68
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)=C1	REAL300003668144	1	45	-2.0	-104.11	370.75	6.66	-97.45
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CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)N[C@H](C)CC(=O)[O-])=C2)=C1	REAL300003681924	1	44	-2.0	-108.70	385.04	6.03	-102.67
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)N[C@H](C)CC(=O)[O-])=C2)=C1	REAL300003681925	1	47	-2.0	-108.68	401.11	6.72	-101.96
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)N[C@H](C)CC(=O)[O-])=C2)=C1	REAL300003681930	1	47	-2.0	-108.04	400.53	6.80	-101.24
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300003681993	0	41	-2.0	-121.04	359.30	1.38	-119.66
C[C@H](CC(=O)[O-])NC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O	REAL300003682036	0	34	-2.0	-108.91	302.90	2.49	-106.42
C[C@H](CC(=O)[O-])NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300003682046	0	38	-2.0	-106.28	355.57	4.38	-101.90
C[C@H](CC(=O)[O-])NC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300003682047	0	41	-2.0	-107.10	380.22	5.05	-102.05
CC(C)C(=O)[N-]C1=NC(CC(=O)N[C@H](C)CC(=O)[O-])=CS1	REAL300003682318	1	38	-2.0	-108.60	337.11	3.59	-105.01
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N[C@H](C)CC(=O)[O-])C=C2)C=C1	REAL300003682383	1	45	-2.0	-96.60	393.15	4.67	-91.93
C[C@H](CC(=O)[O-])NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O	REAL300003682461	0	34	-2.0	-102.75	309.31	2.56	-100.19
CC1=C(CC(=O)N[C@H](C)CC(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003682471	1	40	-2.0	-121.74	347.03	3.73	-118.01
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@H](C)CC(=O)[O-]	REAL300003682474	0	40	-2.0	-111.07	345.86	4.17	-106.90
C[C@H](CC(=O)[O-])NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300003682611	1	41	-2.0	-97.63	363.63	5.36	-92.27
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300003682613	0	47	-2.0	-117.39	398.05	7.10	-110.29
C[C@H](CC(=O)[O-])NC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O	REAL300003682928	0	40	-2.0	-113.82	348.79	4.75	-109.07
C[C@H](CC(=O)[O-])NC(=O)C1=CC(Br)=C([O-])C(Br)=C1	REAL300003682997	0	27	-2.0	-91.75	283.28	4.70	-87.05
C[C@H](CC(=O)[O-])NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300003683093	0	33	-2.0	-102.86	303.95	1.52	-101.34
C[C@H](CC(=O)[O-])NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300003683135	1	40	-2.0	-93.67	358.67	3.61	-90.06
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N[C@H](C)CC(=O)[O-])=N2)=C1	REAL300003683148	0	43	-2.0	-127.67	363.54	6.56	-121.11
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N[C@H](C)CC(=O)[O-])=N2)C=C1	REAL300003683149	0	43	-2.0	-125.68	363.48	6.56	-119.12
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@H](C)CC(=O)[O-])=N1	REAL300003683184	0	37	-2.0	-120.98	325.59	5.63	-115.35
C[C@H](CC(=O)[O-])NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300003683187	0	34	-2.0	-122.48	309.70	4.70	-117.78
C[C@H](CC(=O)[O-])NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300003683207	0	34	-2.0	-91.45	325.17	2.81	-88.64
C[C@H](CC(=O)[O-])NC(=O)C1=CN=C(I)C([O-])=C1	REAL300003683228	0	26	-2.0	-95.94	264.41	2.53	-93.41
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@H](C)CC(=O)[O-])=N2)=C1	REAL300003683261	0	37	-2.0	-129.99	328.04	5.29	-124.70
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@H](C)CC(=O)[O-])=N1	REAL300003683262	0	40	-2.0	-127.47	337.56	6.43	-121.04
CC1=C(CC(=O)N[C@H](C)CC(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003683278	1	40	-2.0	-120.46	347.21	3.72	-116.74
CCOC1=CC(C(=O)N[C@H](C)CC(=O)[O-])=CC(Cl)=C1[O-]	REAL300003683335	1	34	-2.0	-99.96	309.56	4.96	-95.00
C[C@H](CC(=O)[O-])NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300003683339	0	37	-2.0	-131.61	333.18	6.07	-125.54
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@H](C)CC(=O)[O-])=N2)C=C1	REAL300003683348	0	38	-2.0	-125.33	332.77	3.94	-121.39
CC1=C(C(=O)N[C@H](C)CC(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300003683811	0	35	-2.0	-113.79	307.15	3.06	-110.73
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3=CC=C([O-])C(F)=C3)CC2)=N1	REAL300003685787	1	40	-2.0	-94.39	348.48	6.29	-88.10
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)=N1	REAL300003685854	0	40	-2.0	-90.96	347.22	4.73	-86.23
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=N1	REAL300003685854	1	40	-2.0	-90.97	347.28	4.74	-86.23
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)CC2)=N1	REAL300003685921	1	45	-2.0	-104.78	389.06	5.79	-98.99
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3=CN=CC([O-])=C3)CC2)=N1	REAL300003685936	1	39	-2.0	-97.65	337.77	4.33	-93.32
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3=C([O-])C4=CC=CC=C4C=N3)CC2)=N1	REAL300003686030	1	45	-2.0	-108.48	380.98	9.24	-99.24
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)CC2)=N1	REAL300003686235	0	40	-2.0	-91.81	365.76	6.87	-84.94
COC1=C(C(=O)N2CCC(C3=NC(C)=C(C(=O)[O-])S3)CC2)NC(=O)[N-]C1=O	REAL300003686253	1	43	-2.0	-93.71	378.22	0.83	-92.88
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)=N1	REAL300003686322	0	43	-2.0	-97.89	368.79	5.52	-92.37
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)=N1	REAL300003686322	1	43	-2.0	-97.96	368.84	5.53	-92.43
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3=CC=C([O-])C(Cl)=C3)CC2)=N1	REAL300003686347	0	40	-2.0	-91.12	358.30	6.76	-84.36
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)=N1	REAL300003686459	0	43	-2.0	-86.39	376.46	5.77	-80.62
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)=N1	REAL300003686459	1	43	-2.0	-86.32	376.53	5.77	-80.55
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3=C[N-]N=CC3=O)CC2)=N1	REAL300003686622	0	38	-2.0	-87.39	336.55	4.78	-82.61
COCC1=NC=C(C(=O)N2CCC(C3=NC(C)=C(C(=O)[O-])S3)CC2)C(=O)[N-]1	REAL300003686642	1	45	-2.0	-95.38	390.57	3.35	-92.03
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300003689236	1	38	-2.0	-98.77	342.95	4.85	-93.92
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(F)C(C(=O)[O-])=C1	REAL300003689551	1	38	-2.0	-124.30	343.04	5.07	-119.23
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300003689601	1	40	-2.0	-137.48	365.00	10.02	-127.46
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)O1	REAL300003690044	1	41	-2.0	-99.55	367.62	3.40	-96.15
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)O1	REAL300003690045	1	32	-2.0	-98.75	313.70	0.87	-97.88
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(F)C(C(=O)[O-])=C1	REAL300003690318	0	35	-2.0	-122.60	321.57	4.17	-118.43
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)=CS1	REAL300003690687	1	39	-2.0	-126.41	355.46	5.29	-121.12
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1=CC=C(F)C(C(=O)[O-])=C1	REAL300003690923	0	35	-2.0	-93.17	327.97	4.24	-88.93
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(F)C(C(=O)[O-])=C1	REAL300003690929	1	41	-2.0	-124.97	364.54	5.86	-119.11
COC1=CC=C(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C([O-])=C1	REAL300003691496	1	32	-2.0	-106.10	288.41	5.87	-100.23
O=C([O-])C1=CC(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])=CC=C1F	REAL300003692040	1	31	-2.0	-126.85	297.40	7.54	-119.31
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C=N1	REAL300003692148	0	34	-2.0	-107.79	322.32	3.21	-104.58
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3=CC=C(F)C(C(=O)[O-])=C3)=N2)=C1	REAL300003692239	0	44	-2.0	-134.81	381.91	8.25	-126.56
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(F)C(C(=O)[O-])=C3)=N2)C=C1	REAL300003692240	0	44	-2.0	-134.53	382.14	8.23	-126.30
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)=N1	REAL300003692330	0	38	-2.0	-105.94	349.15	7.37	-98.57
O=C([O-])C1=CC(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])=CC=C1F	REAL300003692335	0	35	-2.0	-108.41	328.35	6.37	-102.04
O=C([O-])C1=CC(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)=CC=C1F	REAL300003692366	0	33	-2.0	-135.27	301.51	7.18	-128.09
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC=C(F)C(C(=O)[O-])=C3)=N2)=C1	REAL300003692519	0	38	-2.0	-139.19	346.40	6.98	-132.21
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)=N1	REAL300003692520	0	41	-2.0	-110.06	356.07	8.12	-101.94
O=C([O-])C1=CC(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)=CC=C1F	REAL300003692641	0	28	-2.0	-104.53	283.12	5.66	-98.87
O=C([O-])C1=CC(NC(=O)C2=CC=C([O-])C(Cl)=C2)=CC=C1F	REAL300003692777	0	28	-2.0	-89.51	277.17	5.59	-83.92
CCOC1=CC(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)=CC(Cl)=C1[O-]	REAL300003692780	1	35	-2.0	-107.97	327.97	6.64	-101.33
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(F)C(C(=O)[O-])=C3)=N2)C=C1	REAL300003692792	0	39	-2.0	-134.36	351.43	5.61	-128.75
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)=CO1	REAL300003692815	1	32	-2.0	-116.34	313.15	0.85	-115.49
O=C([O-])C1=CC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)=CC=C1F	REAL300003692905	0	36	-2.0	-96.71	325.35	9.55	-87.16
O=C([O-])C1=CC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)=CC=C1F	REAL300003692905	1	36	-2.0	-96.69	325.30	9.56	-87.13
O=C([O-])C1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=C1F	REAL300003692972	0	31	-2.0	-97.19	296.98	3.75	-93.44
O=C([O-])C1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC=C1F	REAL300003692972	1	31	-2.0	-97.21	296.91	3.73	-93.48
COCC1=NC=C(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C(=O)[N-]1	REAL300003693291	1	33	-2.0	-94.97	302.18	2.27	-92.70
O=C([O-])C1=CC(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=CC=C1F	REAL300003693633	0	28	-2.0	-121.66	291.78	7.59	-114.07
CC1=C(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300003693933	1	36	-2.0	-106.09	325.63	4.75	-101.34
CC1=C(CCC(=O)N2CCC(O)(C(=O)[O-])C2)C(=O)NC(N2CCOCC2)=N1	REAL300003694841	0	49	-2.0	-100.00	395.34	3.83	-96.17
CC1=C(CCC(=O)N2CCC(O)(C(=O)[O-])C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300003694841	1	49	-2.0	-100.00	395.34	3.83	-96.17
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC(O)(C(=O)[O-])C2)=C1	REAL300003695187	0	39	-2.0	-97.37	331.97	1.16	-96.21
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(O)(C(=O)[O-])C1	REAL300003695497	0	39	-2.0	-105.00	335.45	1.36	-103.64
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCC(O)(C(=O)[O-])C2)C=C1	REAL300003695543	1	41	-2.0	-108.22	359.82	6.77	-101.45
O=C([O-])C1(O)CCN(C(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3)C=C2)C1	REAL300003695725	1	43	-2.0	-96.61	373.09	3.44	-93.17
O=C([O-])C1(O)CCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)C1	REAL300003695726	1	43	-2.0	-95.34	371.81	3.35	-91.99
CC1=CC(C(=O)N2CCC(O)(C(=O)[O-])C2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300003695739	0	39	-2.0	-86.16	352.75	1.55	-84.61
O=C([O-])C1(O)CCN(C(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CS3)C=C2)C1	REAL300003695970	0	40	-2.0	-101.51	363.32	2.37	-99.14
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(O)(C(=O)[O-])C2)O1	REAL300003695989	1	42	-2.0	-88.27	360.19	0.15	-88.12
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(O)(C(=O)[O-])C2)O1	REAL300003695990	1	33	-2.0	-87.41	305.42	-2.30	-89.71
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC(O)(C(=O)[O-])C2)=C1	REAL300003696227	0	43	-2.0	-107.64	372.72	-0.61	-108.25
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(O)(C(=O)[O-])C1	REAL300003696271	0	36	-2.0	-103.53	313.97	0.46	-103.07
O=C([O-])C1(O)CCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CS3)=C2)C1	REAL300003696278	0	40	-2.0	-93.78	367.72	2.51	-91.27
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC(O)(C(=O)[O-])C2)=CS1	REAL300003696627	1	40	-2.0	-104.03	350.17	2.09	-101.94
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCC(O)(C(=O)[O-])C1	REAL300003696842	0	36	-2.0	-93.84	322.98	0.55	-93.29
CC1=C(CC(=O)N2CCC(O)(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003696849	1	42	-2.0	-108.93	360.15	2.25	-106.68
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(O)(C(=O)[O-])C1	REAL300003696854	0	42	-2.0	-105.56	356.95	2.15	-103.41
CC1=C(C(=O)N2CCC(O)(C(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300003696917	1	42	-2.0	-101.73	348.59	1.86	-99.87
O=C([O-])C1(O)CCN(C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3)C=C2)C1	REAL300003697015	1	43	-2.0	-92.35	373.26	3.42	-88.93
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)N1CCC(O)(C(=O)[O-])C1	REAL300003697567	0	42	-2.0	-105.20	362.62	2.74	-102.46
O=C([O-])C1(O)CCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300003697736	1	32	-2.0	-101.06	292.65	3.38	-97.68
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC(O)(C(=O)[O-])C2)C=N1	REAL300003697825	0	35	-2.0	-100.44	311.84	-0.50	-100.94
O=C([O-])C1(O)CCN(C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=NC=C3)C=C2)C1	REAL300003697887	1	42	-2.0	-88.80	368.32	1.66	-87.14
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC(O)(C(=O)[O-])C3)=N2)=C1	REAL300003697902	0	45	-2.0	-113.63	374.71	5.20	-108.43
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC(O)(C(=O)[O-])C3)=N2)C=C1	REAL300003697903	0	45	-2.0	-114.20	373.54	5.26	-108.94
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC(O)(C(=O)[O-])C2)=N1	REAL300003697971	0	39	-2.0	-111.14	339.31	4.27	-106.87
O=C([O-])C1(O)CCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1	REAL300003697975	0	36	-2.0	-112.39	319.79	3.39	-109.00
O=C([O-])C1(O)CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300003697997	1	34	-2.0	-115.78	292.52	4.57	-111.21
O=C([O-])C1(O)CCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)C1	REAL300003698015	0	36	-2.0	-80.96	333.35	0.79	-80.17
O=C([O-])C1(O)CCN(C(=O)C2=CN=C(I)C([O-])=C2)C1	REAL300003698055	0	28	-2.0	-83.78	272.43	0.54	-83.24
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC(O)(C(=O)[O-])C3)=N2)=C1	REAL300003698105	0	39	-2.0	-116.75	339.20	3.94	-112.81
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC(O)(C(=O)[O-])C2)=N1	REAL300003698106	0	42	-2.0	-117.18	354.65	5.06	-112.12
CC1=C(CC(=O)N2CCC(O)(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003698151	1	42	-2.0	-110.33	360.26	2.25	-108.08
O=C([O-])C1(O)CCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300003698185	0	29	-2.0	-86.27	272.77	1.94	-84.33
CCOC1=CC(C(=O)N2CCC(O)(C(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300003698271	1	36	-2.0	-90.98	317.62	2.92	-88.06
O=C([O-])C1(O)CCN(C(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])C1	REAL300003698275	0	39	-2.0	-118.22	346.65	4.52	-113.70
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC(O)(C(=O)[O-])C3)=N2)C=C1	REAL300003698282	0	40	-2.0	-114.25	342.83	2.64	-111.61
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(O)(C(=O)[O-])C2)=CO1	REAL300003698299	1	33	-2.0	-91.00	302.70	-2.67	-93.67
O=C([O-])C1(O)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300003698420	0	32	-2.0	-82.09	288.92	0.93	-81.16
O=C([O-])C1(O)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300003698420	1	32	-2.0	-82.08	288.98	0.94	-81.14
O=C([O-])C1(O)CCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300003698685	1	37	-2.0	-104.48	317.06	1.64	-102.84
O=C([O-])C1(O)CCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300003698901	0	29	-2.0	-100.48	284.16	3.77	-96.71
CC1=C(C(=O)N2CCC(O)(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300003699133	0	37	-2.0	-105.25	328.97	1.10	-104.15
O=C([O-])C1=CC=C(CCC(=O)NC2=NC=C(Br)S2)C=C1	REAL300003699382	0	29	-2.0	-86.65	297.82	6.31	-80.34
O=C([O-])C1=CC=C(CCC(=O)[N-]C2=NC=C(Br)S2)C=C1	REAL300003699382	1	29	-2.0	-86.65	297.82	6.31	-80.34
O=C([O-])C1=CC=CC=C1CCC(=O)NC1=NC=C(Br)S1	REAL300003699389	0	29	-2.0	-107.58	289.22	6.04	-101.54
O=C([O-])C1=CC=CC=C1CCC(=O)[N-]C1=NC=C(Br)S1	REAL300003699389	1	29	-2.0	-107.58	289.22	6.04	-101.54
O=C([O-])C1=CC(CC(=O)NC2=NC=C(Br)S2)=CC=C1	REAL300003699391	0	26	-2.0	-97.65	276.43	5.49	-92.16
O=C([O-])C1=CC(CC(=O)[N-]C2=NC=C(Br)S2)=CC=C1	REAL300003699391	1	26	-2.0	-97.65	276.43	5.49	-92.16
O=C([O-])C1CCCC(C(=O)NC2=NC=C(Br)S2)C1	REAL300003699392	0	29	-2.0	-95.82	278.34	5.04	-90.78
O=C([O-])C1CCCC(C(=O)[N-]C2=NC=C(Br)S2)C1	REAL300003699392	1	29	-2.0	-95.82	278.34	5.04	-90.78
CC(C)(CC(=O)[O-])CC(=O)NC1=NC=C(Br)S1	REAL300003699395	0	28	-2.0	-87.80	260.91	4.25	-83.55
CC(C)(CC(=O)[O-])CC(=O)[N-]C1=NC=C(Br)S1	REAL300003699395	1	28	-2.0	-87.80	260.91	4.25	-83.55
O=C([O-])[C@H]1CC[C@H](C(=O)NC2=NC=C(Br)S2)CC1	REAL300003699398	0	29	-2.0	-86.22	277.57	5.03	-81.19
O=C([O-])[C@H]1CC[C@H](C(=O)[N-]C2=NC=C(Br)S2)CC1	REAL300003699398	1	29	-2.0	-86.22	277.57	5.03	-81.19
O=C([O-])C1CCC(C(=O)NC2=NC=C(Br)S2)CC1	REAL300003699399	0	29	-2.0	-86.75	278.88	5.06	-81.69
O=C([O-])C1CCC(C(=O)[N-]C2=NC=C(Br)S2)CC1	REAL300003699399	1	29	-2.0	-86.75	278.88	5.06	-81.69
O=C([O-])C1=CC=C(CC(=O)NC2=NC=C(Br)S2)C=C1	REAL300003699400	0	26	-2.0	-90.92	276.43	5.50	-85.42
O=C([O-])C1=CC=C(CC(=O)[N-]C2=NC=C(Br)S2)C=C1	REAL300003699400	1	26	-2.0	-90.92	276.43	5.50	-85.42
O=C([O-])C1=CN(CC(=O)NC2=NC=C(Br)S2)N=N1	REAL300003699401	0	22	-2.0	-93.96	253.57	1.49	-92.47
O=C([O-])C1=CN(CC(=O)[N-]C2=NC=C(Br)S2)N=N1	REAL300003699401	1	22	-2.0	-93.96	253.57	1.49	-92.47
O=C([O-])[C@@H]1CC[C@H](C(=O)NC2=NC=C(Br)S2)C1	REAL300003699404	0	26	-2.0	-101.43	261.54	4.85	-96.58
O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]C2=NC=C(Br)S2)C1	REAL300003699404	1	26	-2.0	-101.43	261.54	4.85	-96.58
O=C([O-])C12CC(C(=O)NC3=NC=C(Br)S3)(C1)C2	REAL300003699409	0	24	-2.0	-92.20	257.05	4.84	-87.36
O=C([O-])C12CC(C(=O)[N-]C3=NC=C(Br)S3)(C1)C2	REAL300003699409	1	24	-2.0	-92.20	257.05	4.84	-87.36
O=C([O-])C1(C(=O)NC2=NC=C(Br)S2)CCC1	REAL300003699410	0	23	-2.0	-108.64	241.28	4.27	-104.37
O=C([O-])C1(C(=O)[N-]C2=NC=C(Br)S2)CCC1	REAL300003699410	1	23	-2.0	-108.64	241.28	4.27	-104.37
O=C([O-])C1CCC(CC(=O)NC2=NC=C(Br)S2)CC1	REAL300003699411	0	32	-2.0	-93.10	288.22	5.50	-87.60
O=C([O-])C1CCC(CC(=O)[N-]C2=NC=C(Br)S2)CC1	REAL300003699411	1	32	-2.0	-93.10	288.22	5.50	-87.60
O=C([O-])C12CCC(C(=O)NC3=NC=C(Br)S3)(CC1)C2	REAL300003699412	0	30	-2.0	-95.93	287.62	5.63	-90.30
O=C([O-])C12CCC(C(=O)[N-]C3=NC=C(Br)S3)(CC1)C2	REAL300003699412	1	30	-2.0	-95.93	287.62	5.63	-90.30
O=C([O-])C12CCC(C(=O)NC3=NC=C(Br)S3)(CC1)CC2	REAL300003699413	0	33	-2.0	-85.97	297.32	5.71	-80.26
O=C([O-])C12CCC(C(=O)[N-]C3=NC=C(Br)S3)(CC1)CC2	REAL300003699413	1	33	-2.0	-85.97	297.32	5.71	-80.26
CC(C)(CC(=O)[O-])CC(=O)NC1=NC=C(Br)S1	REAL300003699414	0	28	-2.0	-87.80	260.91	4.25	-83.55
CC(C)(CC(=O)[O-])CC(=O)[N-]C1=NC=C(Br)S1	REAL300003699414	1	28	-2.0	-87.80	260.91	4.25	-83.55
CC(CC(=O)[O-])CC(=O)NC1=NC=C(Br)S1	REAL300003699415	0	25	-2.0	-91.11	251.17	3.89	-87.22
CC(CC(=O)[O-])CC(=O)[N-]C1=NC=C(Br)S1	REAL300003699415	1	25	-2.0	-91.11	251.17	3.89	-87.22
O=C([O-])C1(C(=O)NC2=NC=C(Br)S2)CCCC1	REAL300003699419	0	26	-2.0	-110.74	257.14	5.07	-105.67
O=C([O-])C1(C(=O)[N-]C2=NC=C(Br)S2)CCCC1	REAL300003699419	1	26	-2.0	-110.74	257.14	5.07	-105.67
O=C([O-])C1=CC=C2CCCC(CC(=O)NC3=NC=C(Br)S3)C2=C1	REAL300003699420	0	36	-2.0	-101.26	332.71	8.16	-93.10
O=C([O-])C1=CC=C2CCCC(CC(=O)[N-]C3=NC=C(Br)S3)C2=C1	REAL300003699420	1	36	-2.0	-101.26	332.71	8.16	-93.10
O=C([O-])C1=CN(CC(=O)NC2=NC=C(Br)S2)N=C1	REAL300003699423	0	23	-2.0	-92.44	258.48	2.97	-89.47
O=C([O-])C1=CN(CC(=O)[N-]C2=NC=C(Br)S2)N=C1	REAL300003699423	1	23	-2.0	-92.44	258.48	2.97	-89.47
O=C([O-])C1(C(=O)NC2=NC=C(Br)S2)CC2(CCC2)C1	REAL300003699425	0	30	-2.0	-111.48	285.62	5.98	-105.50
O=C([O-])C1(C(=O)[N-]C2=NC=C(Br)S2)CC2(CCC2)C1	REAL300003699425	1	30	-2.0	-111.48	285.62	5.98	-105.50
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)NC2=NC=C(Br)S2)C1	REAL300003699427	0	32	-2.0	-104.59	322.10	5.85	-98.74
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)[N-]C2=NC=C(Br)S2)C1	REAL300003699427	1	32	-2.0	-104.59	322.10	5.85	-98.74
O=C([O-])CSCCC(=O)NC1=NC=C(Br)S1	REAL300003699428	0	23	-2.0	-84.50	261.59	4.01	-80.49
O=C([O-])CSCCC(=O)[N-]C1=NC=C(Br)S1	REAL300003699428	1	23	-2.0	-84.50	261.59	4.01	-80.49
C[C@@H]1C[C@H](C(=O)NC2=NC=C(Br)S2)O[C@H]1C(=O)[O-]	REAL300003699431	0	27	-2.0	-97.09	274.11	4.24	-92.85
C[C@@H]1C[C@H](C(=O)[N-]C2=NC=C(Br)S2)O[C@H]1C(=O)[O-]	REAL300003699431	1	27	-2.0	-97.09	274.11	4.24	-92.85
CC(C)(CCC(=O)[O-])C(=O)NC1=NC=C(Br)S1	REAL300003699432	0	28	-2.0	-94.25	271.72	4.36	-89.89
CC(C)(CCC(=O)[O-])C(=O)[N-]C1=NC=C(Br)S1	REAL300003699432	1	28	-2.0	-94.25	271.72	4.36	-89.89
O=C([O-])C1=C(COCC(=O)NC2=NC=C(Br)S2)OC=N1	REAL300003699437	0	26	-2.0	-104.42	284.53	0.47	-103.95
O=C([O-])C1=C(COCC(=O)[N-]C2=NC=C(Br)S2)OC=N1	REAL300003699437	1	26	-2.0	-104.42	284.53	0.47	-103.95
O=C([O-])[C@@H]1CC[C@H](C(=O)NC2=NC=C(Br)S2)C1	REAL300003699439	0	26	-2.0	-101.43	261.54	4.85	-96.58
O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]C2=NC=C(Br)S2)C1	REAL300003699439	1	26	-2.0	-101.43	261.54	4.85	-96.58
O=C([O-])C1=NN(CC(=O)NC2=NC=C(Br)S2)C=C1	REAL300003699443	0	23	-2.0	-105.93	257.83	3.00	-102.93
O=C([O-])C1=NN(CC(=O)[N-]C2=NC=C(Br)S2)C=C1	REAL300003699443	1	23	-2.0	-105.93	257.83	3.00	-102.93
O=C([O-])C1=NN(CCCC(=O)NC2=NC=C(Br)S2)C=C1	REAL300003699444	0	29	-2.0	-104.26	301.44	4.36	-99.90
O=C([O-])C1=NN(CCCC(=O)[N-]C2=NC=C(Br)S2)C=C1	REAL300003699444	1	29	-2.0	-104.26	301.44	4.36	-99.90
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NC1=NC=C(Br)S1	REAL300003699445	0	23	-2.0	-113.61	239.95	3.68	-109.93
O=C([O-])[C@@H]1CC[C@@H]1C(=O)[N-]C1=NC=C(Br)S1	REAL300003699445	1	23	-2.0	-113.61	239.95	3.68	-109.93
O=C([O-])CC[C@@H]1CC[C@H](C(=O)NC2=NC=C(Br)S2)O1	REAL300003699446	0	30	-2.0	-100.77	297.64	5.17	-95.60
O=C([O-])CC[C@@H]1CC[C@H](C(=O)[N-]C2=NC=C(Br)S2)O1	REAL300003699446	1	30	-2.0	-100.77	297.64	5.17	-95.60
O=C([O-])[C@@H]1CO[C@H](CCC(=O)NC2=NC=C(Br)S2)C1	REAL300003699447	0	30	-2.0	-88.31	294.47	3.63	-84.68
O=C([O-])[C@@H]1CO[C@H](CCC(=O)[N-]C2=NC=C(Br)S2)C1	REAL300003699447	1	30	-2.0	-88.31	294.47	3.63	-84.68
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NC1=NC=C(Br)S1	REAL300003699448	0	23	-2.0	-113.61	239.95	3.68	-109.93
O=C([O-])[C@@H]1CC[C@@H]1C(=O)[N-]C1=NC=C(Br)S1	REAL300003699448	1	23	-2.0	-113.61	239.95	3.68	-109.93
O=C([O-])[C@H]1C2C=CC(CC2)[C@H]1C(=O)NC1=NC=C(Br)S1	REAL300003699450	0	31	-2.0	-117.02	276.24	6.09	-110.93
O=C([O-])[C@H]1C2C=CC(CC2)[C@H]1C(=O)[N-]C1=NC=C(Br)S1	REAL300003699450	1	31	-2.0	-117.02	276.24	6.09	-110.93
CC(C)C(C(=O)[O-])C(=O)NC1=NC=C(Br)S1	REAL300003699451	0	25	-2.0	-107.06	252.80	3.83	-103.23
CC(C)C(C(=O)[O-])C(=O)[N-]C1=NC=C(Br)S1	REAL300003699451	1	25	-2.0	-107.06	252.80	3.83	-103.23
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NC1=NC=C(Br)S1	REAL300003699452	0	29	-2.0	-107.99	266.11	5.46	-102.53
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)[N-]C1=NC=C(Br)S1	REAL300003699452	1	29	-2.0	-107.99	266.11	5.46	-102.53
O=C([O-])C1CCCN(CC(=O)NC2=NC=C(Br)S2)C1	REAL300003699453	0	31	-2.0	-86.66	291.64	2.88	-83.78
O=C([O-])C1CCCN(CC(=O)[N-]C2=NC=C(Br)S2)C1	REAL300003699453	1	31	-2.0	-86.66	291.64	2.88	-83.78
O=C([O-])C1(C(=O)NC2=NC=C(Br)S2)CC1C1=CC=CC=C1	REAL300003699454	0	30	-2.0	-110.87	297.81	6.71	-104.16
O=C([O-])C1(C(=O)[N-]C2=NC=C(Br)S2)CC1C1=CC=CC=C1	REAL300003699454	1	30	-2.0	-110.87	297.81	6.71	-104.16
O=C([O-])C1=CN(CC(=O)NC2=NC=C(Br)S2)C2=CC=CC=C12	REAL300003699456	0	30	-2.0	-100.62	309.77	6.96	-93.66
O=C([O-])C1=CN(CC(=O)[N-]C2=NC=C(Br)S2)C2=CC=CC=C12	REAL300003699456	1	30	-2.0	-100.62	309.77	6.96	-93.66
O=C([O-])C1CC12CC(C(=O)NC1=NC=C(Br)S1)C2	REAL300003699457	0	27	-2.0	-93.03	272.13	5.14	-87.89
O=C([O-])C1CC12CC(C(=O)[N-]C1=NC=C(Br)S1)C2	REAL300003699457	1	27	-2.0	-93.03	272.13	5.14	-87.89
O=C([O-])[C@H]1C[C@@H](C(=O)NC2=NC=C(Br)S2)C1	REAL300003699458	0	23	-2.0	-95.45	243.86	3.83	-91.62
O=C([O-])[C@H]1C[C@@H](C(=O)[N-]C2=NC=C(Br)S2)C1	REAL300003699458	1	23	-2.0	-95.45	243.86	3.83	-91.62
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)NC1=NC=C(Br)S1	REAL300003699459	0	29	-2.0	-114.25	285.11	5.79	-108.46
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)[N-]C1=NC=C(Br)S1	REAL300003699459	1	29	-2.0	-114.25	285.11	5.79	-108.46
CC1(C(=O)[O-])CC(C(=O)NC2=NC=C(Br)S2)C1	REAL300003699461	0	26	-2.0	-92.15	260.88	4.24	-87.91
CC1(C(=O)[O-])CC(C(=O)[N-]C2=NC=C(Br)S2)C1	REAL300003699461	1	26	-2.0	-92.15	260.88	4.24	-87.91
CCCC(C(=O)[O-])C(=O)NC1=NC=C(Br)S1	REAL300003699465	0	25	-2.0	-107.35	258.21	4.04	-103.31
CCCC(C(=O)[O-])C(=O)[N-]C1=NC=C(Br)S1	REAL300003699465	1	25	-2.0	-107.35	258.21	4.04	-103.31
O=C([O-])C1CC2(C1)CC(C(=O)NC1=NC=C(Br)S1)C2	REAL300003699468	0	30	-2.0	-90.13	294.77	6.13	-84.00
O=C([O-])C1CC2(C1)CC(C(=O)[N-]C1=NC=C(Br)S1)C2	REAL300003699468	1	30	-2.0	-90.13	294.77	6.13	-84.00
O=C([O-])C1(C(=O)NC2=NC=C(Br)S2)CC=CC1	REAL300003699471	0	24	-2.0	-111.04	252.31	4.63	-106.41
O=C([O-])C1(C(=O)[N-]C2=NC=C(Br)S2)CC=CC1	REAL300003699471	1	24	-2.0	-111.04	252.31	4.63	-106.41
O=C([O-])CC1(CC(=O)NC2=NC=C(Br)S2)CC1	REAL300003699474	0	26	-2.0	-101.56	266.40	4.97	-96.59
O=C([O-])CC1(CC(=O)[N-]C2=NC=C(Br)S2)CC1	REAL300003699474	1	26	-2.0	-101.56	266.40	4.97	-96.59
O=C([O-])C1C(F)(F)C12CC(C(=O)NC1=NC=C(Br)S1)C2	REAL300003699475	0	27	-2.0	-86.93	285.83	5.33	-81.60
O=C([O-])C1C(F)(F)C12CC(C(=O)[N-]C1=NC=C(Br)S1)C2	REAL300003699475	1	27	-2.0	-86.93	285.83	5.33	-81.60
C[C@]1(C(=O)NC2=NC=C(Br)S2)C[C@H]1C(=O)[O-]	REAL300003699477	0	23	-2.0	-114.89	247.64	3.87	-111.02
C[C@]1(C(=O)[N-]C2=NC=C(Br)S2)C[C@H]1C(=O)[O-]	REAL300003699477	1	23	-2.0	-114.89	247.64	3.87	-111.02
O=C([O-])C1=NC=CC=C1CCC(=O)NC1=NC=C(Br)S1	REAL300003699483	0	28	-2.0	-109.36	285.36	4.28	-105.08
O=C([O-])C1=NC=CC=C1CCC(=O)[N-]C1=NC=C(Br)S1	REAL300003699483	1	28	-2.0	-109.36	285.36	4.28	-105.08
O=C([O-])C12CC(C(=O)NC3=NC=C(Br)S3)(C1)OC2	REAL300003699484	0	25	-2.0	-88.58	262.10	2.35	-86.23
O=C([O-])C12CC(C(=O)[N-]C3=NC=C(Br)S3)(C1)OC2	REAL300003699484	1	25	-2.0	-88.58	262.10	2.35	-86.23
CC1CC1(C(=O)[O-])C(=O)NC1=NC=C(Br)S1	REAL300003699486	0	23	-2.0	-106.24	243.43	3.99	-102.25
CC1CC1(C(=O)[O-])C(=O)[N-]C1=NC=C(Br)S1	REAL300003699486	1	23	-2.0	-106.24	243.43	3.99	-102.25
O=C([O-])C1(C(=O)NC2=NC=C(Br)S2)CC2(CCC2)C1	REAL300003699487	0	30	-2.0	-111.48	285.62	5.98	-105.50
O=C([O-])C1(C(=O)[N-]C2=NC=C(Br)S2)CC2(CCC2)C1	REAL300003699487	1	30	-2.0	-111.48	285.62	5.98	-105.50
C=C1CCC1(C(=O)[O-])C(=O)NC1=NC=C(Br)S1	REAL300003699494	0	24	-2.0	-108.20	253.88	4.40	-103.80
C=C1CCC1(C(=O)[O-])C(=O)[N-]C1=NC=C(Br)S1	REAL300003699494	1	24	-2.0	-108.20	253.88	4.40	-103.80
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NC1=NC=C(Br)S1	REAL300003699496	0	28	-2.0	-120.42	271.76	3.18	-117.24
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)[N-]C1=NC=C(Br)S1	REAL300003699496	1	28	-2.0	-120.42	271.76	3.18	-117.24
CC(C)[C@]1(C(=O)NC2=NC=C(Br)S2)C[C@H]1C(=O)[O-]	REAL300003699498	0	29	-2.0	-116.50	282.42	4.87	-111.63
CC(C)[C@]1(C(=O)[N-]C2=NC=C(Br)S2)C[C@H]1C(=O)[O-]	REAL300003699498	1	29	-2.0	-116.50	282.42	4.87	-111.63
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NC1=NC=C(Br)S1	REAL300003699499	0	29	-2.0	-91.61	293.13	5.97	-85.64
CC1=CC(C(=O)[O-])=CC=C1CC(=O)[N-]C1=NC=C(Br)S1	REAL300003699499	1	29	-2.0	-91.61	293.13	5.97	-85.64
O=C([O-])C1=CSC(CC(=O)NC2=NC=C(Br)S2)=C1	REAL300003699500	0	23	-2.0	-93.92	267.97	4.64	-89.28
O=C([O-])C1=CSC(CC(=O)[N-]C2=NC=C(Br)S2)=C1	REAL300003699500	1	23	-2.0	-93.92	267.97	4.64	-89.28
O=C([O-])C1=CC=C(CC(=O)NC2=NC=C(Br)S2)C=C1F	REAL300003699501	0	26	-2.0	-91.89	280.97	5.52	-86.37
O=C([O-])C1=CC=C(CC(=O)[N-]C2=NC=C(Br)S2)C=C1F	REAL300003699501	1	26	-2.0	-91.89	280.97	5.52	-86.37
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NC1=NC=C(Br)S1	REAL300003699502	0	26	-2.0	-111.12	258.40	4.37	-106.75
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)[N-]C1=NC=C(Br)S1	REAL300003699502	1	26	-2.0	-111.12	258.40	4.37	-106.75
O=C([O-])C12CCC(C(=O)NC3=NC=C(Br)S3)(CC1)CC2	REAL300003699504	0	33	-2.0	-85.97	297.32	5.71	-80.26
O=C([O-])C12CCC(C(=O)[N-]C3=NC=C(Br)S3)(CC1)CC2	REAL300003699504	1	33	-2.0	-85.97	297.32	5.71	-80.26
CC1=C(CCC(=O)NC(CO)C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300003701091	1	45	-2.0	-108.83	372.88	1.24	-107.59
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)NC(CO)C(=O)[O-])=C1	REAL300003701136	1	45	-2.0	-109.08	390.22	2.74	-106.34
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC(CO)C(=O)[O-])C=C2)C=C1C	REAL300003701170	1	45	-2.0	-111.59	392.62	2.49	-109.10
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC(CO)C(=O)[O-])=C1	REAL300003701369	0	35	-2.0	-118.70	314.55	-0.92	-119.62
O=C([O-])C(CO)NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1	REAL300003701589	1	39	-2.0	-110.42	360.32	1.33	-109.09
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NC(CO)C(=O)[O-])=C2)C=C1F	REAL300003701616	1	42	-2.0	-111.83	381.11	1.97	-109.86
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CO)C(=O)[O-]	REAL300003701635	0	35	-2.0	-119.65	314.62	-0.70	-120.35
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC(CO)C(=O)[O-])C=C1	REAL300003701671	1	37	-2.0	-130.54	336.61	4.20	-126.34
O=C([O-])C(CO)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300003701718	1	39	-2.0	-103.79	360.59	1.35	-102.44
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CO)C(=O)[O-])C=C1	REAL300003701720	1	42	-2.0	-103.17	374.26	2.04	-101.13
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NC(CO)C(=O)[O-])C=C2)=C1C	REAL300003701724	1	45	-2.0	-104.39	390.78	2.59	-101.80
O=C([O-])C(CO)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300003701830	1	39	-2.0	-110.32	353.71	1.30	-109.02
O=C([O-])C(CO)NC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300003701831	1	42	-2.0	-115.81	385.43	2.00	-113.81
O=C([O-])C(CO)NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300003701832	1	39	-2.0	-115.07	353.89	1.29	-113.78
CC1=CC(C(=O)NC(CO)C(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300003701846	0	35	-2.0	-94.77	335.48	-0.49	-95.26
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NC(CO)C(=O)[O-])C=C2)C=C1	REAL300003701957	1	42	-2.0	-104.13	375.76	1.95	-102.18
O=C([O-])C(CO)NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2)=C1	REAL300003702033	1	39	-2.0	-111.61	371.11	1.77	-109.84
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)NC(CO)C(=O)[O-])=C1	REAL300003702034	0	43	-2.0	-120.60	383.62	0.59	-120.01
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NC(CO)C(=O)[O-])=C2)C=C1	REAL300003702035	1	43	-2.0	-115.54	383.90	0.56	-114.98
O=C([O-])C(CO)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300003702040	0	36	-2.0	-111.19	346.12	0.29	-110.90
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CO)C(=O)[O-])O1	REAL300003702054	1	38	-2.0	-101.31	340.35	-2.46	-103.77
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NC(CO)C(=O)[O-])=C2)C=C1	REAL300003702138	1	42	-2.0	-117.61	375.78	1.93	-115.68
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)NC(CO)C(=O)[O-])=CC=C2C)C=C1	REAL300003702145	1	45	-2.0	-117.75	391.08	2.75	-115.00
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NC(CO)C(=O)[O-])C=C2)=CC=C1F	REAL300003702151	1	42	-2.0	-104.22	380.43	2.00	-102.22
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NC(CO)C(=O)[O-])C=C1	REAL300003702152	1	42	-2.0	-106.07	376.07	2.13	-103.94
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)NC(CO)C(=O)[O-])=CC=C1F	REAL300003702155	0	42	-2.0	-120.59	378.62	2.25	-118.34
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CO)C(=O)[O-])C=C1	REAL300003702181	0	43	-2.0	-107.29	383.11	0.63	-106.66
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2)C=C1C(=O)NC(CO)C(=O)[O-]	REAL300003702183	1	42	-2.0	-103.05	376.75	2.04	-101.01
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)NC(CO)C(=O)[O-])=CC=C2C)=C1	REAL300003702184	1	45	-2.0	-118.13	391.09	2.75	-115.38
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)NC(CO)C(=O)[O-])=C2)=C1	REAL300003702185	1	42	-2.0	-117.84	375.65	1.98	-115.86
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)NC(CO)C(=O)[O-])=C2)=C1	REAL300003702186	1	45	-2.0	-111.78	391.84	2.62	-109.16
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NC(CO)C(=O)[O-])=C2)=C1	REAL300003702191	1	45	-2.0	-115.06	391.13	2.75	-112.31
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC(CO)C(=O)[O-])=C1	REAL300003702256	0	39	-2.0	-123.52	349.43	-2.71	-126.23
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CO)C(=O)[O-]	REAL300003702299	0	32	-2.0	-117.89	293.64	-1.61	-119.50
O=C([O-])C(CO)NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300003702309	0	36	-2.0	-113.39	346.17	0.33	-113.06
O=C([O-])C(CO)NC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300003702310	0	39	-2.0	-121.45	370.82	0.99	-120.46
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(CO)C(=O)[O-])=CS1	REAL300003702586	1	36	-2.0	-113.16	327.83	-0.51	-113.67
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NC(CO)C(=O)[O-])C=C2)C=C1	REAL300003702652	1	43	-2.0	-102.29	383.40	0.57	-101.72
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC(CO)C(=O)[O-]	REAL300003702733	0	32	-2.0	-110.66	299.56	-1.54	-112.20
CC1=C(CC(=O)NC(CO)C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003702743	1	38	-2.0	-117.29	338.20	-0.31	-117.60
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CO)C(=O)[O-]	REAL300003702746	0	38	-2.0	-120.17	336.61	0.08	-120.09
O=C([O-])C(CO)NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300003702885	1	39	-2.0	-103.29	354.35	1.27	-102.02
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)NC(CO)C(=O)[O-])=C1	REAL300003702887	0	45	-2.0	-126.86	388.79	2.99	-123.87
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NC(CO)C(=O)[O-]	REAL300003703210	0	38	-2.0	-123.11	339.04	0.65	-122.46
O=C([O-])C(CO)NC(=O)C1=CC(Br)=C([O-])C(Br)=C1	REAL300003703279	0	25	-2.0	-97.34	274.03	0.60	-96.74
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(CO)C(=O)[O-])C=N1	REAL300003703381	0	31	-2.0	-107.13	294.69	-2.58	-109.71
O=C([O-])C(CO)NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300003703424	1	38	-2.0	-99.31	348.91	-0.50	-99.81
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC(CO)C(=O)[O-])=N2)=C1	REAL300003703437	0	41	-2.0	-135.53	354.15	2.50	-133.03
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(CO)C(=O)[O-])=N2)C=C1	REAL300003703438	0	41	-2.0	-133.57	354.22	2.45	-131.12
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(CO)C(=O)[O-])=N1	REAL300003703473	0	35	-2.0	-130.18	321.76	1.55	-128.63
O=C([O-])C(CO)NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300003703476	0	32	-2.0	-131.10	300.30	0.65	-130.45
O=C([O-])C(CO)NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300003703497	0	32	-2.0	-98.90	315.91	-1.30	-100.20
O=C([O-])C(CO)NC(=O)C1=CN=C(I)C([O-])=C1	REAL300003703519	0	24	-2.0	-102.22	255.15	-1.57	-103.79
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(CO)C(=O)[O-])=N2)=C1	REAL300003703552	0	35	-2.0	-138.16	318.78	1.19	-136.97
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CO)C(=O)[O-])=N1	REAL300003703553	0	38	-2.0	-137.08	335.15	2.31	-134.77
CC1=C(CC(=O)NC(CO)C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003703569	1	38	-2.0	-115.17	337.47	-0.36	-115.53
CCOC1=CC(C(=O)NC(CO)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300003703626	1	32	-2.0	-104.98	300.30	0.86	-104.12
O=C([O-])C(CO)NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300003703630	0	35	-2.0	-139.34	323.92	1.97	-137.37
COC1=CC=C(N2C=C([O-])C(C(=O)NC(CO)C(=O)[O-])=N2)C=C1	REAL300003703638	0	36	-2.0	-133.50	323.37	-0.12	-133.62
CC1=C(C(=O)NC(CO)C(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300003704114	0	33	-2.0	-117.56	298.03	-1.06	-118.62
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])O1	REAL300003706029	1	46	-2.0	-87.28	375.39	3.59	-83.69
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)CC1=CSC([N-]C(=O)C(C)C)=N1	REAL300003706490	1	53	-2.0	-108.35	419.30	7.83	-100.52
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1=CC=C([O-])C(F)=C1	REAL300003707555	1	42	-2.0	-95.70	326.31	7.04	-88.66
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300003707565	1	45	-2.0	-110.85	354.33	9.31	-101.54
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300003707652	0	48	-2.0	-95.11	380.92	5.05	-90.06
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300003707675	1	47	-2.0	-113.95	358.79	6.09	-107.86
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])=N1	REAL300003707791	0	52	-2.0	-116.60	409.05	9.47	-107.13
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300003707796	0	49	-2.0	-119.60	385.93	9.20	-110.40
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300003707825	1	47	-2.0	-111.91	359.54	10.57	-101.34
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])=N2)=C1	REAL300003707959	0	52	-2.0	-125.75	399.82	9.87	-115.88
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])=N1	REAL300003707960	0	55	-2.0	-121.61	423.53	10.53	-111.08
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300003708071	0	42	-2.0	-90.52	341.74	7.58	-82.94
COC1=C(C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])NC(=O)[N-]C1=O	REAL300003708082	1	45	-2.0	-90.75	357.47	2.07	-88.68
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)CCCC1=N[N-]N=N1	REAL300003708156	0	45	-2.0	-101.70	349.89	6.50	-95.20
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)CCCC1=NN=N[N-]1	REAL300003708156	1	45	-2.0	-101.71	349.94	6.51	-95.20
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300003708187	0	42	-2.0	-92.56	336.10	7.52	-85.04
CCOC1=CC(C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300003708191	1	49	-2.0	-95.09	386.58	8.56	-86.53
COC1=CC=C(N2C=C([O-])C(C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])=N2)C=C1	REAL300003708197	0	53	-2.0	-120.52	408.51	8.43	-112.09
C[N-]S(=O)(=O)C1=CC(C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])=CO1	REAL300003708212	1	46	-2.0	-96.13	366.93	3.01	-93.12
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300003708346	0	45	-2.0	-85.08	351.16	7.36	-77.72
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300003708346	1	45	-2.0	-85.01	351.23	7.38	-77.63
COCC1=NC=C(C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])C(=O)[N-]1	REAL300003708599	1	47	-2.0	-111.99	360.61	3.74	-108.25
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300003708642	1	50	-2.0	-105.10	385.46	7.23	-97.87
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300003708880	0	42	-2.0	-96.19	344.83	9.24	-86.95
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)=C1	REAL300003710123	1	44	-2.0	-96.86	381.66	6.41	-90.45
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=CC(CCC(=O)[O-])=C1	REAL300003710421	1	44	-2.0	-97.94	382.03	6.62	-91.32
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2=CC=CC(CCC(=O)[O-])=C2)C=C1	REAL300003710466	1	46	-2.0	-101.61	403.88	11.55	-90.06
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)O1	REAL300003710896	1	47	-2.0	-89.35	406.61	4.95	-84.40
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)O1	REAL300003710897	1	38	-2.0	-89.27	352.99	2.42	-86.85
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=CC(CCC(=O)[O-])=C1	REAL300003711166	0	41	-2.0	-96.61	360.56	5.72	-90.89
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=CC=CC(CCC(=O)[O-])=C2)=CS1	REAL300003711516	1	45	-2.0	-97.51	394.48	6.84	-90.67
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1=CC=CC(CCC(=O)[O-])=C1	REAL300003711752	0	41	-2.0	-91.08	366.67	5.80	-85.28
CC1=C(CC(=O)NC2=CC=CC(CCC(=O)[O-])=C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003711755	1	47	-2.0	-102.56	404.68	6.98	-95.58
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=CC(CCC(=O)[O-])=C1	REAL300003711758	1	47	-2.0	-98.34	403.53	7.41	-90.93
CC1=C(C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300003711839	1	47	-2.0	-93.74	385.14	7.23	-86.51
COC1=CC=C(C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)C([O-])=C1	REAL300003712345	1	38	-2.0	-104.76	327.41	7.41	-97.35
O=C([O-])CCC1=CC=CC(NC(=O)C2=CC=C([O-])C(F)=C2)=C1	REAL300003712899	1	34	-2.0	-99.14	306.35	6.64	-92.50
O=C([O-])CCC1=CC=CC(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])=C1	REAL300003712910	1	37	-2.0	-114.56	336.69	9.10	-105.46
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)C=N1	REAL300003713017	0	40	-2.0	-93.12	361.61	4.75	-88.37
O=C([O-])CCC1=CC=CC(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)=C1	REAL300003713053	1	39	-2.0	-97.61	339.24	6.23	-91.38
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3=CC=CC(CCC(=O)[O-])=C3)=N2)=C1	REAL300003713111	0	50	-2.0	-108.55	421.14	9.78	-98.77
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=CC(CCC(=O)[O-])=C3)=N2)C=C1	REAL300003713112	0	50	-2.0	-107.27	421.13	9.79	-97.48
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)=N1	REAL300003713207	0	44	-2.0	-103.52	383.05	8.87	-94.65
O=C([O-])CCC1=CC=CC(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])=C1	REAL300003713212	0	41	-2.0	-121.38	367.05	7.94	-113.44
O=C([O-])CCC1=CC=CC(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)=C1	REAL300003713250	0	39	-2.0	-106.36	340.50	8.73	-97.63
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC=CC(CCC(=O)[O-])=C3)=N2)=C1	REAL300003713416	0	44	-2.0	-111.42	385.69	8.52	-102.90
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)=N1	REAL300003713417	0	47	-2.0	-108.57	395.07	9.66	-98.91
CC1=C(CC(=O)NC2=CC=CC(CCC(=O)[O-])=C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003713494	1	47	-2.0	-101.35	404.87	6.97	-94.38
O=C([O-])CCC1=CC=CC(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)=C1	REAL300003713554	0	34	-2.0	-97.04	322.36	7.21	-89.83
O=C([O-])CCC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300003713671	0	37	-2.0	-93.92	325.32	5.50	-88.42
O=C([O-])CCC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300003713671	1	37	-2.0	-93.90	325.37	5.51	-88.39
O=C([O-])CCC1=CC=CC(NC(=O)C2=CC=C([O-])C(Cl)=C2)=C1	REAL300003713707	0	34	-2.0	-96.44	316.15	7.14	-89.30
CCOC1=CC(C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)=CC(Cl)=C1[O-]	REAL300003713710	1	41	-2.0	-91.43	367.22	8.17	-83.26
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=CC(CCC(=O)[O-])=C3)=N2)C=C1	REAL300003713720	0	45	-2.0	-107.34	390.41	7.17	-100.17
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)=CO1	REAL300003713744	1	38	-2.0	-93.09	352.15	2.40	-90.69
O=C([O-])CCC1=CC=CC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)=C1	REAL300003713836	0	42	-2.0	-94.47	364.35	11.10	-83.37
O=C([O-])CCC1=CC=CC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)=C1	REAL300003713836	1	42	-2.0	-94.41	364.30	11.10	-83.31
O=C([O-])CCC1=CC=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300003713910	0	37	-2.0	-89.25	335.61	5.29	-83.96
O=C([O-])CCC1=CC=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300003713910	1	37	-2.0	-83.89	335.97	5.30	-78.59
COCC1=NC=C(C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)C(=O)[N-]1	REAL300003714242	1	39	-2.0	-91.85	341.18	3.81	-88.04
O=C([O-])CCC1=CC=CC(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)=C1	REAL300003714290	1	42	-2.0	-92.63	355.10	6.70	-85.93
O=C([O-])CCC1=CC=CC(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=C1	REAL300003714611	0	34	-2.0	-92.85	330.48	9.13	-83.72
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])O1	REAL300003716488	1	41	-2.0	-96.08	364.46	2.76	-93.32
CC(CC1=CC=C(F)C=C1)(NC(=O)C1=CC=C([O-])C(F)=C1)C(=O)[O-]	REAL300003717842	1	37	-2.0	-101.48	317.82	6.98	-94.50
CC(CC1=CC=C(F)C=C1)(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300003717854	1	40	-2.0	-122.28	348.16	9.05	-113.23
CC(CC1=CC=C(F)C=C1)(NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL300003717894	0	37	-2.0	-98.46	315.27	5.02	-93.44
CC(CC1=CC=C(F)C=C1)(NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL300003717894	1	37	-2.0	-98.42	315.33	5.03	-93.39
CC(CC1=CC=C(F)C=C1)(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300003717951	0	43	-2.0	-104.63	373.03	5.08	-99.55
CC(CC1=CC=C(F)C=C1)(NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C(=O)[O-]	REAL300003717972	1	42	-2.0	-109.12	350.83	6.51	-102.61
CC(CC1=CC=C(F)C=C1)(NC(=O)C1=CN=CC([O-])=C1)C(=O)[O-]	REAL300003718003	1	36	-2.0	-107.71	306.67	5.08	-102.63
CC(CC1=CC=C(F)C=C1)(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(=O)[O-]	REAL300003718111	1	42	-2.0	-135.87	351.95	8.68	-127.19
CC(CC1=CC=C(F)C=C1)(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300003718347	0	37	-2.0	-99.52	333.81	7.54	-91.98
COC1=C(C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])NC(=O)[N-]C1=O	REAL300003718360	1	40	-2.0	-99.36	339.97	2.14	-97.22
CC(CC1=CC=C(F)C=C1)(NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL300003718432	0	40	-2.0	-107.88	336.76	5.80	-102.08
CC(CC1=CC=C(F)C=C1)(NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL300003718432	1	40	-2.0	-107.87	336.82	5.81	-102.06
CC(CC1=CC=C(F)C=C1)(NC(=O)C1=CC=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300003718462	0	37	-2.0	-99.35	327.62	7.47	-91.88
CCOC1=CC(C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300003718465	1	44	-2.0	-103.91	378.65	8.51	-95.40
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])=CO1	REAL300003718486	1	41	-2.0	-106.19	363.58	2.73	-103.46
CC(CC1=CC=C(F)C=C1)(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300003718616	0	40	-2.0	-90.95	347.36	5.62	-85.33
CC(CC1=CC=C(F)C=C1)(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300003718616	1	40	-2.0	-90.98	347.42	5.63	-85.35
CC(CC1=CC=C(F)C=C1)(NC(=O)C1=C[N-]N=CC1=O)C(=O)[O-]	REAL300003718831	0	35	-2.0	-99.22	298.89	5.52	-93.70
COCC1=NC=C(C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])C(=O)[N-]1	REAL300003718853	1	42	-2.0	-108.34	352.66	4.16	-104.18
CC(CC1=CC=C(F)C=C1)(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(=O)[O-]	REAL300003718893	1	45	-2.0	-109.21	366.58	7.06	-102.15
CC(CC1=CC=C(F)C=C1)(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300003719114	0	37	-2.0	-117.36	342.21	9.09	-108.27
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1	REAL300003720756	1	40	-2.0	-126.24	361.20	9.96	-116.28
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])O1	REAL300003721119	1	41	-2.0	-93.43	361.39	3.73	-89.70
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])O1	REAL300003721120	1	32	-2.0	-92.30	305.95	1.33	-90.97
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=CS1	REAL300003721618	1	39	-2.0	-111.59	351.53	5.28	-106.31
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300003722658	1	31	-2.0	-112.54	292.79	6.81	-105.73
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=N1	REAL300003722742	0	34	-2.0	-101.25	314.39	2.92	-98.33
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])=N2)=C1	REAL300003722812	0	44	-2.0	-130.92	374.09	8.95	-121.97
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])=N2)C=C1	REAL300003722813	0	44	-2.0	-129.66	374.09	8.96	-120.70
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=N1	REAL300003722869	0	38	-2.0	-126.12	341.62	8.06	-118.06
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300003722874	0	35	-2.0	-128.16	320.29	7.10	-121.06
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300003722896	1	33	-2.0	-131.99	293.04	7.85	-124.14
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)C1=CN=C(I)C([O-])=C1	REAL300003722958	0	27	-2.0	-96.91	274.78	3.93	-92.98
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])=N2)=C1	REAL300003723011	0	38	-2.0	-134.47	338.64	7.68	-126.79
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=N1	REAL300003723012	0	41	-2.0	-132.96	352.68	8.62	-124.34
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300003723101	0	28	-2.0	-94.58	275.23	5.43	-89.15
COC1=C(C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])NC(=O)[N-]C1=O	REAL300003723107	1	31	-2.0	-96.46	283.96	0.71	-95.75
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300003723192	0	28	-2.0	-95.23	269.00	5.36	-89.87
CCOC1=CC(C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300003723196	1	35	-2.0	-104.89	321.39	6.04	-98.85
COC1=CC=C(N2C=C([O-])C(C(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])=N2)C=C1	REAL300003723204	0	39	-2.0	-129.43	343.37	6.33	-123.10
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=CO1	REAL300003723216	1	32	-2.0	-93.79	303.53	0.62	-93.17
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300003723332	0	31	-2.0	-87.70	288.47	4.64	-83.06
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300003723332	1	31	-2.0	-87.71	288.54	4.64	-83.07
COCC1=NC=C(C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C(=O)[N-]1	REAL300003723564	1	33	-2.0	-108.52	303.49	2.43	-106.09
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300003723818	0	28	-2.0	-110.25	285.26	7.11	-103.14
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300003725006	1	40	-2.0	-117.07	354.68	9.88	-107.19
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300003725153	1	42	-2.0	-120.44	362.80	6.28	-114.16
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300003725154	1	42	-2.0	-113.57	363.01	6.28	-107.29
CC1=CC(C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300003725165	0	38	-2.0	-94.04	349.74	4.61	-89.43
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300003725347	0	39	-2.0	-107.57	359.39	5.77	-101.80
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])O1	REAL300003725365	1	41	-2.0	-97.88	353.09	3.80	-94.08
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])O1	REAL300003725366	1	32	-2.0	-97.03	299.48	1.27	-95.76
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300003725591	0	39	-2.0	-111.43	354.96	5.29	-106.14
CC(C)C(=O)[N-]C1=NC(CC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=CS1	REAL300003725847	1	39	-2.0	-116.36	346.35	5.13	-111.23
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300003726155	1	42	-2.0	-104.19	363.01	6.29	-97.90
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300003726701	1	31	-2.0	-114.39	282.54	6.59	-107.80
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=N1	REAL300003726770	0	34	-2.0	-106.07	307.90	2.83	-103.24
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300003726816	1	41	-2.0	-100.27	363.95	4.63	-95.64
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])=N2)=C1	REAL300003726830	0	44	-2.0	-136.30	367.63	8.89	-127.41
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])=N2)C=C1	REAL300003726831	0	44	-2.0	-135.01	367.59	8.88	-126.13
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=N1	REAL300003726877	0	38	-2.0	-131.00	323.82	7.70	-123.30
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300003726881	0	35	-2.0	-132.80	313.78	7.04	-125.76
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300003726897	1	33	-2.0	-137.18	286.57	7.80	-129.38
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300003726913	0	35	-2.0	-94.20	324.55	3.71	-90.49
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)C1=CN=C(I)C([O-])=C1	REAL300003726947	0	27	-2.0	-97.88	268.18	3.90	-93.98
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])=N2)=C1	REAL300003726982	0	38	-2.0	-139.90	332.15	7.61	-132.29
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=N1	REAL300003726983	0	41	-2.0	-138.54	346.29	8.55	-129.99
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300003727038	0	28	-2.0	-98.85	269.61	5.03	-93.82
COC1=C(C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])NC(=O)[N-]C1=O	REAL300003727041	1	31	-2.0	-101.21	276.26	0.59	-100.62
CCOC1=CC(C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300003727101	1	35	-2.0	-104.12	313.56	6.32	-97.80
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300003727104	0	38	-2.0	-134.44	341.90	7.94	-126.50
COC1=CC=C(N2C=C([O-])C(C(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])=N2)C=C1	REAL300003727109	0	39	-2.0	-134.70	336.88	6.26	-128.44
C[N-]S(=O)(=O)C1=CC(C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=CO1	REAL300003727119	1	32	-2.0	-105.11	299.00	0.38	-104.73
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300003727213	0	31	-2.0	-92.22	282.01	4.57	-87.65
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300003727213	1	31	-2.0	-92.23	282.07	4.57	-87.66
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300003727592	0	28	-2.0	-114.00	278.79	7.04	-106.96
C=C1C[C@@H](C(=O)[O-])N(C(=O)CCC2=C(C)N=C(N3CCOCC3)[N-]C2=O)C1	REAL300003728131	1	49	-2.0	-122.14	396.95	7.34	-114.80
C=C1C[C@@H](C(=O)[O-])N(C(=O)CN2C(=S)[N-]N=C2C2=CC=C(C)C=C2)C1	REAL300003728652	1	41	-2.0	-137.34	361.18	10.29	-127.05
C=C1C[C@@H](C(=O)[O-])N(C(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3)C=C2)C1	REAL300003728800	1	43	-2.0	-113.04	373.87	7.16	-105.88
C=C1C[C@@H](C(=O)[O-])N(C(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)C1	REAL300003728801	1	43	-2.0	-113.53	374.07	7.14	-106.39
C=C1C[C@@H](C(=O)[O-])N(C(=O)C2=CC=C([N-]S(=O)(=O)C(F)(F)F)C(C)=C2)C1	REAL300003728812	0	39	-2.0	-97.51	355.34	5.34	-92.17
C=C1C[C@@H](C(=O)[O-])N(C(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CS3)C=C2)C1	REAL300003728993	0	40	-2.0	-114.68	365.85	6.16	-108.52
C=C1C[C@@H](C(=O)[O-])N(C(=O)C2=CC=C(S(=O)(=O)[N-]C(C)(C)C)O2)C1	REAL300003729011	1	42	-2.0	-101.54	362.02	3.64	-97.90
C=C1C[C@@H](C(=O)[O-])N(C(=O)C2=CC=C(S(=O)(=O)[N-]C)O2)C1	REAL300003729012	1	33	-2.0	-100.21	307.25	1.20	-99.01
C=C1C[C@@H](C(=O)[O-])N(C(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CS3)=C2)C1	REAL300003729236	0	40	-2.0	-116.45	368.21	5.84	-110.61
C=C1C[C@@H](C(=O)[O-])N(C(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)C1	REAL300003729482	1	40	-2.0	-121.00	353.30	5.49	-115.51
C=C1C[C@@H](C(=O)[O-])N(C(=O)CC2=C(C)N=C(C3=CC=CN=C3)[N-]C2=O)C1	REAL300003729650	1	42	-2.0	-124.92	361.85	5.75	-119.17
C=C1C[C@@H](C(=O)[O-])N(C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3)C=C2)C1	REAL300003729777	1	43	-2.0	-105.62	376.24	6.84	-98.78
C=C1C[C@@H](C(=O)[O-])N(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300003730280	1	32	-2.0	-122.84	294.33	7.11	-115.73
C=C1C[C@@H](C(=O)[O-])N(C(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C1	REAL300003730344	0	35	-2.0	-109.42	314.34	3.24	-106.18
C=C1C[C@@H](C(=O)[O-])N(C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=NC=C3)C=C2)C1	REAL300003730389	1	42	-2.0	-101.85	371.28	5.07	-96.78
C=C1C[C@@H](C(=O)[O-])N(C(=O)C2=NN(C3=CC=CC(C(C)C)=C3)C=C2[O-])C1	REAL300003730403	0	45	-2.0	-143.40	375.37	8.92	-134.48
C=C1C[C@@H](C(=O)[O-])N(C(=O)C2=NN(C3=CC=C(C(C)C)C=C3)C=C2[O-])C1	REAL300003730404	0	45	-2.0	-142.38	375.38	8.90	-133.48
C=C1C[C@@H](C(=O)[O-])N(C(=O)C2=NN(C3=CC=C(F)C=C3C)C=C2[O-])C1	REAL300003730449	0	39	-2.0	-138.39	342.93	8.01	-130.38
C=C1C[C@@H](C(=O)[O-])N(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1	REAL300003730453	0	36	-2.0	-140.23	321.57	7.07	-133.16
C=C1C[C@@H](C(=O)[O-])N(C(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)C1	REAL300003730481	0	36	-2.0	-102.23	337.78	4.27	-97.96
C=C1C[C@@H](C(=O)[O-])N(C(=O)C2=CN=C(I)C([O-])=C2)C1	REAL300003730511	0	28	-2.0	-101.46	274.53	4.31	-97.15
C=C1C[C@@H](C(=O)[O-])N(C(=O)C2=NN(C3=CC(C)=CC=C3F)C=C2[O-])C1	REAL300003730543	0	39	-2.0	-147.74	341.23	7.38	-140.36
C=C1C[C@@H](C(=O)[O-])N(C(=O)C2=NN(C3=CC=CC=C3CC)C=C2[O-])C1	REAL300003730544	0	42	-2.0	-146.27	353.84	8.60	-137.67
C=C1C[C@@H](C(=O)[O-])N(C(=O)CC2=C(C)N=C(C3=CC=NC=C3)[N-]C2=O)C1	REAL300003730568	1	42	-2.0	-122.79	362.02	5.75	-117.04
C=C1C[C@@H](C(=O)[O-])N(C(=O)C2=CC(Cl)=C([O-])C(OCC)=C2)C1	REAL300003730642	1	36	-2.0	-108.23	320.03	6.73	-101.50
C=C1C[C@@H](C(=O)[O-])N(C(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])C1	REAL300003730645	0	39	-2.0	-149.25	347.89	7.99	-141.26
C=C1C[C@@H](C(=O)[O-])N(C(=O)C2=NN(C3=CC=C(OC)C=C3)C=C2[O-])C1	REAL300003730649	0	40	-2.0	-141.90	344.66	6.28	-135.62
C=C1C[C@@H](C(=O)[O-])N(C(=O)C2=COC(S(=O)(=O)[N-]C)=C2)C1	REAL300003730659	1	33	-2.0	-102.01	305.66	0.69	-101.32
C=C1C[C@@H](C(=O)[O-])N(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300003730749	0	32	-2.0	-96.49	291.08	4.38	-92.11
C=C1C[C@@H](C(=O)[O-])N(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300003730749	1	32	-2.0	-96.41	291.15	4.39	-92.02
C=C1C[C@@H](C(=O)[O-])N(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300003730940	1	37	-2.0	-119.59	318.42	5.42	-114.17
C=C1C[C@@H](C(=O)[O-])N(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300003731088	0	29	-2.0	-119.50	288.36	7.15	-112.35
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC2CCOCC2)C(=O)[O-])O1	REAL300003732718	1	42	-2.0	-96.42	367.94	0.06	-96.36
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(CC2CCOCC2)C(=O)[O-])=CS1	REAL300003733179	1	49	-2.0	-115.38	405.23	5.25	-110.13
O=C([O-])C(CC1CCOCC1)NC(=O)C1=CC=C([O-])C(F)=C1	REAL300003734244	1	38	-2.0	-101.89	320.47	4.35	-97.54
O=C([O-])C(CC1CCOCC1)NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300003734254	1	41	-2.0	-116.96	347.17	7.61	-109.35
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(CC2CCOCC2)C(=O)[O-])C=N1	REAL300003734341	0	44	-2.0	-103.33	372.34	3.12	-100.21
O=C([O-])C(CC1CCOCC1)NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300003734364	1	43	-2.0	-110.07	349.67	4.59	-105.48
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(CC2CCOCC2)C(=O)[O-])=N1	REAL300003734480	0	48	-2.0	-127.75	402.78	6.56	-121.19
O=C([O-])C(CC1CCOCC1)NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300003734485	0	45	-2.0	-128.88	381.46	5.61	-123.27
O=C([O-])C(CC1CCOCC1)NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300003734514	1	43	-2.0	-133.67	354.62	6.49	-127.18
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(CC3CCOCC3)C(=O)[O-])=N2)=C1	REAL300003734648	0	48	-2.0	-136.17	399.80	6.20	-129.97
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CC2CCOCC2)C(=O)[O-])=N1	REAL300003734649	0	51	-2.0	-134.93	416.31	7.27	-127.66
O=C([O-])C(CC1CCOCC1)NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300003734760	0	38	-2.0	-96.78	336.48	4.90	-91.88
COC1=C(C(=O)NC(CC2CCOCC2)C(=O)[O-])NC(=O)[N-]C1=O	REAL300003734771	1	41	-2.0	-98.29	339.01	0.71	-97.58
O=C(CCCC1=N[N-]N=N1)NC(CC1CCOCC1)C(=O)[O-]	REAL300003734845	0	41	-2.0	-105.66	340.26	3.13	-102.53
O=C(CCCC1=NN=N[N-]1)NC(CC1CCOCC1)C(=O)[O-]	REAL300003734845	1	41	-2.0	-105.69	340.31	3.14	-102.55
O=C([O-])C(CC1CCOCC1)NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300003734876	0	38	-2.0	-99.15	331.11	4.77	-94.38
CCOC1=CC(C(=O)NC(CC2CCOCC2)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300003734880	1	45	-2.0	-101.45	377.71	6.62	-94.83
COC1=CC=C(N2C=C([O-])C(C(=O)NC(CC3CCOCC3)C(=O)[O-])=N2)C=C1	REAL300003734886	0	49	-2.0	-130.96	405.36	4.80	-126.16
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CC2CCOCC2)C(=O)[O-])=CO1	REAL300003734901	1	42	-2.0	-101.31	362.87	0.75	-100.56
O=C([O-])C(CC1CCOCC1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300003735035	0	41	-2.0	-90.91	350.85	2.93	-87.98
O=C([O-])C(CC1CCOCC1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300003735035	1	41	-2.0	-90.89	350.91	2.94	-87.95
COCC1=NC=C(C(=O)NC(CC2CCOCC2)C(=O)[O-])C(=O)[N-]1	REAL300003735288	1	43	-2.0	-109.52	351.68	2.22	-107.30
O=C([O-])C(CC1CCOCC1)NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300003735331	1	46	-2.0	-110.43	365.67	5.08	-105.35
O=C([O-])C(CC1CCOCC1)NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300003735569	0	38	-2.0	-112.95	341.24	7.65	-105.30
CC1=C(CCC(=O)N[C@@H](CC(C)C)C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300003736286	1	53	-2.0	-115.17	421.14	6.79	-108.38
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1	REAL300003736815	1	45	-2.0	-128.88	386.57	9.66	-119.22
CC(C)C[C@H](NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300003736961	1	47	-2.0	-107.13	402.44	6.79	-100.34
CC(C)C[C@H](NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300003736962	1	47	-2.0	-112.50	403.21	6.84	-105.66
CC1=CC(C(=O)N[C@@H](CC(C)C)C(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300003736973	0	43	-2.0	-91.93	384.72	4.92	-87.01
CC(C)C[C@H](NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300003737156	0	44	-2.0	-105.55	395.22	5.74	-99.81
CC(C)C[C@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300003737174	1	46	-2.0	-97.37	389.80	3.04	-94.33
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@@H](CC(C)C)C(=O)[O-])O1	REAL300003737175	1	37	-2.0	-96.15	334.35	0.64	-95.51
CC(C)C[C@H](NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C(=O)[O-]	REAL300003737400	0	44	-2.0	-110.68	395.39	5.78	-104.90
CC(C)C[C@H](NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1)C(=O)[O-]	REAL300003737652	1	44	-2.0	-111.07	376.10	4.99	-106.08
CC1=C(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003737828	1	46	-2.0	-116.43	386.85	5.13	-111.30
CC(C)C[C@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300003737958	1	47	-2.0	-100.28	402.63	6.82	-93.46
CC(C)C[C@H](NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300003738492	1	36	-2.0	-118.48	318.88	7.31	-111.17
CC(C)C[C@H](NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300003738560	0	39	-2.0	-103.90	343.53	2.98	-100.92
CC(C)C[C@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300003738606	1	46	-2.0	-96.73	398.50	4.94	-91.79
CC(C)C[C@H](NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-])C(=O)[O-]	REAL300003738620	0	49	-2.0	-133.18	403.33	7.96	-125.22
CC(C)C[C@H](NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])C(=O)[O-]	REAL300003738621	0	49	-2.0	-131.78	403.07	7.97	-123.81
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@@H](CC(C)C)C(=O)[O-])=N1	REAL300003738667	0	43	-2.0	-127.44	365.45	6.98	-120.46
CC(C)C[C@H](NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300003738671	0	40	-2.0	-128.99	349.53	6.06	-122.93
CC(C)C[C@H](NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(=O)[O-]	REAL300003738687	1	38	-2.0	-134.14	321.86	7.01	-127.13
CC(C)C[C@H](NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300003738703	0	40	-2.0	-96.55	364.75	4.27	-92.28
CC(C)C[C@H](NC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300003738735	0	32	-2.0	-99.80	303.43	3.93	-95.87
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@@H](CC(C)C)C(=O)[O-])=N2)=C1	REAL300003738768	0	43	-2.0	-136.30	367.83	6.69	-129.61
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@@H](CC(C)C)C(=O)[O-])=N1	REAL300003738769	0	46	-2.0	-134.55	377.40	7.79	-126.76
CC1=C(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003738797	1	46	-2.0	-114.00	386.81	5.14	-108.86
CC(C)C[C@H](NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300003738824	0	33	-2.0	-97.38	304.54	5.39	-91.99
CCOC1=CC(C(=O)N[C@@H](CC(C)C)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300003738884	1	40	-2.0	-102.32	349.39	6.36	-95.96
CC(C)C[C@H](NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300003738887	0	43	-2.0	-137.27	372.19	7.52	-129.75
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@@H](CC(C)C)C(=O)[O-])=N2)C=C1	REAL300003738891	0	44	-2.0	-131.31	372.56	5.35	-125.96
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@@H](CC(C)C)C(=O)[O-])=CO1	REAL300003738901	1	37	-2.0	-103.04	334.32	0.52	-102.52
CC(C)C[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300003738996	0	36	-2.0	-90.92	318.04	3.47	-87.45
CC(C)C[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300003738996	1	36	-2.0	-90.86	318.11	3.47	-87.39
CC(C)C[C@H](NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(=O)[O-]	REAL300003739199	1	41	-2.0	-111.44	337.35	4.88	-106.56
CC(C)C[C@H](NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300003739362	0	33	-2.0	-114.40	312.12	7.43	-106.97
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC(C(=O)[O-])C2CCOCC2)C=C1	REAL300003740552	1	47	-2.0	-127.72	394.60	8.38	-119.34
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C2CCOCC2)O1	REAL300003740909	1	48	-2.0	-99.41	395.86	1.51	-97.90
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C2CCOCC2)O1	REAL300003740910	1	39	-2.0	-97.98	340.41	-0.90	-98.88
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(C(=O)[O-])C2CCOCC2)=CS1	REAL300003741397	1	46	-2.0	-119.41	382.17	3.51	-115.90
CC1=C(CC(=O)NC(C(=O)[O-])C2CCOCC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003741593	1	48	-2.0	-131.15	393.57	3.64	-127.51
O=C([O-])C(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1CCOCC1	REAL300003742470	1	38	-2.0	-119.28	330.21	6.04	-113.24
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(C(=O)[O-])C2CCOCC2)C=N1	REAL300003742556	0	41	-2.0	-102.90	352.19	1.61	-101.29
O=C([O-])C(NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C1CCOCC1	REAL300003742578	1	40	-2.0	-110.84	333.00	3.01	-107.83
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3CCOCC3)=N2)=C1	REAL300003742630	0	51	-2.0	-135.95	409.18	6.40	-129.55
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3CCOCC3)=N2)C=C1	REAL300003742631	0	51	-2.0	-134.48	409.10	6.40	-128.08
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(C(=O)[O-])C2CCOCC2)=N1	REAL300003742693	0	45	-2.0	-131.13	376.64	5.50	-125.63
O=C([O-])C(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1CCOCC1	REAL300003742698	0	42	-2.0	-131.97	355.33	4.55	-127.42
O=C([O-])C(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1CCOCC1	REAL300003742723	1	40	-2.0	-137.10	328.48	5.43	-131.67
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3CCOCC3)=N2)=C1	REAL300003742853	0	45	-2.0	-139.03	373.66	5.13	-133.90
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(C(=O)[O-])C2CCOCC2)=N1	REAL300003742854	0	48	-2.0	-137.63	389.59	6.28	-131.35
CC1=C(CC(=O)NC(C(=O)[O-])C2CCOCC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003742904	1	48	-2.0	-129.80	392.85	3.59	-126.21
O=C([O-])C(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1CCOCC1	REAL300003742949	0	35	-2.0	-97.23	315.87	4.06	-93.17
COC1=C(C(=O)NC(C(=O)[O-])C2CCOCC2)NC(=O)[N-]C1=O	REAL300003742956	1	38	-2.0	-97.00	319.11	-0.87	-97.87
O=C([O-])C(NC(=O)C1=CC=C([O-])C(Cl)=C1)C1CCOCC1	REAL300003743050	0	35	-2.0	-97.45	307.72	4.04	-93.41
CCOC1=CC(C(=O)NC(C(=O)[O-])C2CCOCC2)=CC(Cl)=C1[O-]	REAL300003743053	1	42	-2.0	-102.48	360.72	5.04	-97.44
COC1=CC=C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3CCOCC3)=N2)C=C1	REAL300003743061	0	46	-2.0	-134.20	378.39	3.78	-130.42
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C(=O)[O-])C2CCOCC2)=CO1	REAL300003743075	1	39	-2.0	-105.70	340.11	-1.00	-106.70
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCOCC1	REAL300003743202	0	38	-2.0	-93.62	323.88	1.90	-91.72
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCOCC1	REAL300003743202	1	38	-2.0	-93.59	323.95	1.91	-91.68
COCC1=NC=C(C(=O)NC(C(=O)[O-])C2CCOCC2)C(=O)[N-]1	REAL300003743444	1	40	-2.0	-109.30	334.70	0.65	-108.65
O=C([O-])C(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1CCOCC1	REAL300003743481	1	43	-2.0	-109.74	345.84	3.55	-106.19
O=C([O-])C(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CCOCC1	REAL300003743712	0	35	-2.0	-115.22	324.27	6.07	-109.15
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)=C1	REAL300003745796	0	45	-2.0	-100.18	365.49	5.80	-94.38
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1	REAL300003746111	0	45	-2.0	-101.66	367.41	5.55	-96.11
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)C=C1	REAL300003746161	1	47	-2.0	-106.06	388.34	11.39	-94.67
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)O1	REAL300003746604	1	48	-2.0	-88.86	390.06	4.71	-84.15
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)O1	REAL300003746605	1	39	-2.0	-88.05	334.61	2.30	-85.75
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1	REAL300003746878	0	42	-2.0	-100.32	345.95	4.65	-95.67
CC(C)C(=O)[N-]C1=NC(CC(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)=CS1	REAL300003747247	1	46	-2.0	-115.79	380.28	6.19	-109.60
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1	REAL300003747483	0	42	-2.0	-116.21	350.67	4.68	-111.53
CC1=C(CC(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003747486	1	48	-2.0	-119.70	388.93	6.34	-113.36
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1	REAL300003747489	0	48	-2.0	-102.23	388.91	6.33	-95.90
CC1=C(C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300003747569	1	48	-2.0	-108.97	372.98	6.11	-102.86
O=C([O-])[C@]12CCC[C@H]1CN(C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C2	REAL300003748600	1	38	-2.0	-129.40	320.69	7.78	-121.62
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)C=N1	REAL300003748708	0	41	-2.0	-107.27	344.82	3.67	-103.60
O=C([O-])[C@]12CCC[C@H]1CN(C(=O)C1=CN=C(C3CC3)[N-]C1=O)C2	REAL300003748741	1	40	-2.0	-131.50	330.70	5.14	-126.36
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3C[C@@H]4CCC[C@]4(C(=O)[O-])C3)=N2)=C1	REAL300003748799	0	51	-2.0	-135.56	404.07	9.42	-126.14
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3C[C@@H]4CCC[C@]4(C(=O)[O-])C3)=N2)C=C1	REAL300003748800	0	51	-2.0	-134.30	403.99	9.42	-124.88
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)=N1	REAL300003748890	0	45	-2.0	-110.48	370.18	8.85	-101.63
O=C([O-])[C@]12CCC[C@H]1CN(C(=O)C1=NN(C3=CC=CC(F)=C3)C=C1[O-])C2	REAL300003748895	0	42	-2.0	-132.29	350.21	7.56	-124.73
O=C([O-])[C@]12CCC[C@H]1CN(C(=O)C1=C([O-])C3=CC=CC=C3C=N1)C2	REAL300003748926	1	40	-2.0	-131.09	322.43	8.65	-122.44
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3C[C@@H]4CCC[C@]4(C(=O)[O-])C3)=N2)=C1	REAL300003749079	0	45	-2.0	-117.92	367.29	8.61	-109.31
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)=N1	REAL300003749080	0	48	-2.0	-116.93	381.67	9.47	-107.46
CC1=C(CC(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003749151	1	48	-2.0	-117.58	389.12	6.33	-111.25
O=C([O-])[C@]12CCC[C@H]1CN(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)C2	REAL300003749201	0	35	-2.0	-104.80	304.19	6.16	-98.64
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CO[C@@H](CNC(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O)C(=O)[O-]	REAL300003756755	1	48	-2.0	-100.66	395.88	4.04	-96.62
CO[C@@H](CNC(=O)C1=CC(C)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300003757076	0	38	-2.0	-104.22	337.83	1.85	-102.37
CO[C@@H](CNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1)C(=O)[O-]	REAL300003757328	1	42	-2.0	-99.73	383.82	4.10	-95.63
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC[C@H](OC)C(=O)[O-]	REAL300003757369	0	38	-2.0	-105.26	337.90	2.07	-103.19
CO[C@@H](CNC(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1)C(=O)[O-]	REAL300003757410	1	40	-2.0	-109.12	360.49	7.00	-102.12
CO[C@@H](CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300003757459	1	42	-2.0	-91.74	383.61	4.12	-87.62
CO[C@@H](CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C)C=C1)C(=O)[O-]	REAL300003757461	1	45	-2.0	-93.85	397.08	4.82	-89.03
CO[C@@H](CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300003757579	1	42	-2.0	-97.96	377.20	4.05	-93.91
CO[C@@H](CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300003757580	1	42	-2.0	-102.62	377.38	4.05	-98.57
CO[C@@H](CNC(=O)C1=CC=C([N-]S(=O)(=O)C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300003757593	0	38	-2.0	-83.47	358.63	2.23	-81.24
CO[C@@H](CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2)C=C1)C(=O)[O-]	REAL300003757721	1	45	-2.0	-94.66	398.79	4.73	-89.93
CO[C@@H](CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300003757805	0	39	-2.0	-96.46	369.13	3.06	-93.40
CO[C@@H](CNC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300003757822	1	41	-2.0	-89.52	363.87	0.31	-89.21
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC[C@H](OC)C(=O)[O-])O1	REAL300003757823	1	32	-2.0	-88.72	309.11	-2.12	-90.84
CO[C@@H](CNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2)=C1)C(=O)[O-]	REAL300003757940	1	45	-2.0	-106.42	398.81	4.71	-101.71
CO[C@@H](CNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2)=C1)C(=O)[O-]	REAL300003757980	1	45	-2.0	-106.78	398.80	4.72	-102.06
CO[C@@H](CNC(=O)C1=CC(NC(C)=O)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300003758051	0	42	-2.0	-110.01	373.05	0.06	-109.95
CO[C@@H](CNC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300003758100	0	35	-2.0	-103.80	316.44	1.16	-102.64
CO[C@@H](CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C(=O)[O-]	REAL300003758107	0	39	-2.0	-101.08	369.32	3.06	-98.02
CO[C@@H](CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300003758108	0	42	-2.0	-109.81	393.97	3.74	-106.07
CO[C@@H](CNC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1)C(=O)[O-]	REAL300003758426	1	39	-2.0	-104.69	350.86	2.28	-102.41
CO[C@@H](CNC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300003758607	0	35	-2.0	-96.96	322.84	1.24	-95.72
CO[C@@H](CNC(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O)C(=O)[O-]	REAL300003758615	1	41	-2.0	-110.42	360.78	2.44	-107.98
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC[C@H](OC)C(=O)[O-]	REAL300003758620	0	41	-2.0	-105.71	359.40	2.85	-102.86
CO[C@@H](CNC(=O)C1=C(C)N=C(C(C)(C)C)[N-]C1=O)C(=O)[O-]	REAL300003758673	1	41	-2.0	-97.68	340.52	2.66	-95.02
CO[C@@H](CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300003758778	1	42	-2.0	-93.99	377.39	4.05	-89.94
CO[C@@H](CNC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300003759218	0	41	-2.0	-108.76	362.54	3.43	-105.33
CO[C@@H](CNC(=O)C1=CC(Br)=C([O-])C(Br)=C1)C(=O)[O-]	REAL300003759302	0	28	-2.0	-86.06	296.82	3.37	-82.69
CO[C@@H](CNC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300003759355	1	31	-2.0	-104.85	292.57	4.65	-100.20
CO[C@@H](CNC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300003759432	0	34	-2.0	-95.09	317.70	0.20	-94.89
CO[C@@H](CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300003759488	1	41	-2.0	-90.31	372.20	2.29	-88.02
CO[C@@H](CNC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-])C(=O)[O-]	REAL300003759503	0	44	-2.0	-116.90	377.25	5.24	-111.66
CO[C@@H](CNC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])C(=O)[O-]	REAL300003759504	0	44	-2.0	-115.65	377.23	5.26	-110.39
CO[C@@H](CNC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-])C(=O)[O-]	REAL300003759562	0	38	-2.0	-112.65	344.79	4.35	-108.30
CO[C@@H](CNC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300003759565	0	35	-2.0	-114.70	323.45	3.39	-111.31
CO[C@@H](CNC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300003759593	0	35	-2.0	-87.70	338.93	1.48	-86.22
CO[C@@H](CNC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300003759625	0	27	-2.0	-90.34	277.95	1.23	-89.11
CO[C@@H](CNC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-])C(=O)[O-]	REAL300003759665	0	38	-2.0	-120.02	341.79	3.98	-116.04
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC[C@H](OC)C(=O)[O-])=N1	REAL300003759666	0	41	-2.0	-118.41	358.08	5.06	-113.35
CO[C@@H](CNC(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O)C(=O)[O-]	REAL300003759692	1	41	-2.0	-108.99	360.97	2.43	-106.56
CCOC1=CC(C(=O)NC[C@H](OC)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300003759767	1	35	-2.0	-93.48	323.09	3.64	-89.84
CO[C@@H](CNC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300003759771	0	38	-2.0	-120.06	346.72	4.75	-115.31
COC1=CC=C(N2C=C([O-])C(C(=O)NC[C@H](OC)C(=O)[O-])=N2)C=C1	REAL300003759777	0	39	-2.0	-115.33	346.53	2.63	-112.70
C[N-]S(=O)(=O)C1=CC(C(=O)NC[C@H](OC)C(=O)[O-])=CO1	REAL300003759792	1	32	-2.0	-95.52	308.23	-2.16	-97.68
CO[C@@H](CNC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300003760271	0	28	-2.0	-100.98	286.87	4.69	-96.29
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CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])=C1	REAL300003761516	0	45	-2.0	-107.63	392.78	5.19	-102.44
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-]	REAL300003761780	0	45	-2.0	-108.48	392.85	5.41	-103.07
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])O1	REAL300003762191	1	39	-2.0	-93.20	363.83	1.20	-92.00
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-]	REAL300003762426	0	42	-2.0	-107.12	371.39	4.52	-102.60
CC(C)C(=O)[N-]C1=NC(CC(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])=CS1	REAL300003762755	1	46	-2.0	-107.01	405.56	5.62	-101.39
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CCOC1=CC(C(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300003764965	1	42	-2.0	-97.02	378.05	6.97	-90.05
COC1=CC=C(N2C=C([O-])C(C(=O)NC[C@@H](OC3=CC=CC=C3)C(=O)[O-])=N2)C=C1	REAL300003764974	0	46	-2.0	-120.21	401.25	5.97	-114.24
C[N-]S(=O)(=O)C1=CC(C(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])=CO1	REAL300003764998	1	39	-2.0	-97.31	362.97	1.19	-96.12
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COCC1=NC=C(C(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C(=O)[N-]1	REAL300003765501	1	40	-2.0	-103.15	352.24	2.61	-100.54
O=C([O-])[C@@H](CNC(=O)C1=CN=C(C2CCC2)[N-]C1=O)OC1=CC=CC=C1	REAL300003765551	1	43	-2.0	-104.08	366.03	5.50	-98.58
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CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)=C1	REAL300003767115	0	38	-2.0	-107.96	343.59	3.50	-104.46
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F	REAL300003767430	0	38	-2.0	-109.00	342.73	3.69	-105.31
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CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)O1	REAL300003767929	1	41	-2.0	-88.61	370.11	1.94	-86.67
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CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F	REAL300003768205	0	35	-2.0	-107.38	321.26	2.78	-104.60
CC(C)C(=O)[N-]C1=NC(CC(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)=CS1	REAL300003768576	1	39	-2.0	-109.80	356.42	3.94	-105.86
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F	REAL300003768812	0	35	-2.0	-100.09	328.61	2.89	-97.20
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F	REAL300003768818	0	41	-2.0	-109.49	364.23	4.48	-105.01
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F	REAL300003769707	0	41	-2.0	-112.97	368.08	5.10	-107.87
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CS(=O)(=O)[N-]C1=CC=C(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)C=N1	REAL300003770017	0	34	-2.0	-95.98	323.27	1.86	-94.12
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC[C@H]3[C@@H](C(=O)[O-])C3(F)F)=N2)=C1	REAL300003770106	0	44	-2.0	-120.09	382.85	6.92	-113.17
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC[C@H]3[C@@H](C(=O)[O-])C3(F)F)=N2)C=C1	REAL300003770107	0	44	-2.0	-119.22	382.77	6.92	-112.30
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)=N1	REAL300003770192	0	38	-2.0	-116.25	350.37	6.01	-110.24
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O=C([O-])[C@@H]1[C@H](CNC(=O)C2=CN=C(I)C([O-])=C2)C1(F)F	REAL300003770299	0	27	-2.0	-93.81	283.72	2.89	-90.92
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC[C@H]3[C@@H](C(=O)[O-])C3(F)F)=N2)=C1	REAL300003770365	0	38	-2.0	-123.80	347.35	5.65	-118.15
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)=N1	REAL300003770366	0	41	-2.0	-121.43	356.84	6.79	-114.64
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COC1=C(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)NC(=O)[N-]C1=O	REAL300003770493	1	31	-2.0	-92.57	290.17	-0.58	-93.15
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CCOC1=CC(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)=CC(Cl)=C1[O-]	REAL300003770614	1	35	-2.0	-95.32	328.87	5.30	-90.02
COC1=CC=C(N2C=C([O-])C(C(=O)NC[C@H]3[C@@H](C(=O)[O-])C3(F)F)=N2)C=C1	REAL300003770626	0	39	-2.0	-119.10	352.07	4.30	-114.80
C[N-]S(=O)(=O)C1=CC(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)=CO1	REAL300003770647	1	32	-2.0	-99.57	313.78	-0.48	-100.05
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COCC1=NC=C(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)C(=O)[N-]1	REAL300003771094	1	33	-2.0	-94.51	302.90	0.93	-93.58
O=C([O-])[C@@H]1[C@H](CNC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1(F)F	REAL300003771425	0	28	-2.0	-105.34	291.47	6.31	-99.03
CC1=C(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300003771706	1	36	-2.0	-98.74	326.52	3.41	-95.33
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CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC2=CC(C(=O)[O-])=CC=C2C1	REAL300003773088	0	45	-2.0	-105.85	382.00	6.97	-98.88
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC3=CC(C(=O)[O-])=CC=C3C2)O1	REAL300003773510	1	39	-2.0	-93.10	348.86	3.31	-89.79
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC2=CC(C(=O)[O-])=CC=C2C1	REAL300003773753	0	42	-2.0	-104.37	360.55	6.07	-98.30
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC3=CC(C(=O)[O-])=CC=C3C2)=CS1	REAL300003774087	1	46	-2.0	-105.03	393.42	7.65	-97.38
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCC2=CC(C(=O)[O-])=CC=C2C1	REAL300003774303	0	42	-2.0	-98.69	367.22	6.14	-92.55
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CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC3=CC(C(=O)[O-])=CC=C3C2)C=N1	REAL300003775571	0	41	-2.0	-101.56	358.23	5.18	-96.38
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COC1=C(C(=O)N2CCC3=CC(C(=O)[O-])=CC=C3C2)NC(=O)[N-]C1=O	REAL300003776131	1	38	-2.0	-94.54	333.45	1.65	-92.89
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CCOC1=CC(C(=O)N2CCC3=CC(C(=O)[O-])=CC=C3C2)=CC(Cl)=C1[O-]	REAL300003776274	1	42	-2.0	-97.44	364.20	8.62	-88.82
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C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC3=CC(C(=O)[O-])=CC=C3C2)=CO1	REAL300003776307	1	39	-2.0	-99.82	346.98	2.95	-96.87
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O=C([O-])C1=CC=C2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CCC2=C1	REAL300003776469	0	38	-2.0	-89.43	331.37	6.60	-82.83
O=C([O-])C1=CC=C2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CCC2=C1	REAL300003776469	1	38	-2.0	-89.38	331.44	6.61	-82.77
COCC1=NC=C(C(=O)N2CCC3=CC(C(=O)[O-])=CC=C3C2)C(=O)[N-]1	REAL300003776805	1	40	-2.0	-103.27	346.44	4.18	-99.09
O=C([O-])C1=CC=C2CN(C(=O)C3=CN=C(C4CCC4)[N-]C3=O)CCC2=C1	REAL300003776854	1	43	-2.0	-93.27	352.21	7.03	-86.24
O=C([O-])C1=CC=C2CN(C(=O)C3=CC(Cl)=CC(Cl)=C3[O-])CCC2=C1	REAL300003777180	0	35	-2.0	-100.04	330.63	9.03	-91.01
CC1=C(CCC(=O)N2CCC(O)(C(=O)[O-])CC2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300003778768	1	52	-2.0	-96.71	408.62	4.78	-91.93
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC(O)(C(=O)[O-])CC2)=C1	REAL300003779123	0	42	-2.0	-103.67	354.04	2.14	-101.53
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(O)(C(=O)[O-])CC1	REAL300003779433	0	42	-2.0	-104.74	353.08	2.32	-102.42
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCC(O)(C(=O)[O-])CC2)C=C1	REAL300003779483	1	44	-2.0	-100.75	372.87	7.69	-93.06
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(O)(C(=O)[O-])CC2)O1	REAL300003779935	1	45	-2.0	-94.86	373.49	0.94	-93.92
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(O)(C(=O)[O-])CC2)O1	REAL300003779936	1	36	-2.0	-93.96	318.72	-1.50	-95.46
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC(O)(C(=O)[O-])CC2)=C1	REAL300003780167	0	46	-2.0	-111.66	387.88	0.30	-111.36
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(O)(C(=O)[O-])CC1	REAL300003780213	0	39	-2.0	-103.24	331.61	1.42	-101.82
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC(O)(C(=O)[O-])CC2)=CS1	REAL300003780585	1	43	-2.0	-98.60	363.56	3.03	-95.57
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCC(O)(C(=O)[O-])CC1	REAL300003780822	0	39	-2.0	-96.57	339.07	1.52	-95.05
CC1=C(CC(=O)N2CCC(O)(C(=O)[O-])CC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003780825	1	45	-2.0	-102.68	373.54	3.20	-99.48
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(O)(C(=O)[O-])CC1	REAL300003780828	0	45	-2.0	-105.30	374.58	3.11	-102.19
CC1=C(C(=O)N2CCC(O)(C(=O)[O-])CC2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300003780899	1	45	-2.0	-107.34	362.23	2.76	-104.58
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)N1CCC(O)(C(=O)[O-])CC1	REAL300003781663	0	45	-2.0	-108.74	377.60	3.67	-105.07
O=C([O-])C1(O)CCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CC1	REAL300003781857	1	35	-2.0	-103.76	308.71	3.83	-99.93
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC(O)(C(=O)[O-])CC2)C=N1	REAL300003781958	0	38	-2.0	-94.18	329.11	0.47	-93.71
O=C([O-])C1(O)CCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)CC1	REAL300003781988	1	37	-2.0	-105.42	314.45	1.97	-103.45
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC(O)(C(=O)[O-])CC3)=N2)=C1	REAL300003782042	0	48	-2.0	-112.89	386.87	6.17	-106.72
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC(O)(C(=O)[O-])CC3)=N2)C=C1	REAL300003782043	0	48	-2.0	-111.99	386.74	6.17	-105.82
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC(O)(C(=O)[O-])CC2)=N1	REAL300003782121	0	42	-2.0	-105.42	358.55	4.79	-100.63
O=C([O-])C1(O)CCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CC1	REAL300003782126	0	39	-2.0	-111.39	332.96	4.32	-107.07
O=C([O-])C1(O)CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)CC1	REAL300003782152	1	37	-2.0	-113.58	309.06	4.87	-108.71
O=C([O-])C1(O)CCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)CC1	REAL300003782172	0	39	-2.0	-86.96	350.36	1.85	-85.11
O=C([O-])C1(O)CCN(C(=O)C2=CN=C(I)C([O-])=C2)CC1	REAL300003782221	0	31	-2.0	-85.91	291.25	1.65	-84.26
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC(O)(C(=O)[O-])CC3)=N2)=C1	REAL300003782286	0	42	-2.0	-116.01	351.30	4.91	-111.10
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC(O)(C(=O)[O-])CC2)=N1	REAL300003782287	0	45	-2.0	-111.06	372.29	5.43	-105.63
CC1=C(CC(=O)N2CCC(O)(C(=O)[O-])CC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003782347	1	45	-2.0	-101.07	374.64	3.22	-97.85
O=C([O-])C1(O)CCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)CC1	REAL300003782392	0	32	-2.0	-88.92	289.92	3.01	-85.91
COC1=C(C(=O)N2CCC(O)(C(=O)[O-])CC2)NC(=O)[N-]C1=O	REAL300003782400	1	35	-2.0	-92.25	303.25	-3.01	-95.26
CCOC1=CC(C(=O)N2CCC(O)(C(=O)[O-])CC2)=CC(Cl)=C1[O-]	REAL300003782506	1	39	-2.0	-93.40	335.19	4.02	-89.38
O=C([O-])C1(O)CCN(C(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])CC1	REAL300003782510	0	42	-2.0	-119.89	361.56	5.15	-114.74
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC(O)(C(=O)[O-])CC3)=N2)C=C1	REAL300003782518	0	43	-2.0	-112.19	356.33	3.59	-108.60
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(O)(C(=O)[O-])CC2)=CO1	REAL300003782538	1	36	-2.0	-90.16	317.85	-1.70	-91.86
O=C([O-])C1(O)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300003782669	0	35	-2.0	-84.75	302.22	1.90	-82.85
O=C([O-])C1(O)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300003782669	1	35	-2.0	-84.74	302.28	1.90	-82.84
COCC1=NC=C(C(=O)N2CCC(O)(C(=O)[O-])CC2)C(=O)[N-]1	REAL300003782946	1	37	-2.0	-94.98	311.09	-0.53	-95.51
O=C([O-])C1(O)CCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)CC1	REAL300003782987	1	40	-2.0	-105.01	330.30	2.52	-102.49
O=C([O-])C1(O)CCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300003783247	0	32	-2.0	-98.39	298.81	4.69	-93.70
CC1=C(C(=O)N2CCC(O)(C(=O)[O-])CC2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300003783507	0	40	-2.0	-110.61	342.10	1.96	-108.65
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])O1	REAL300003784823	1	39	-2.0	-96.77	338.87	3.54	-93.23
CC(C)C(=O)[N-]C1=NC(CC(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])=CS1	REAL300003785279	1	46	-2.0	-111.22	387.98	7.91	-103.31
COC1=CC=C(C(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])C([O-])=C1	REAL300003785909	1	39	-2.0	-144.48	321.95	8.11	-136.37
O=C([O-])CC1CC2=CC=CC=C2N1C(=O)C1=CC=C([O-])C(F)=C1	REAL300003786347	1	35	-2.0	-116.54	299.58	8.76	-107.78
O=C([O-])CC1CC2=CC=CC=C2N1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300003786358	1	38	-2.0	-136.94	331.50	9.80	-127.14
O=C([O-])CC1CC2=CC=CC=C2N1C(=O)CCC1=N[N-]N=N1	REAL300003786386	0	35	-2.0	-92.61	297.59	5.79	-86.82
O=C([O-])CC1CC2=CC=CC=C2N1C(=O)CCC1=NN=N[N-]1	REAL300003786386	1	35	-2.0	-92.59	297.65	5.81	-86.78
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])C=N1	REAL300003786456	0	41	-2.0	-121.67	355.07	6.83	-114.84
O=C([O-])CC1CC2=CC=CC=C2N1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300003786480	1	40	-2.0	-133.72	334.34	8.04	-125.68
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])=N1	REAL300003786597	0	45	-2.0	-151.36	378.64	10.87	-140.49
O=C([O-])CC1CC2=CC=CC=C2N1C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300003786602	0	42	-2.0	-151.84	356.98	10.36	-141.48
O=C([O-])CC1CC2=CC=CC=C2N1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300003786631	0	40	-2.0	-150.24	331.88	9.20	-141.04
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3C4=CC=CC=C4CC3CC(=O)[O-])=N2)=C1	REAL300003786767	0	45	-2.0	-161.14	376.03	10.61	-150.53
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])=N1	REAL300003786768	0	48	-2.0	-153.24	391.89	11.31	-141.93
O=C([O-])CC1CC2=CC=CC=C2N1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300003786881	0	35	-2.0	-112.57	315.61	9.31	-103.26
O=C([O-])CC1CC2=CC=CC=C2N1C(=O)CCCC1=N[N-]N=N1	REAL300003786968	0	38	-2.0	-103.08	318.57	6.58	-96.50
O=C([O-])CC1CC2=CC=CC=C2N1C(=O)CCCC1=NN=N[N-]1	REAL300003786968	1	38	-2.0	-103.07	318.62	6.60	-96.47
O=C([O-])CC1CC2=CC=CC=C2N1C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300003786999	0	35	-2.0	-113.87	309.35	9.23	-104.64
CCOC1=CC(C(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])=CC(Cl)=C1[O-]	REAL300003787003	1	42	-2.0	-118.59	360.43	10.28	-108.31
COC1=CC=C(N2C=C([O-])C(C(=O)N3C4=CC=CC=C4CC3CC(=O)[O-])=N2)C=C1	REAL300003787009	0	46	-2.0	-126.81	385.90	8.15	-118.66
C[N-]S(=O)(=O)C1=CC(C(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])=CO1	REAL300003787025	1	39	-2.0	-112.22	343.10	4.60	-107.62
O=C([O-])CC1CC2=CC=CC=C2N1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300003787160	0	38	-2.0	-102.38	325.77	7.94	-94.44
O=C([O-])CC1CC2=CC=CC=C2N1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300003787160	1	38	-2.0	-102.33	325.86	7.93	-94.40
COCC1=NC=C(C(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])C(=O)[N-]1	REAL300003787420	1	40	-2.0	-132.59	336.15	5.70	-126.89
O=C([O-])CC1CC2=CC=CC=C2N1C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300003787462	1	43	-2.0	-133.96	350.07	8.59	-125.37
O=C([O-])CC1CC2=CC=CC=C2N1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300003787706	0	35	-2.0	-133.35	322.30	9.91	-123.44
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2C(C)CCC(C(=O)[O-])C2C)C=C1	REAL300003789034	1	49	-2.0	-100.64	392.02	11.22	-89.42
CC1CCC(C(=O)[O-])C(C)N1C(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300003789395	1	50	-2.0	-109.62	386.59	4.48	-105.14
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2C(C)CCC(C(=O)[O-])C2C)O1	REAL300003789396	1	41	-2.0	-108.27	332.97	1.94	-106.33
CC(C)C(=O)[N-]C1=NC(CC(=O)N2C(C)CCC(C(=O)[O-])C2C)=CS1	REAL300003789883	1	48	-2.0	-104.95	379.34	6.45	-98.50
CC1=C(CC(=O)N2C(C)CCC(C(=O)[O-])C2C)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003790081	1	50	-2.0	-101.06	384.29	6.27	-94.79
CC1CCC(C(=O)[O-])C(C)N1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300003790961	1	40	-2.0	-111.74	321.27	7.13	-104.61
CC1CCC(C(=O)[O-])C(C)N1C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300003791046	0	43	-2.0	-94.36	346.41	3.95	-90.41
CC1CCC(C(=O)[O-])C(C)N1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300003791067	1	42	-2.0	-104.01	330.32	5.34	-98.67
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3C(C)CCC(C(=O)[O-])C3C)=N2)=C1	REAL300003791119	0	53	-2.0	-121.47	402.45	9.55	-111.92
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3C(C)CCC(C(=O)[O-])C3C)=N2)C=C1	REAL300003791120	0	53	-2.0	-120.82	402.38	9.55	-111.27
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2C(C)CCC(C(=O)[O-])C2C)=N1	REAL300003791182	0	47	-2.0	-118.03	370.21	8.68	-109.35
CC1CCC(C(=O)[O-])C(C)N1C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300003791187	0	44	-2.0	-118.84	348.65	7.69	-111.15
CC1CCC(C(=O)[O-])C(C)N1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300003791211	1	42	-2.0	-114.24	322.17	8.81	-105.43
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3C(C)CCC(C(=O)[O-])C3C)=N2)=C1	REAL300003791337	0	47	-2.0	-125.66	366.94	8.27	-117.39
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2C(C)CCC(C(=O)[O-])C2C)=N1	REAL300003791338	0	50	-2.0	-117.83	387.05	8.76	-109.07
CC1=C(CC(=O)N2C(C)CCC(C(=O)[O-])C2C)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003791388	1	50	-2.0	-99.48	384.48	6.26	-93.22
CC1CCC(C(=O)[O-])C(C)N1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300003791432	0	37	-2.0	-88.60	306.93	6.19	-82.41
COC1=C(C(=O)N2C(C)CCC(C(=O)[O-])C2C)NC(=O)[N-]C1=O	REAL300003791439	1	40	-2.0	-90.61	317.68	0.33	-90.28
CC1CCC(C(=O)[O-])C(C)N1C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300003791532	0	37	-2.0	-93.33	297.09	6.31	-87.02
CCOC1=CC(C(=O)N2C(C)CCC(C(=O)[O-])C2C)=CC(Cl)=C1[O-]	REAL300003791535	1	44	-2.0	-93.09	351.81	7.17	-85.92
COC1=CC=C(N2C=C([O-])C(C(=O)N3C(C)CCC(C(=O)[O-])C3C)=N2)C=C1	REAL300003791543	0	48	-2.0	-120.78	371.72	6.93	-113.85
C[N-]S(=O)(=O)C1=CC(C(=O)N2C(C)CCC(C(=O)[O-])C2C)=CO1	REAL300003791557	1	41	-2.0	-89.68	333.84	1.68	-88.00
CC1CCC(C(=O)[O-])C(C)N1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300003791684	0	40	-2.0	-92.38	316.91	5.29	-87.09
CC1CCC(C(=O)[O-])C(C)N1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300003791684	1	40	-2.0	-92.36	316.98	5.29	-87.07
COCC1=NC=C(C(=O)N2C(C)CCC(C(=O)[O-])C2C)C(=O)[N-]1	REAL300003791930	1	42	-2.0	-95.09	320.56	2.85	-92.24
CC1CCC(C(=O)[O-])C(C)N1C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300003791967	1	45	-2.0	-94.38	332.85	5.63	-88.75
CC1CCC(C(=O)[O-])C(C)N1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300003792194	0	37	-2.0	-107.07	315.33	7.17	-99.90
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H](CC(=O)[O-])C2=CC=CC=C2Cl)O1	REAL300003793530	1	38	-2.0	-99.27	357.04	2.58	-96.69
O=C([O-])C[C@@H](NC(=O)C1=CC=C([O-])C(F)=C1)C1=CC=CC=C1Cl	REAL300003794845	1	34	-2.0	-97.42	310.33	6.82	-90.60
O=C([O-])C[C@@H](NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1=CC=CC=C1Cl	REAL300003794857	1	37	-2.0	-114.50	350.98	9.84	-104.66
O=C([O-])C[C@@H](NC(=O)CCC1=N[N-]N=N1)C1=CC=CC=C1Cl	REAL300003794896	0	34	-2.0	-97.74	318.07	5.36	-92.38
O=C([O-])C[C@@H](NC(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1Cl	REAL300003794896	1	34	-2.0	-97.74	318.15	5.38	-92.36
CS(=O)(=O)[N-]C1=CC=C(C(=O)N[C@H](CC(=O)[O-])C2=CC=CC=C2Cl)C=N1	REAL300003794952	0	40	-2.0	-103.53	365.84	5.02	-98.51
O=C([O-])C[C@@H](NC(=O)C1=CN=CC([O-])=C1)C1=CC=CC=C1Cl	REAL300003794999	1	33	-2.0	-104.38	309.35	5.43	-98.95
O=C([O-])C[C@@H](NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=CC=CC=C1Cl	REAL300003795103	1	39	-2.0	-127.48	344.55	8.98	-118.50
O=C([O-])C[C@@H](NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=CC=CC=C1Cl	REAL300003795333	0	34	-2.0	-98.51	336.51	7.88	-90.63
COC1=C(C(=O)N[C@H](CC(=O)[O-])C2=CC=CC=C2Cl)NC(=O)[N-]C1=O	REAL300003795346	1	37	-2.0	-100.74	342.67	2.89	-97.85
O=C([O-])C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1Cl	REAL300003795417	0	37	-2.0	-103.79	339.44	6.15	-97.64
O=C([O-])C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1Cl	REAL300003795417	1	37	-2.0	-103.80	339.50	6.17	-97.63
O=C([O-])C[C@@H](NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=CC=CC=C1Cl	REAL300003795446	0	34	-2.0	-95.08	320.13	7.30	-87.78
CCOC1=CC(C(=O)N[C@H](CC(=O)[O-])C2=CC=CC=C2Cl)=CC(Cl)=C1[O-]	REAL300003795449	1	41	-2.0	-99.83	371.18	8.34	-91.49
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@H](CC(=O)[O-])C2=CC=CC=C2Cl)=CO1	REAL300003795470	1	38	-2.0	-101.82	366.48	3.05	-98.77
O=C([O-])C[C@@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=C1Cl	REAL300003795595	0	37	-2.0	-89.77	339.95	5.46	-84.31
O=C([O-])C[C@@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=C1Cl	REAL300003795595	1	37	-2.0	-89.71	340.02	5.47	-84.24
O=C([O-])C[C@@H](NC(=O)C1=C[N-]N=CC1=O)C1=CC=CC=C1Cl	REAL300003795798	0	32	-2.0	-103.02	301.66	5.86	-97.16
COCC1=NC=C(C(=O)N[C@H](CC(=O)[O-])C2=CC=CC=C2Cl)C(=O)[N-]1	REAL300003795820	1	39	-2.0	-115.12	347.15	4.71	-110.41
O=C([O-])C[C@@H](NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=CC=CC=C1Cl	REAL300003796074	0	34	-2.0	-105.09	334.66	9.37	-95.72
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCCC(CCC(=O)[O-])C2)=C1	REAL300003797490	0	47	-2.0	-105.80	384.19	5.93	-99.87
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(CCC(=O)[O-])C1	REAL300003797800	0	47	-2.0	-104.83	384.30	6.15	-98.68
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCCC(CCC(=O)[O-])C2)C=C1	REAL300003797848	1	49	-2.0	-115.68	404.43	11.54	-104.14
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC(CCC(=O)[O-])C2)O1	REAL300003798289	1	50	-2.0	-113.13	401.69	5.01	-108.12
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC(CCC(=O)[O-])C2)O1	REAL300003798290	1	41	-2.0	-112.56	348.07	2.48	-110.08
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(CCC(=O)[O-])C1	REAL300003798562	0	44	-2.0	-103.42	362.84	5.25	-98.17
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCCC(CCC(=O)[O-])C2)=CS1	REAL300003798920	1	48	-2.0	-107.67	394.81	6.89	-100.78
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCCC(CCC(=O)[O-])C1	REAL300003799160	0	44	-2.0	-98.40	369.21	5.34	-93.06
CC1=C(CC(=O)N2CCCC(CCC(=O)[O-])C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003799163	1	50	-2.0	-111.90	404.73	7.07	-104.83
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(CCC(=O)[O-])C1	REAL300003799166	0	50	-2.0	-105.42	405.80	6.95	-98.47
CC1=C(C(=O)N2CCCC(CCC(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300003799247	1	50	-2.0	-107.68	393.48	6.62	-101.06
O=C([O-])CCC1CCCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300003800288	1	40	-2.0	-106.89	339.95	7.67	-99.22
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCCC(CCC(=O)[O-])C2)C=N1	REAL300003800395	0	43	-2.0	-100.43	361.44	4.46	-95.97
O=C([O-])CCC1CCCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300003800428	1	42	-2.0	-105.74	345.65	5.83	-99.91
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCCC(CCC(=O)[O-])C3)=N2)=C1	REAL300003800487	0	53	-2.0	-118.52	418.10	10.05	-108.47
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCCC(CCC(=O)[O-])C3)=N2)C=C1	REAL300003800488	0	53	-2.0	-117.74	418.07	10.06	-107.68
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCCC(CCC(=O)[O-])C2)=N1	REAL300003800578	0	47	-2.0	-112.98	390.58	8.63	-104.35
O=C([O-])CCC1CCCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1	REAL300003800583	0	44	-2.0	-117.11	364.46	8.21	-108.90
O=C([O-])CCC1CCCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300003800614	1	42	-2.0	-118.25	340.29	8.77	-109.48
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCCC(CCC(=O)[O-])C3)=N2)=C1	REAL300003800769	0	47	-2.0	-122.79	382.67	8.80	-113.99
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCCC(CCC(=O)[O-])C2)=N1	REAL300003800770	0	50	-2.0	-116.69	404.60	9.31	-107.38
CC1=C(CC(=O)N2CCCC(CCC(=O)[O-])C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003800840	1	50	-2.0	-110.55	404.91	7.05	-103.50
O=C([O-])CCC1CCCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300003800891	0	37	-2.0	-91.63	322.95	6.94	-84.69
COC1=C(C(=O)N2CCCC(CCC(=O)[O-])C2)NC(=O)[N-]C1=O	REAL300003800903	1	40	-2.0	-92.39	334.59	0.87	-91.52
O=C([O-])CCC1CCCN(C(=O)C2=CC=C([O-])C(Cl)=C2)C1	REAL300003801031	0	37	-2.0	-99.88	314.60	6.79	-93.09
CCOC1=CC(C(=O)N2CCCC(CCC(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300003801034	1	44	-2.0	-95.06	367.80	7.92	-87.14
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCCC(CCC(=O)[O-])C3)=N2)C=C1	REAL300003801046	0	48	-2.0	-117.67	387.36	7.43	-110.24
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCCC(CCC(=O)[O-])C2)=CO1	REAL300003801069	1	41	-2.0	-90.71	349.08	2.16	-88.55
O=C([O-])CCC1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300003801225	0	40	-2.0	-85.39	333.06	5.80	-79.59
O=C([O-])CCC1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300003801225	1	40	-2.0	-85.42	333.13	5.81	-79.61
COCC1=NC=C(C(=O)N2CCCC(CCC(=O)[O-])C2)C(=O)[N-]1	REAL300003801546	1	42	-2.0	-96.37	342.43	3.33	-93.04
O=C([O-])CCC1CCCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300003801590	1	45	-2.0	-96.86	356.19	6.29	-90.57
O=C([O-])CCC1CCCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300003801889	0	37	-2.0	-98.60	332.73	7.75	-90.85
CC1=C(C(=O)N2CCCC(CCC(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300003802192	0	45	-2.0	-109.58	375.36	5.76	-103.82
CCOC1=CC=C(NC(=O)C2=CC=C(S(=O)(=O)[N-]C)O2)C(C(=O)[O-])=C1	REAL300003804556	1	39	-2.0	-103.94	356.22	1.40	-102.54
CCOC1=CC=C(NC(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)C(C(=O)[O-])=C1	REAL300003805001	1	46	-2.0	-97.22	396.75	5.79	-91.43
CCOC1=CC=C(NC(=O)C2=CC=C(OC)C=C2[O-])C(C(=O)[O-])=C1	REAL300003805632	1	39	-2.0	-112.47	330.81	6.44	-106.03
CCOC1=CC=C(NC(=O)C2=CC=C([O-])C(F)=C2)C(C(=O)[O-])=C1	REAL300003806084	1	35	-2.0	-97.32	309.78	5.70	-91.62
CCOC1=CC=C(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C(C(=O)[O-])=C1	REAL300003806095	1	38	-2.0	-103.67	340.10	8.13	-95.54
CCOC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C(C(=O)[O-])=C1	REAL300003806129	0	35	-2.0	-93.14	307.06	3.70	-89.44
CCOC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C(C(=O)[O-])=C1	REAL300003806129	1	35	-2.0	-93.10	307.11	3.71	-89.39
CCOC1=CC=C(NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C(C(=O)[O-])=C1	REAL300003806199	0	41	-2.0	-106.76	365.01	3.78	-102.98
CCOC1=CC=C(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)C(C(=O)[O-])=C1	REAL300003806224	1	40	-2.0	-116.53	343.04	5.19	-111.34
CCOC1=CC=C(NC(=O)C2=CN=CC([O-])=C2)C(C(=O)[O-])=C1	REAL300003806261	1	34	-2.0	-96.81	298.46	3.74	-93.07
CCOC1=CC=C(NC(=O)C2=NN(C3=CC=C(F)C=C3C)C=C2[O-])C(C(=O)[O-])=C1	REAL300003806342	0	45	-2.0	-117.04	386.51	7.87	-109.17
CCOC1=CC=C(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C(C(=O)[O-])=C1	REAL300003806347	0	42	-2.0	-118.21	370.58	6.90	-111.31
CCOC1=CC=C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C(C(=O)[O-])=C1	REAL300003806378	0	40	-2.0	-122.22	343.52	7.74	-114.48
CCOC1=CC=C(NC(=O)C2=NN(C3=CC(C)=CC=C3F)C=C2[O-])C(C(=O)[O-])=C1	REAL300003806517	0	45	-2.0	-126.25	388.92	7.49	-118.76
CCOC1=CC=C(NC(=O)C2=NN(C3=CC=CC=C3CC)C=C2[O-])C(C(=O)[O-])=C1	REAL300003806518	0	48	-2.0	-122.68	396.13	8.57	-114.11
CCOC1=CC=C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C(C(=O)[O-])=C1	REAL300003806629	0	35	-2.0	-95.71	325.78	6.24	-89.47
CCOC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C(C(=O)[O-])=C1	REAL300003806719	0	38	-2.0	-93.24	327.32	4.46	-88.78
CCOC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C(C(=O)[O-])=C1	REAL300003806719	1	38	-2.0	-93.29	327.38	4.47	-88.82
CCOC1=CC=C(NC(=O)C2=CC=C([O-])C(Cl)=C2)C(C(=O)[O-])=C1	REAL300003806751	0	35	-2.0	-95.19	319.58	6.17	-89.02
CCOC1=CC=C(NC(=O)C2=CC(Cl)=C([O-])C(OCC)=C2)C(C(=O)[O-])=C1	REAL300003806755	1	42	-2.0	-101.15	370.62	7.22	-93.93
CCOC1=CC=C(NC(=O)C2=NN(C3=CC=C(OC)C=C3)C=C2[O-])C(C(=O)[O-])=C1	REAL300003806761	0	46	-2.0	-122.33	393.65	6.14	-116.19
CCOC1=CC=C(NC(=O)C2=COC(S(=O)(=O)[N-]C)=C2)C(C(=O)[O-])=C1	REAL300003806777	1	39	-2.0	-93.72	355.39	1.37	-92.35
CCOC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C(=O)[O-])=C1	REAL300003806918	0	38	-2.0	-93.17	338.99	4.31	-88.86
CCOC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C(=O)[O-])=C1	REAL300003806918	1	38	-2.0	-93.18	338.92	4.31	-88.87
CCOC1=CC=C(NC(=O)C2=C[N-]N=CC2=O)C(C(=O)[O-])=C1	REAL300003807156	0	33	-2.0	-102.96	289.43	4.17	-98.79
CCOC1=CC=C(NC(=O)C2=CN=C(COC)[N-]C2=O)C(C(=O)[O-])=C1	REAL300003807180	1	40	-2.0	-114.77	344.92	2.85	-111.92
CCOC1=CC=C(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C(C(=O)[O-])=C1	REAL300003807223	1	43	-2.0	-116.74	358.80	5.73	-111.01
CCOC1=CC=C(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C(C(=O)[O-])=C1	REAL300003807470	0	35	-2.0	-101.29	333.77	8.15	-93.14
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)=C1	REAL300003809129	0	41	-2.0	-113.08	362.96	4.63	-108.45
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300003809384	0	41	-2.0	-114.06	363.94	4.91	-109.15
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)O1	REAL300003809780	1	35	-2.0	-102.03	332.62	1.25	-100.78
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300003810010	0	38	-2.0	-112.33	342.45	4.02	-108.31
CC(C)C(=O)[N-]C1=NC(CC(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)=CS1	REAL300003810329	1	42	-2.0	-97.07	377.60	5.64	-91.43
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300003810534	0	38	-2.0	-103.30	347.76	4.09	-99.21
O=C([O-])[C@@H]1CN(C(=O)C2=CC=C([O-])C(F)=C2)C[C@H]1C(F)(F)F	REAL300003811664	1	31	-2.0	-97.56	284.53	5.00	-92.56
O=C([O-])[C@@H]1CN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C[C@H]1C(F)(F)F	REAL300003811677	1	34	-2.0	-110.07	317.46	7.29	-102.78
O=C([O-])[C@@H]1CN(C(=O)CCC2=N[N-]N=N2)C[C@H]1C(F)(F)F	REAL300003811718	0	31	-2.0	-92.46	286.60	3.51	-88.95
O=C([O-])[C@@H]1CN(C(=O)CCC2=NN=N[N-]2)C[C@H]1C(F)(F)F	REAL300003811718	1	31	-2.0	-92.50	286.65	3.52	-88.98
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C=N1	REAL300003811805	0	37	-2.0	-97.49	340.34	3.02	-94.47
O=C([O-])[C@@H]1CN(C(=O)C2=CN=CC([O-])=C2)C[C@H]1C(F)(F)F	REAL300003811882	1	30	-2.0	-91.74	273.35	3.10	-88.64
O=C([O-])[C@@H]1CN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C[C@H]1C(F)(F)F	REAL300003811996	0	38	-2.0	-115.31	345.84	6.91	-108.40
O=C([O-])[C@@H]1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C[C@H]1C(F)(F)F	REAL300003812042	1	36	-2.0	-123.33	318.68	8.04	-115.29
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)=N1	REAL300003812209	0	44	-2.0	-123.42	382.19	8.59	-114.83
O=C([O-])[C@@H]1CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C[C@H]1C(F)(F)F	REAL300003812344	0	31	-2.0	-94.08	300.51	5.53	-88.55
COC1=C(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)NC(=O)[N-]C1=O	REAL300003812362	1	34	-2.0	-98.76	309.35	1.09	-97.67
O=C([O-])[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@H]1C(F)(F)F	REAL300003812462	0	34	-2.0	-93.44	308.09	4.29	-89.15
O=C([O-])[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@H]1C(F)(F)F	REAL300003812462	1	34	-2.0	-93.44	308.15	4.31	-89.13
O=C([O-])[C@@H]1CN(C(=O)C2=CC=C([O-])C(Cl)=C2)C[C@H]1C(F)(F)F	REAL300003812502	0	31	-2.0	-94.41	294.33	5.47	-88.94
CCOC1=CC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)=CC(Cl)=C1[O-]	REAL300003812505	1	38	-2.0	-96.86	346.75	6.52	-90.34
COC1=CC=C(N2C=C([O-])C(C(=O)N3C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C3)=N2)C=C1	REAL300003812514	0	42	-2.0	-119.91	370.04	6.20	-113.71
C[N-]S(=O)(=O)C1=CC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)=CO1	REAL300003812538	1	35	-2.0	-96.95	330.05	0.85	-96.10
O=C([O-])[C@@H]1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@H]1C(F)(F)F	REAL300003812706	0	34	-2.0	-86.77	315.21	4.53	-82.24
O=C([O-])[C@@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@H]1C(F)(F)F	REAL300003812706	1	34	-2.0	-89.69	315.22	4.56	-85.13
O=C([O-])[C@@H]1CN(C(=O)C2=C[N-]N=CC2=O)C[C@H]1C(F)(F)F	REAL300003812999	0	29	-2.0	-89.40	268.52	3.56	-85.84
COCC1=NC=C(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C(=O)[N-]1	REAL300003813034	1	36	-2.0	-114.66	329.55	2.16	-112.50
O=C([O-])[C@@H]1CN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C[C@H]1C(F)(F)F	REAL300003813404	0	31	-2.0	-110.58	311.73	7.20	-103.38
CC1=C(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C(=O)NC(C2=CC=CO2)=N1	REAL300003813706	0	39	-2.0	-125.90	356.61	4.72	-121.18
CC1=C(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300003813706	1	39	-2.0	-125.90	356.61	4.72	-121.18
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300003814953	1	43	-2.0	-130.96	383.62	10.43	-120.53
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=CC=C2)O1	REAL300003815316	1	44	-2.0	-102.56	387.42	3.76	-98.80
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=CC=C2)O1	REAL300003815317	1	35	-2.0	-101.05	332.66	1.32	-99.73
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(C(=O)[O-])C2=CC=CC=C2)=CS1	REAL300003815815	1	42	-2.0	-120.41	374.42	5.72	-114.69
CC1=C(CC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003816008	1	44	-2.0	-121.96	385.21	5.91	-116.05
O=C([O-])C(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1=CC=CC=C1	REAL300003816855	1	34	-2.0	-123.74	316.32	8.09	-115.65
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=CC=C2)C=N1	REAL300003816939	0	37	-2.0	-108.71	341.26	3.65	-105.06
O=C([O-])C(NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C1=CC=CC=C1	REAL300003816960	1	36	-2.0	-118.36	318.51	5.09	-113.27
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3=CC=CC=C3)=N2)=C1	REAL300003817009	0	47	-2.0	-139.65	400.62	8.77	-130.88
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3=CC=CC=C3)=N2)C=C1	REAL300003817010	0	47	-2.0	-138.01	400.55	8.77	-129.24
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300003817066	0	41	-2.0	-134.19	368.33	7.78	-126.41
O=C([O-])C(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1=CC=CC=C1	REAL300003817071	0	38	-2.0	-134.98	346.77	6.92	-128.06
O=C([O-])C(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=CC=CC=C1	REAL300003817093	1	36	-2.0	-141.10	319.92	7.78	-133.32
O=C([O-])C(NC(=O)C1=CN=C(I)C([O-])=C1)C1=CC=CC=C1	REAL300003817155	0	30	-2.0	-103.93	301.48	4.74	-99.19
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3=CC=CC=C3)=N2)=C1	REAL300003817208	0	41	-2.0	-142.36	365.35	7.41	-134.95
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300003817209	0	44	-2.0	-141.24	381.86	8.51	-132.73
CC1=C(CC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003817256	1	44	-2.0	-119.13	383.87	5.91	-113.22
O=C([O-])C(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=CC=CC=C1	REAL300003817298	0	31	-2.0	-101.04	301.76	6.19	-94.85
COC1=C(C(=O)NC(C(=O)[O-])C2=CC=CC=C2)NC(=O)[N-]C1=O	REAL300003817304	1	34	-2.0	-101.90	308.13	1.19	-100.71
O=C([O-])C(NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=CC=CC=C1	REAL300003817389	0	31	-2.0	-103.43	295.77	6.06	-97.37
CCOC1=CC(C(=O)NC(C(=O)[O-])C2=CC=CC=C2)=CC(Cl)=C1[O-]	REAL300003817393	1	38	-2.0	-106.74	346.87	7.10	-99.64
COC1=CC=C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3=CC=CC=C3)=N2)C=C1	REAL300003817401	0	42	-2.0	-137.55	369.84	6.15	-131.40
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C(=O)[O-])C2=CC=CC=C2)=CO1	REAL300003817413	1	35	-2.0	-106.18	331.16	1.34	-104.84
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=C1	REAL300003817529	0	34	-2.0	-95.17	315.56	4.17	-91.00
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=C1	REAL300003817529	1	34	-2.0	-95.16	315.63	4.20	-90.96
COCC1=NC=C(C(=O)NC(C(=O)[O-])C2=CC=CC=C2)C(=O)[N-]1	REAL300003817761	1	36	-2.0	-116.96	320.57	2.79	-114.17
O=C([O-])C(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1=CC=CC=C1	REAL300003817798	1	39	-2.0	-119.01	334.86	5.60	-113.41
O=C([O-])C(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=CC=CC=C1	REAL300003818015	0	31	-2.0	-119.71	310.14	8.20	-111.51
O=C([O-])C([N-]C(=O)C(F)(F)C1=CC=CC=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300003819027	1	36	-2.0	-134.54	343.14	7.90	-126.64
O=C([O-])C(NC(=O)C1=CC=C([O-])C(F)=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300003820058	1	34	-2.0	-100.70	324.73	6.57	-94.13
O=C([O-])C(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC(C(F)(F)F)=C1	REAL300003820111	0	34	-2.0	-97.45	322.17	4.60	-92.85
O=C([O-])C(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300003820111	1	34	-2.0	-97.43	322.23	4.62	-92.81
O=C([O-])C(NC(=O)C1=CN=CC([O-])=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300003820189	1	33	-2.0	-105.17	313.68	4.76	-100.41
O=C([O-])C(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=CC=CC(C(F)(F)F)=C1	REAL300003820269	1	39	-2.0	-135.97	358.99	8.80	-127.17
O=C([O-])C(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300003820472	0	34	-2.0	-98.12	340.11	7.17	-90.95
COC1=C(C(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)NC(=O)[N-]C1=O	REAL300003820485	1	37	-2.0	-99.30	346.91	2.16	-97.14
O=C([O-])C(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC(C(F)(F)F)=C1	REAL300003820547	0	37	-2.0	-106.45	343.68	5.39	-101.06
O=C([O-])C(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300003820547	1	37	-2.0	-106.49	343.73	5.41	-101.08
O=C([O-])C(NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300003820572	0	34	-2.0	-98.65	334.53	7.06	-91.59
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC(C(F)(F)F)=C1	REAL300003820684	0	37	-2.0	-91.35	354.30	5.18	-86.17
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC(C(F)(F)F)=C1	REAL300003820684	1	37	-2.0	-91.34	354.37	5.18	-86.16
O=C([O-])C(NC(=O)C1=C[N-]N=CC1=O)C1=CC=CC(C(F)(F)F)=C1	REAL300003820838	0	32	-2.0	-101.63	306.09	5.12	-96.51
COCC1=NC=C(C(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C(=O)[N-]1	REAL300003820855	1	39	-2.0	-110.41	359.33	3.78	-106.63
O=C([O-])C([N-]C(=O)C(F)(F)C1=CC=CN=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300003820924	1	35	-2.0	-128.66	335.88	6.78	-121.88
O=C([O-])C([N-]C(=O)C(F)(F)CCN1C=CN=N1)C1=CC=CC(C(F)(F)F)=C1	REAL300003821116	1	38	-2.0	-133.18	360.08	6.01	-127.17
O=C([O-])C([N-]C(=O)C(F)(F)CCN1C=CC=N1)C1=CC=CC(C(F)(F)F)=C1	REAL300003821117	1	39	-2.0	-132.71	366.28	7.24	-125.47
CC1=CC(C(F)(F)C(=O)[N-]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=CS1	REAL300003821343	1	36	-2.0	-131.99	355.99	7.66	-124.33
CN1C=C(C(F)(F)C(=O)[N-]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C=N1	REAL300003821344	1	36	-2.0	-128.96	347.60	5.69	-123.27
CC1=C(CCC(=O)NC(CC2CC2)C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300003821933	1	51	-2.0	-105.83	415.15	6.90	-98.93
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300003822281	0	41	-2.0	-116.44	357.31	4.72	-111.72
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CC1CC1)C(=O)[O-]	REAL300003822591	0	41	-2.0	-117.37	357.38	4.94	-112.43
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300003822637	1	43	-2.0	-114.12	379.98	9.79	-104.33
O=C([O-])C(CC1CC1)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300003822819	1	45	-2.0	-106.75	395.35	7.04	-99.71
O=C([O-])C(CC1CC1)NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300003822820	1	45	-2.0	-112.03	395.54	7.03	-105.00
CC1=CC(C(=O)NC(CC2CC2)C(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300003822833	0	41	-2.0	-91.24	376.79	5.22	-86.02
O=C([O-])C(CC1CC1)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300003823065	0	42	-2.0	-105.25	388.12	6.01	-99.24
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC2CC2)C(=O)[O-])O1	REAL300003823083	1	44	-2.0	-97.48	383.55	3.20	-94.28
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC2CC2)C(=O)[O-])O1	REAL300003823084	1	35	-2.0	-96.36	328.09	0.80	-95.56
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300003823324	0	45	-2.0	-121.29	392.23	2.87	-118.42
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CC1CC1)C(=O)[O-]	REAL300003823370	0	38	-2.0	-115.64	336.16	3.98	-111.66
O=C([O-])C(CC1CC1)NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300003823378	0	42	-2.0	-110.23	388.31	5.99	-104.24
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(CC2CC2)C(=O)[O-])=CS1	REAL300003823730	1	42	-2.0	-111.09	369.82	5.20	-105.89
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC(CC1CC1)C(=O)[O-]	REAL300003823938	0	38	-2.0	-107.99	342.33	4.11	-103.88
CC1=C(CC(=O)NC(CC2CC2)C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003823945	1	44	-2.0	-116.14	380.69	5.39	-110.75
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CC1CC1)C(=O)[O-]	REAL300003823950	0	44	-2.0	-118.04	378.88	5.72	-112.32
CC1=C(C(=O)NC(CC2CC2)C(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300003824012	1	44	-2.0	-111.74	358.84	5.63	-106.11
O=C([O-])C(CC1CC1)NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300003824111	1	45	-2.0	-99.83	395.53	7.02	-92.81
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NC(CC1CC1)C(=O)[O-]	REAL300003824660	0	44	-2.0	-120.59	382.04	6.24	-114.35
O=C([O-])C(CC1CC1)NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300003824829	1	34	-2.0	-117.93	311.78	7.55	-110.38
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(CC2CC2)C(=O)[O-])C=N1	REAL300003824916	0	37	-2.0	-103.29	336.96	3.07	-100.22
O=C([O-])C(CC1CC1)NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300003824977	1	44	-2.0	-96.21	391.41	5.21	-91.00
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC(CC3CC3)C(=O)[O-])=N2)=C1	REAL300003824992	0	47	-2.0	-132.96	395.47	8.21	-124.75
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(CC3CC3)C(=O)[O-])=N2)C=C1	REAL300003824993	0	47	-2.0	-131.27	396.49	8.11	-123.16
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(CC2CC2)C(=O)[O-])=N1	REAL300003825062	0	41	-2.0	-127.83	364.29	7.16	-120.67
O=C([O-])C(CC1CC1)NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300003825066	0	38	-2.0	-128.55	342.44	6.30	-122.25
O=C([O-])C(CC1CC1)NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300003825087	1	36	-2.0	-133.74	316.11	7.06	-126.68
O=C([O-])C(CC1CC1)NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300003825105	0	38	-2.0	-96.11	357.91	4.43	-91.68
O=C([O-])C(CC1CC1)NC(=O)C1=CN=C(I)C([O-])=C1	REAL300003825143	0	30	-2.0	-99.34	297.67	4.02	-95.32
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(CC3CC3)C(=O)[O-])=N2)=C1	REAL300003825192	0	41	-2.0	-135.78	361.29	6.78	-129.00
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CC2CC2)C(=O)[O-])=N1	REAL300003825193	0	44	-2.0	-133.85	370.59	7.98	-125.87
CC1=C(CC(=O)NC(CC2CC2)C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003825234	1	44	-2.0	-113.32	379.13	5.38	-107.94
O=C([O-])C(CC1CC1)NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300003825266	0	31	-2.0	-97.01	297.46	5.59	-91.42
CCOC1=CC(C(=O)NC(CC2CC2)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300003825350	1	38	-2.0	-101.72	342.57	6.52	-95.20
O=C([O-])C(CC1CC1)NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300003825354	0	41	-2.0	-136.56	366.44	7.56	-129.00
COC1=CC=C(N2C=C([O-])C(C(=O)NC(CC3CC3)C(=O)[O-])=N2)C=C1	REAL300003825361	0	42	-2.0	-130.95	365.78	5.49	-125.46
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CC2CC2)C(=O)[O-])=CO1	REAL300003825378	1	35	-2.0	-102.43	326.39	0.81	-101.62
O=C([O-])C(CC1CC1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300003825498	0	34	-2.0	-90.22	311.27	3.62	-86.60
O=C([O-])C(CC1CC1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300003825498	1	34	-2.0	-90.22	311.33	3.62	-86.60
O=C([O-])C(CC1CC1)NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300003825758	1	39	-2.0	-110.06	330.70	4.97	-105.09
O=C([O-])C(CC1CC1)NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300003825961	0	31	-2.0	-114.05	306.13	7.54	-106.51
CC1=C(C(=O)NC(CC2CC2)C(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300003826184	0	39	-2.0	-114.34	339.08	4.71	-109.63
O=C([O-])C(CC1=CC=C(OC(F)(F)F)C=C1)NC(=O)C1=CC=C([O-])C(F)=C1	REAL300003827186	1	38	-2.0	-97.65	353.97	6.36	-91.29
O=C([O-])C(CC1=CC=C(OC(F)(F)F)C=C1)NC(=O)CCC1=N[N-]N=N1	REAL300003827241	0	38	-2.0	-94.51	351.48	4.41	-90.10
O=C([O-])C(CC1=CC=C(OC(F)(F)F)C=C1)NC(=O)CCC1=NN=N[N-]1	REAL300003827241	1	38	-2.0	-94.55	351.53	4.42	-90.13
O=C([O-])C(CC1=CC=C(OC(F)(F)F)C=C1)NC(=O)C1=CN=CC([O-])=C1	REAL300003827296	1	37	-2.0	-101.92	343.11	4.41	-97.51
O=C([O-])C(CC1=CC=C(OC(F)(F)F)C=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300003827517	0	41	-2.0	-104.25	373.16	5.13	-99.12
O=C([O-])C(CC1=CC=C(OC(F)(F)F)C=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300003827517	1	41	-2.0	-104.24	373.22	5.14	-99.10
O=C([O-])C(CC1=CC=C(OC(F)(F)F)C=C1)NC(=O)C1=C[N-]N=CC1=O	REAL300003827686	0	36	-2.0	-96.76	335.26	4.83	-91.93
CC1=C(CCC(=O)NC(CO)C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300003828829	1	45	-2.0	-108.83	372.88	1.24	-107.59
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)NC(CO)C(=O)[O-])=C1	REAL300003828874	1	45	-2.0	-109.08	390.22	2.74	-106.34
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC(CO)C(=O)[O-])C=C2)C=C1C	REAL300003828908	1	45	-2.0	-111.59	392.62	2.49	-109.10
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC(CO)C(=O)[O-])=C1	REAL300003829107	0	35	-2.0	-118.70	314.55	-0.92	-119.62
O=C([O-])C(CO)NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1	REAL300003829327	1	39	-2.0	-110.42	360.32	1.33	-109.09
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NC(CO)C(=O)[O-])=C2)C=C1F	REAL300003829354	1	42	-2.0	-111.83	381.11	1.97	-109.86
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CO)C(=O)[O-]	REAL300003829373	0	35	-2.0	-119.65	314.62	-0.70	-120.35
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC(CO)C(=O)[O-])C=C1	REAL300003829409	1	37	-2.0	-130.54	336.61	4.20	-126.34
O=C([O-])C(CO)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300003829456	1	39	-2.0	-103.79	360.59	1.35	-102.44
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CO)C(=O)[O-])C=C1	REAL300003829458	1	42	-2.0	-103.17	374.26	2.04	-101.13
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NC(CO)C(=O)[O-])C=C2)=C1C	REAL300003829462	1	45	-2.0	-104.39	390.78	2.59	-101.80
O=C([O-])C(CO)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300003829568	1	39	-2.0	-110.32	353.71	1.30	-109.02
O=C([O-])C(CO)NC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300003829569	1	42	-2.0	-115.81	385.43	2.00	-113.81
O=C([O-])C(CO)NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300003829570	1	39	-2.0	-115.07	353.89	1.29	-113.78
CC1=CC(C(=O)NC(CO)C(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300003829584	0	35	-2.0	-94.77	335.48	-0.49	-95.26
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NC(CO)C(=O)[O-])C=C2)C=C1	REAL300003829695	1	42	-2.0	-104.13	375.76	1.95	-102.18
O=C([O-])C(CO)NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2)=C1	REAL300003829771	1	39	-2.0	-111.61	371.11	1.77	-109.84
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)NC(CO)C(=O)[O-])=C1	REAL300003829772	0	43	-2.0	-120.60	383.62	0.59	-120.01
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NC(CO)C(=O)[O-])=C2)C=C1	REAL300003829773	1	43	-2.0	-115.54	383.90	0.56	-114.98
O=C([O-])C(CO)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300003829778	0	36	-2.0	-111.19	346.12	0.29	-110.90
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CO)C(=O)[O-])O1	REAL300003829792	1	38	-2.0	-101.31	340.35	-2.46	-103.77
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NC(CO)C(=O)[O-])=C2)C=C1	REAL300003829876	1	42	-2.0	-117.61	375.78	1.93	-115.68
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)NC(CO)C(=O)[O-])=CC=C2C)C=C1	REAL300003829883	1	45	-2.0	-117.75	391.08	2.75	-115.00
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NC(CO)C(=O)[O-])C=C2)=CC=C1F	REAL300003829889	1	42	-2.0	-104.22	380.43	2.00	-102.22
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NC(CO)C(=O)[O-])C=C1	REAL300003829890	1	42	-2.0	-106.07	376.07	2.13	-103.94
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)NC(CO)C(=O)[O-])=CC=C1F	REAL300003829893	0	42	-2.0	-120.59	378.62	2.25	-118.34
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CO)C(=O)[O-])C=C1	REAL300003829919	0	43	-2.0	-107.29	383.11	0.63	-106.66
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2)C=C1C(=O)NC(CO)C(=O)[O-]	REAL300003829921	1	42	-2.0	-103.05	376.75	2.04	-101.01
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)NC(CO)C(=O)[O-])=CC=C2C)=C1	REAL300003829922	1	45	-2.0	-118.13	391.09	2.75	-115.38
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)NC(CO)C(=O)[O-])=C2)=C1	REAL300003829923	1	42	-2.0	-117.84	375.65	1.98	-115.86
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)NC(CO)C(=O)[O-])=C2)=C1	REAL300003829924	1	45	-2.0	-111.78	391.84	2.62	-109.16
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NC(CO)C(=O)[O-])=C2)=C1	REAL300003829929	1	45	-2.0	-115.06	391.13	2.75	-112.31
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC(CO)C(=O)[O-])=C1	REAL300003829994	0	39	-2.0	-123.52	349.43	-2.71	-126.23
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CO)C(=O)[O-]	REAL300003830037	0	32	-2.0	-117.89	293.64	-1.61	-119.50
O=C([O-])C(CO)NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300003830047	0	36	-2.0	-113.39	346.17	0.33	-113.06
O=C([O-])C(CO)NC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300003830048	0	39	-2.0	-121.45	370.82	0.99	-120.46
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(CO)C(=O)[O-])=CS1	REAL300003830324	1	36	-2.0	-113.16	327.83	-0.51	-113.67
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NC(CO)C(=O)[O-])C=C2)C=C1	REAL300003830390	1	43	-2.0	-102.29	383.40	0.57	-101.72
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC(CO)C(=O)[O-]	REAL300003830471	0	32	-2.0	-110.66	299.56	-1.54	-112.20
CC1=C(CC(=O)NC(CO)C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003830481	1	38	-2.0	-117.29	338.20	-0.31	-117.60
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CO)C(=O)[O-]	REAL300003830484	0	38	-2.0	-120.17	336.61	0.08	-120.09
O=C([O-])C(CO)NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300003830623	1	39	-2.0	-103.29	354.35	1.27	-102.02
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)NC(CO)C(=O)[O-])=C1	REAL300003830625	0	45	-2.0	-126.86	388.79	2.99	-123.87
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NC(CO)C(=O)[O-]	REAL300003830948	0	38	-2.0	-123.11	339.04	0.65	-122.46
O=C([O-])C(CO)NC(=O)C1=CC(Br)=C([O-])C(Br)=C1	REAL300003831017	0	25	-2.0	-97.34	274.03	0.60	-96.74
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(CO)C(=O)[O-])C=N1	REAL300003831119	0	31	-2.0	-107.13	294.69	-2.58	-109.71
O=C([O-])C(CO)NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300003831162	1	38	-2.0	-99.31	348.91	-0.50	-99.81
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC(CO)C(=O)[O-])=N2)=C1	REAL300003831175	0	41	-2.0	-135.53	354.15	2.50	-133.03
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(CO)C(=O)[O-])=N2)C=C1	REAL300003831176	0	41	-2.0	-133.57	354.22	2.45	-131.12
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(CO)C(=O)[O-])=N1	REAL300003831211	0	35	-2.0	-130.18	321.76	1.55	-128.63
O=C([O-])C(CO)NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300003831214	0	32	-2.0	-131.10	300.30	0.65	-130.45
O=C([O-])C(CO)NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300003831235	0	32	-2.0	-98.90	315.91	-1.30	-100.20
O=C([O-])C(CO)NC(=O)C1=CN=C(I)C([O-])=C1	REAL300003831257	0	24	-2.0	-102.22	255.15	-1.57	-103.79
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(CO)C(=O)[O-])=N2)=C1	REAL300003831290	0	35	-2.0	-138.16	318.78	1.19	-136.97
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CO)C(=O)[O-])=N1	REAL300003831291	0	38	-2.0	-137.08	335.15	2.31	-134.77
CC1=C(CC(=O)NC(CO)C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003831307	1	38	-2.0	-115.17	337.47	-0.36	-115.53
CCOC1=CC(C(=O)NC(CO)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300003831364	1	32	-2.0	-104.98	300.30	0.86	-104.12
O=C([O-])C(CO)NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300003831368	0	35	-2.0	-139.34	323.92	1.97	-137.37
COC1=CC=C(N2C=C([O-])C(C(=O)NC(CO)C(=O)[O-])=N2)C=C1	REAL300003831376	0	36	-2.0	-133.50	323.37	-0.12	-133.62
CC1=C(C(=O)NC(CO)C(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300003831852	0	33	-2.0	-117.56	298.03	-1.06	-118.62
CC1=C(CCC(=O)N2CCC(C(=O)[O-])CC2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300003832958	1	51	-2.0	-97.44	398.71	7.20	-90.24
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300003833306	0	41	-2.0	-106.73	344.58	4.56	-102.17
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])CC1	REAL300003833616	0	41	-2.0	-107.32	345.67	4.84	-102.48
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300003833662	1	43	-2.0	-101.91	364.45	10.18	-91.73
O=C([O-])C1CCN(C(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3)C=C2)CC1	REAL300003833844	1	45	-2.0	-102.77	381.45	6.94	-95.83
O=C([O-])C1CCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)CC1	REAL300003833845	1	45	-2.0	-103.74	378.84	6.83	-96.91
CC1=CC(C(=O)N2CCC(C(=O)[O-])CC2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300003833858	0	41	-2.0	-86.59	361.30	5.04	-81.55
O=C([O-])C1CCN(C(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CS3)C=C2)CC1	REAL300003834090	0	42	-2.0	-97.60	373.38	5.95	-91.65
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(C(=O)[O-])CC2)O1	REAL300003834108	1	44	-2.0	-96.04	363.93	3.54	-92.50
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(C(=O)[O-])CC2)O1	REAL300003834109	1	35	-2.0	-95.03	310.35	0.98	-94.05
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300003834349	0	45	-2.0	-114.49	379.26	2.80	-111.69
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])CC1	REAL300003834395	0	38	-2.0	-105.12	320.47	3.91	-101.21
O=C([O-])C1CCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CS3)=C2)CC1	REAL300003834403	0	42	-2.0	-102.85	372.55	5.90	-96.95
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC(C(=O)[O-])CC2)=CS1	REAL300003834755	1	42	-2.0	-100.05	355.15	5.50	-94.55
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCC(C(=O)[O-])CC1	REAL300003834963	0	38	-2.0	-99.46	329.60	3.96	-95.50
CC1=C(CC(=O)N2CCC(C(=O)[O-])CC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003834970	1	44	-2.0	-103.87	366.01	5.73	-98.14
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])CC1	REAL300003834975	0	44	-2.0	-107.93	367.17	5.62	-102.31
CC1=C(C(=O)N2CCC(C(=O)[O-])CC2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300003835037	1	44	-2.0	-110.38	353.72	5.24	-105.14
O=C([O-])C1CCN(C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3)C=C2)CC1	REAL300003835136	1	45	-2.0	-96.45	381.55	6.94	-89.51
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)N1CCC(C(=O)[O-])CC1	REAL300003835685	0	44	-2.0	-110.98	366.95	6.18	-104.80
O=C([O-])C1CCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CC1	REAL300003835854	1	34	-2.0	-106.26	298.71	6.75	-99.51
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC(C(=O)[O-])CC2)C=N1	REAL300003835941	0	37	-2.0	-95.66	319.13	2.89	-92.77
O=C([O-])C1CCN(C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=NC=C3)C=C2)CC1	REAL300003836002	1	44	-2.0	-92.76	376.61	5.16	-87.60
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC(C(=O)[O-])CC3)=N2)=C1	REAL300003836017	0	47	-2.0	-114.15	376.81	8.58	-105.57
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC(C(=O)[O-])CC3)=N2)C=C1	REAL300003836018	0	47	-2.0	-113.58	378.34	8.67	-104.91
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC(C(=O)[O-])CC2)=N1	REAL300003836087	0	41	-2.0	-113.59	349.05	7.14	-106.45
O=C([O-])C1CCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CC1	REAL300003836091	0	38	-2.0	-110.20	323.02	6.74	-103.46
O=C([O-])C1CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)CC1	REAL300003836112	1	36	-2.0	-114.07	297.92	7.91	-106.16
O=C([O-])C1CCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)CC1	REAL300003836130	0	38	-2.0	-88.40	340.38	4.26	-84.14
O=C([O-])C1CCN(C(=O)C2=CN=C(I)C([O-])=C2)CC1	REAL300003836168	0	30	-2.0	-91.40	279.75	3.90	-87.50
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC(C(=O)[O-])CC3)=N2)=C1	REAL300003836217	0	41	-2.0	-116.63	341.36	7.32	-109.31
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC(C(=O)[O-])CC2)=N1	REAL300003836218	0	44	-2.0	-111.62	363.05	7.86	-103.76
CC1=C(CC(=O)N2CCC(C(=O)[O-])CC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003836259	1	44	-2.0	-102.15	366.19	5.72	-96.43
O=C([O-])C1CCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)CC1	REAL300003836291	0	31	-2.0	-90.57	279.98	5.43	-85.14
CCOC1=CC(C(=O)N2CCC(C(=O)[O-])CC2)=CC(Cl)=C1[O-]	REAL300003836375	1	38	-2.0	-94.45	324.82	6.40	-88.05
O=C([O-])C1CCN(C(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])CC1	REAL300003836379	0	41	-2.0	-120.75	351.62	7.57	-113.18
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC(C(=O)[O-])CC3)=N2)C=C1	REAL300003836386	0	42	-2.0	-113.44	347.92	6.08	-107.36
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(C(=O)[O-])CC2)=CO1	REAL300003836403	1	35	-2.0	-91.45	309.07	0.75	-90.70
O=C([O-])C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300003836523	0	34	-2.0	-86.59	293.40	4.44	-82.15
O=C([O-])C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300003836523	1	34	-2.0	-86.59	293.47	4.44	-82.15
O=C([O-])C1CCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)CC1	REAL300003836783	1	39	-2.0	-107.95	321.85	5.01	-102.94
O=C([O-])C1CCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300003836986	0	31	-2.0	-102.40	294.34	6.36	-96.04
CC1=C(C(=O)N2CCC(C(=O)[O-])CC2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300003837209	0	39	-2.0	-113.11	333.42	4.68	-108.43
CC1=C(CCC(=O)N(C)C(CC(C)C)C(=O)[O-])C(=O)NC(N2CCOCC2)=N1	REAL300003837639	0	56	-2.0	-102.02	434.47	8.67	-93.35
CC1=C(CCC(=O)N(C)C(CC(C)C)C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300003837639	1	56	-2.0	-102.02	434.47	8.67	-93.35
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N(C)C(CC(C)C)C(=O)[O-])C=C1	REAL300003838190	1	48	-2.0	-119.60	395.61	11.36	-108.24
CC(C)CC(C(=O)[O-])N(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300003838552	1	49	-2.0	-95.05	398.62	4.93	-90.12
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)C(CC(C)C)C(=O)[O-])O1	REAL300003838553	1	40	-2.0	-93.11	344.79	2.47	-90.64
CC(C)CC(C(=O)[O-])N(C)C(=O)CC1=CSC([N-]C(=O)C(C)C)=N1	REAL300003839051	1	47	-2.0	-103.98	386.99	6.73	-97.25
CC1=C(CC(=O)N(C)C(CC(C)C)C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003839243	1	49	-2.0	-110.42	398.75	7.15	-103.27
CC(C)CC(C(=O)[O-])N(C)C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300003840032	1	39	-2.0	-108.79	327.06	8.70	-100.09
CC(C)CC(C(=O)[O-])N(C)C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300003840109	0	42	-2.0	-99.73	352.36	4.40	-95.33
CC(C)CC(C(=O)[O-])N(C)C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300003840127	1	41	-2.0	-105.37	339.28	5.61	-99.76
CC(C)CC(C(=O)[O-])N(C)C(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-]	REAL300003840175	0	52	-2.0	-125.10	411.76	10.11	-114.99
CC(C)CC(C(=O)[O-])N(C)C(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-]	REAL300003840176	0	52	-2.0	-125.29	412.93	10.09	-115.20
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(C)C(CC(C)C)C(=O)[O-])=N1	REAL300003840229	0	46	-2.0	-120.70	380.06	9.17	-111.53
CC(C)CC(C(=O)[O-])N(C)C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300003840234	0	43	-2.0	-122.76	358.61	8.13	-114.63
CC(C)CC(C(=O)[O-])N(C)C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300003840254	1	41	-2.0	-125.36	330.38	9.27	-116.09
CC(C)CC(C(=O)[O-])N(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300003840272	0	43	-2.0	-89.47	373.78	5.69	-83.78
CC(C)CC(C(=O)[O-])N(C)C(=O)C1=CN=C(I)C([O-])=C1	REAL300003840312	0	35	-2.0	-91.05	314.98	5.46	-85.59
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N(C)C(CC(C)C)C(=O)[O-])=N2)=C1	REAL300003840362	0	46	-2.0	-127.83	376.24	8.85	-118.98
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(C)C(CC(C)C)C(=O)[O-])=N1	REAL300003840363	0	49	-2.0	-128.75	391.62	9.67	-119.08
CC1=C(CC(=O)N(C)C(CC(C)C)C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003840405	1	49	-2.0	-108.98	398.05	6.95	-102.03
CC(C)CC(C(=O)[O-])N(C)C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300003840442	0	36	-2.0	-92.73	312.13	6.88	-85.85
COC1=C(C(=O)N(C)C(CC(C)C)C(=O)[O-])NC(=O)[N-]C1=O	REAL300003840448	1	39	-2.0	-94.99	326.20	0.83	-94.16
CCOC1=CC(C(=O)N(C)C(CC(C)C)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300003840525	1	43	-2.0	-97.22	358.24	7.71	-89.51
CC(C)CC(C(=O)[O-])N(C)C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300003840528	0	46	-2.0	-133.33	388.00	9.08	-124.25
COC1=CC=C(N2C=C([O-])C(C(=O)N(C)C(CC(C)C)C(=O)[O-])=N2)C=C1	REAL300003840533	0	47	-2.0	-125.11	381.94	7.41	-117.70
C[N-]S(=O)(=O)C1=CC(C(=O)N(C)C(CC(C)C)C(=O)[O-])=CO1	REAL300003840544	1	40	-2.0	-94.60	340.95	2.16	-92.44
CC(C)CC(C(=O)[O-])N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300003840649	0	39	-2.0	-87.81	325.80	5.95	-81.86
CC(C)CC(C(=O)[O-])N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300003840649	1	39	-2.0	-87.78	325.87	5.97	-81.81
COCC1=NC=C(C(=O)N(C)C(CC(C)C)C(=O)[O-])C(=O)[N-]1	REAL300003840865	1	41	-2.0	-104.23	341.08	3.40	-100.83
CC(C)CC(C(=O)[O-])N(C)C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300003840901	1	44	-2.0	-117.65	354.32	6.21	-111.44
CC(C)CC(C(=O)[O-])N(C)C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300003841096	0	36	-2.0	-105.65	321.05	8.64	-97.01
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)=C1	REAL300003842331	0	45	-2.0	-103.97	365.49	5.50	-98.47
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12	REAL300003842646	0	45	-2.0	-104.42	365.39	5.73	-98.69
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)C=C1	REAL300003842696	1	47	-2.0	-133.35	388.33	11.06	-122.29
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)O1	REAL300003843139	1	48	-2.0	-96.98	390.20	4.50	-92.48
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)O1	REAL300003843140	1	39	-2.0	-95.69	335.43	2.05	-93.64
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12	REAL300003843413	0	42	-2.0	-103.13	343.92	4.83	-98.30
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)=CS1	REAL300003843782	1	46	-2.0	-117.47	377.15	6.37	-111.10
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12	REAL300003844018	0	42	-2.0	-98.10	350.32	4.89	-93.21
CC1=C(CC(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003844021	1	48	-2.0	-131.25	389.89	6.59	-124.66
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12	REAL300003844024	0	48	-2.0	-105.00	386.88	6.52	-98.48
CC1=C(C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)C(=O)[N-]C(C(C)(C)C)=N1	REAL300003844104	1	48	-2.0	-107.43	373.09	6.17	-101.26
O=C([O-])[C@]12CCC[C@H]1N(C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])CC2	REAL300003845135	1	38	-2.0	-104.72	320.97	7.97	-96.75
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)C=N1	REAL300003845243	0	41	-2.0	-99.30	342.24	3.94	-95.36
O=C([O-])[C@]12CCC[C@H]1N(C(=O)C1=CN=C(C3CC3)[N-]C1=O)CC2	REAL300003845276	1	40	-2.0	-103.42	330.71	5.39	-98.03
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CC[C@@]4(C(=O)[O-])CCC[C@@H]34)=N2)=C1	REAL300003845334	0	51	-2.0	-123.91	403.56	9.60	-114.31
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CC[C@@]4(C(=O)[O-])CCC[C@@H]34)=N2)C=C1	REAL300003845335	0	51	-2.0	-122.34	403.55	9.59	-112.75
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)=N1	REAL300003845425	0	45	-2.0	-119.27	369.50	8.64	-110.63
O=C([O-])[C@]12CCC[C@H]1N(C(=O)C1=NN(C3=CC=CC(F)=C3)C=C1[O-])CC2	REAL300003845430	0	42	-2.0	-121.62	349.77	7.75	-113.87
O=C([O-])[C@]12CCC[C@H]1N(C(=O)C1=C([O-])C3=CC=CC=C3C=N1)CC2	REAL300003845461	1	40	-2.0	-122.70	321.83	8.90	-113.80
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CC[C@@]4(C(=O)[O-])CCC[C@@H]34)=N2)=C1	REAL300003845614	0	45	-2.0	-136.97	366.98	8.31	-128.66
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)=N1	REAL300003845615	0	48	-2.0	-124.65	384.80	9.40	-115.25
CC1=C(CC(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003845686	1	48	-2.0	-130.01	389.17	6.53	-123.48
O=C([O-])[C@]12CCC[C@H]1N(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)CC2	REAL300003845736	0	35	-2.0	-101.31	303.34	6.35	-94.96
COC1=C(C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)NC(=O)[N-]C1=O	REAL300003845747	1	38	-2.0	-101.42	309.10	1.95	-99.47
O=C([O-])[C@]12CCC[C@H]1N(C(=O)C1=CC=C([O-])C(Cl)=C1)CC2	REAL300003845872	0	35	-2.0	-101.10	296.50	6.29	-94.81
CCOC1=CC(C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)=CC(Cl)=C1[O-]	REAL300003845875	1	42	-2.0	-107.27	348.18	7.33	-99.94
COC1=CC=C(N2C=C([O-])C(C(=O)N3CC[C@@]4(C(=O)[O-])CCC[C@@H]34)=N2)C=C1	REAL300003845887	0	46	-2.0	-122.26	372.84	6.97	-115.29
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)=CO1	REAL300003845910	1	39	-2.0	-97.79	327.77	1.61	-96.18
O=C([O-])[C@]12CCC[C@H]1N(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)CC2	REAL300003846067	0	38	-2.0	-94.12	316.86	5.34	-88.78
O=C([O-])[C@]12CCC[C@H]1N(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)CC2	REAL300003846067	1	38	-2.0	-94.06	316.93	5.35	-88.71
COCC1=NC=C(C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)C(=O)[N-]1	REAL300003846386	1	40	-2.0	-102.76	332.55	3.04	-99.72
O=C([O-])[C@]12CCC[C@H]1N(C(=O)C1=CN=C(C3CCC3)[N-]C1=O)CC2	REAL300003846430	1	43	-2.0	-103.52	346.46	5.94	-97.58
O=C([O-])[C@]12CCC[C@H]1N(C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])CC2	REAL300003846728	0	35	-2.0	-100.72	314.13	8.07	-92.65
CC1=C(C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300003847028	0	43	-2.0	-107.69	357.47	5.65	-102.04
CC1=C(CCC(=O)NC2=CC=C(C(=O)[O-])C=C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300003849100	1	48	-2.0	-101.14	396.03	6.98	-94.16
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300003849439	1	38	-2.0	-103.48	338.19	4.79	-98.69
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300003849737	1	38	-2.0	-104.74	338.27	5.02	-99.72
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300003849784	1	40	-2.0	-111.83	360.06	9.94	-101.89
O=C([O-])C1=CC=C(NC(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3)C=C2)C=C1	REAL300003849962	1	42	-2.0	-97.82	377.07	7.02	-90.80
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CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2)O1	REAL300003850222	1	41	-2.0	-88.81	362.85	3.36	-85.45
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2)O1	REAL300003850223	1	32	-2.0	-88.77	309.23	0.83	-87.94
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300003850453	0	42	-2.0	-107.17	372.95	3.04	-104.13
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300003850498	0	35	-2.0	-103.28	316.80	4.12	-99.16
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=CC=C(C(=O)[O-])C=C2)=CS1	REAL300003850857	1	39	-2.0	-106.77	351.00	5.23	-101.54
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300003851074	0	35	-2.0	-96.75	323.21	4.19	-92.56
CC1=C(CC(=O)NC2=CC=C(C(=O)[O-])C=C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003851081	1	41	-2.0	-111.17	360.92	5.37	-105.80
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300003851086	1	41	-2.0	-105.14	359.77	5.80	-99.34
CC1=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300003851146	1	41	-2.0	-91.59	340.43	5.71	-85.88
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3)C=C2)C=C1	REAL300003851240	1	42	-2.0	-97.33	377.26	7.01	-90.32
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300003851811	0	41	-2.0	-109.01	362.68	6.38	-102.63
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CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300003852081	0	34	-2.0	-95.31	317.85	3.15	-92.16
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CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(C(=O)[O-])C=C3)=N2)C=C1	REAL300003852161	0	44	-2.0	-112.96	377.37	8.17	-104.79
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300003852230	0	38	-2.0	-110.40	344.84	7.27	-103.13
O=C([O-])C1=CC=C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C=C1	REAL300003852256	0	33	-2.0	-112.91	296.74	7.13	-105.78
O=C([O-])C1=CC=C(NC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)C=C1	REAL300003852275	0	35	-2.0	-90.26	339.07	4.43	-85.83
O=C([O-])C1=CC=C(NC(=O)C2=CN=C(I)C([O-])=C2)C=C1	REAL300003852314	0	27	-2.0	-92.24	278.33	4.16	-88.08
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC=C(C(=O)[O-])C=C3)=N2)=C1	REAL300003852369	0	38	-2.0	-117.58	341.93	6.90	-110.68
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300003852370	0	41	-2.0	-115.51	358.29	8.01	-107.50
CC1=C(CC(=O)NC2=CC=C(C(=O)[O-])C=C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003852418	1	41	-2.0	-107.59	361.13	5.37	-102.22
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CCOC1=CC(C(=O)NC2=CC=C(C(=O)[O-])C=C2)=CC(Cl)=C1[O-]	REAL300003852546	1	35	-2.0	-94.29	323.46	6.58	-87.71
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COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(C(=O)[O-])C=C3)=N2)C=C1	REAL300003852556	0	39	-2.0	-112.98	346.65	5.55	-107.43
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=C(C(=O)[O-])C=C2)=CO1	REAL300003852575	1	32	-2.0	-99.49	308.38	0.80	-98.69
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COCC1=NC=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2)C(=O)[N-]1	REAL300003852941	1	33	-2.0	-90.42	297.90	2.28	-88.14
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O=C([O-])C1=CC=C(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C=C1	REAL300003853205	0	28	-2.0	-100.18	286.69	7.53	-92.65
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O=C([O-])CC1=CSC([N-]C(=O)CC2=CC=CC(C(F)(F)F)=C2)=N1	REAL300003854525	1	32	-2.0	-105.77	314.83	6.61	-99.16
CC1=CC(Cl)=CC=C1OCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003854526	1	33	-2.0	-105.75	321.82	6.65	-99.10
CC(OC1=CC=CC=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003854528	1	33	-2.0	-109.50	302.66	6.03	-103.47
COC1=CC=CC(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1	REAL300003854529	1	33	-2.0	-110.19	305.59	4.92	-105.27
COC1=CC=C(OCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300003854530	1	34	-2.0	-108.22	314.51	4.70	-103.52
CC1=CC=CC(OCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1	REAL300003854531	1	33	-2.0	-109.60	306.42	6.10	-103.50
COC1=CC=CC=C1OCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003854532	1	34	-2.0	-114.53	314.27	5.18	-109.35
N#CC1=CC=C(OCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300003854533	1	31	-2.0	-105.59	305.83	5.83	-99.76
CCOC1=CC=CC=C1OCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003854534	1	37	-2.0	-115.10	336.12	6.10	-109.00
CC1=CC(OCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=CC=C1Cl	REAL300003854535	1	33	-2.0	-105.75	320.47	6.53	-99.22
O=C([O-])CC1=CSC([N-]C(=O)CCCOC2=CC=CC=C2)=N1	REAL300003854536	1	36	-2.0	-108.39	327.46	6.01	-102.38
CCOC1=CC=C(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300003854542	1	36	-2.0	-107.79	327.46	5.84	-101.95
O=C([O-])CC1=CSC([N-]C(=O)CCC(=O)C2=CC=CC=C2)=N1	REAL300003854543	1	34	-2.0	-110.43	317.72	6.25	-104.18
O=C([O-])CC1=CSC([N-]C(=O)CC2=CC=CC=C2Cl)=N1	REAL300003854544	1	29	-2.0	-110.00	289.97	6.04	-103.96
CC1=CC=C(OCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300003854545	1	33	-2.0	-109.24	306.42	6.10	-103.14
COC1=CC=CC=C1CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003854546	1	33	-2.0	-112.83	304.42	4.98	-107.85
COC1=CC=C(CCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1OC	REAL300003854547	1	40	-2.0	-109.13	356.25	5.62	-103.51
COC1=CC=CC=C1CCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003854548	1	36	-2.0	-112.13	325.82	5.78	-106.35
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COC1=CC(C#N)=CC=C1OCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003854565	1	35	-2.0	-109.69	335.05	5.58	-104.11
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COC1=CC=C(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300003854578	1	33	-2.0	-107.90	305.60	4.92	-102.98
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O=C([O-])CC1=CSC([N-]C(=O)COC2=CC=C(Cl)C=C2)=N1	REAL300003854582	1	30	-2.0	-105.35	301.74	5.94	-99.41
CC1=CC=CC=C1OCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003854584	1	33	-2.0	-109.75	305.10	6.14	-103.61
O=C([O-])CC1=CSC([N-]C(=O)COC2=CC=CC=C2Cl)=N1	REAL300003854585	1	30	-2.0	-110.06	301.05	5.96	-104.10
CC1=CC(C)=CC(OCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1	REAL300003854586	1	36	-2.0	-110.06	327.83	6.75	-103.31
CC1=CC=C(Cl)C(OCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1	REAL300003854587	1	33	-2.0	-110.19	322.45	6.63	-103.56
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CCCOC1=CC=C(OCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300003854589	1	40	-2.0	-107.70	357.87	6.43	-101.27
CCOC1=CC=C(OCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300003854590	1	37	-2.0	-108.05	336.37	5.63	-102.42
CC1=CC=C(OC(C)C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300003854591	1	36	-2.0	-109.58	324.07	6.71	-102.87
O=C([O-])CC1=CSC([N-]C(=O)COC2=CC=C(F)C=C2Br)=N1	REAL300003854592	1	30	-2.0	-105.26	311.84	6.13	-99.13
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CC(OC1=CC=C(F)C=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003854594	1	33	-2.0	-105.51	309.07	6.09	-99.42
O=C([O-])CC1=CSC([N-]C(=O)C2(C3=CC=CC=C3)CCOCC2)=N1	REAL300003854596	1	40	-2.0	-109.74	333.68	6.47	-103.27
O=C([O-])CC1=CSC([N-]C(=O)C2(C3=CC=C(F)C=C3)CCOCC2)=N1	REAL300003854597	1	40	-2.0	-106.51	340.10	6.54	-99.97
O=C([O-])CC1=CSC([N-]C(=O)C2(C3=CC=CC(F)=C3)CCOCC2)=N1	REAL300003854598	1	40	-2.0	-103.75	340.10	6.54	-97.21
O=C([O-])CC1=CSC([N-]C(=O)C2(C3=CC=CC(Cl)=C3)CCOCC2)=N1	REAL300003854599	1	40	-2.0	-104.24	350.43	6.99	-97.25
COC1=CC=C(C2(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)CCOCC2)C=C1	REAL300003854600	1	44	-2.0	-111.25	363.15	5.77	-105.48
O=C([O-])CC1=CSC([N-]C(=O)C2(C3=CC=CC=C3Cl)CCOCC2)=N1	REAL300003854601	1	40	-2.0	-109.29	344.21	6.13	-103.16
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CC1=CC(=O)C(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=NN1C1=CC=CC=C1	REAL300003854603	1	38	-2.0	-130.62	348.66	7.49	-123.13
CC(=O)N1CCC2=CC=CC=C2C1CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003854604	1	43	-2.0	-121.13	357.10	7.45	-113.68
CC(C)(C)C(=O)N1CCCC(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C1	REAL300003854605	1	45	-2.0	-117.03	363.45	5.43	-111.60
C=CCC1=CC=C(OCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C(OC)=C1	REAL300003854607	1	41	-2.0	-113.91	369.96	7.17	-106.74
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CC1=CC=C(C2=NC(CC(=O)[N-]C3=NC(CC(=O)[O-])=CS3)=CS2)O1	REAL300003854619	1	35	-2.0	-120.56	344.21	5.45	-115.11
O=C([O-])CC1=CSC([N-]C(=O)CC2=CSC(C3=NC=CC=N3)=N2)=N1	REAL300003854625	1	33	-2.0	-122.66	331.48	3.94	-118.72
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CCC1=NC(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=CS1	REAL300003854631	1	31	-2.0	-113.27	303.00	4.25	-109.02
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CC(C1=CC=CC=C1)N1CC(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC1=O	REAL300003854686	1	43	-2.0	-106.64	372.31	7.07	-99.57
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CC1=CC=C(C(=O)CCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1C	REAL300003854758	1	40	-2.0	-110.91	356.08	7.45	-103.46
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CCC1=CC=C(N2CC(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)CC2=O)C=C1	REAL300003854761	1	43	-2.0	-113.29	372.74	7.42	-105.87
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CC(CC1=CC=CC=C1F)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003855020	1	35	-2.0	-110.24	314.80	6.83	-103.41
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CC(C)C(CC1=CC=CC=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003855022	1	41	-2.0	-108.87	344.35	9.04	-99.83
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CC(OC1=CC=CC=C1Br)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003855064	1	33	-2.0	-110.09	323.33	6.63	-103.46
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CCCC(CC1CCCC1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003855167	1	44	-2.0	-109.14	355.91	8.91	-100.23
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CN1C(=O)NC=C(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C1=O	REAL300003855179	1	29	-2.0	-119.28	280.86	1.91	-117.37
CCC(NC1=C([N+](=O)[O-])C(C)=NN1C)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003855185	1	42	-2.0	-103.41	373.18	4.27	-99.14
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CCC(CC1=CC=CC(Br)=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003855189	1	38	-2.0	-106.79	350.94	9.07	-97.72
CC(CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=CC(F)=C1	REAL300003855192	1	35	-2.0	-106.01	317.34	6.93	-99.08
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CC(CCC1=CC=CC=C1F)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003855194	1	38	-2.0	-112.55	341.74	7.76	-104.79
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CC(C)S(=O)(=O)CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003855200	1	31	-2.0	-118.58	296.14	1.10	-117.48
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CC1=CC=C(CCC(=O)NCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300003855206	1	42	-2.0	-105.99	377.87	5.60	-100.39
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CC(C)COC1=CC=C(C2(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)CCC2)C=C1	REAL300003855212	1	49	-2.0	-115.12	406.66	9.66	-105.46
CC1CCCCC1OCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003855213	1	39	-2.0	-110.33	330.30	6.28	-104.05
CC1=C(Cl)C=CC=C1OCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003855215	1	33	-2.0	-106.92	319.14	6.56	-100.36
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CC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=C(Br)S1	REAL300003855585	1	29	-2.0	-104.41	306.66	6.09	-98.32
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CC(CCOC1=CC=CC=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003855590	1	39	-2.0	-109.16	344.64	6.55	-102.61
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CCCC(NC(=O)CC1=CC=CC=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003855630	1	45	-2.0	-108.16	390.78	6.35	-101.81
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CC1=NC(CSCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=CS1	REAL300003855647	1	32	-2.0	-110.35	327.11	4.67	-105.68
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CC1=C2C(CC(=O)[N-]C3=NC(CC(=O)[O-])=CS3)=CNC2=CC=C1	REAL300003855656	1	36	-2.0	-113.16	323.21	6.13	-107.03
COC(C)(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=CC=C1	REAL300003855657	1	36	-2.0	-113.30	313.71	4.87	-108.43
CCCN(CCC)C(=O)CCCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003855658	1	47	-2.0	-115.49	399.74	7.13	-108.36
CCCN(CCC)C(=O)CCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003855659	1	44	-2.0	-110.96	378.24	6.35	-104.61
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CC(C)OC1=CC=CC(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1	REAL300003856001	1	39	-2.0	-110.66	345.36	6.47	-104.19
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CC(CC1=CC=CC(F)=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003856005	1	35	-2.0	-106.89	320.27	6.97	-99.92
CC(CC1=CC=C(F)C=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003856006	1	35	-2.0	-105.40	320.27	6.96	-98.44
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CC(C)NC(=O)N1CCC[C@H]1C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003856802	1	41	-2.0	-127.01	354.62	3.80	-123.21
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CC(C)C(OC1=CC=CC(Cl)=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003856813	1	39	-2.0	-107.87	349.83	8.54	-99.33
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CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=NC(CC(=O)[O-])=CS1	REAL300003856826	1	40	-2.0	-101.10	365.49	4.84	-96.26
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CC(CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=C(F)C=C1F	REAL300003856829	1	35	-2.0	-105.97	322.38	6.95	-99.02
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CC(CC1=CC=CC=C1Cl)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003857007	1	35	-2.0	-109.71	319.85	7.09	-102.62
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CC(OC1=CC=CC2=CC=CC=C21)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003857019	1	39	-2.0	-113.22	347.71	8.33	-104.89
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CCCOC1=CC=CC(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1	REAL300003857035	1	39	-2.0	-109.91	348.94	6.65	-103.26
O=C([O-])CC1=CSC([N-]C(=O)CC2=CC=CC(OCC(F)(F)F)=C2)=N1	REAL300003857036	1	36	-2.0	-110.61	347.02	6.31	-104.30
CC(C)CC1=CC=C(CCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300003857037	1	44	-2.0	-107.52	378.65	9.11	-98.41
COC1=CC=C(CC(C)C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1OC	REAL300003857045	1	43	-2.0	-109.82	372.65	6.08	-103.74
CC(C)(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=C(OC(F)(F)F)C=C1	REAL300003857047	1	39	-2.0	-105.27	354.68	6.37	-98.90
CC(C)(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=C(Cl)C=C1F	REAL300003857048	1	35	-2.0	-109.69	327.72	7.06	-102.63
CCC(C)(C)C1CCC(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC1	REAL300003857051	1	50	-2.0	-108.13	378.96	8.38	-99.75
O=C([O-])CC1=CSC([N-]C(=O)C2(CC3=CC=CC=C3Cl)CC2)=N1	REAL300003857052	1	36	-2.0	-107.82	326.80	9.65	-98.17
CS(=O)(=O)C1=CC=CC=C1CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003857053	1	35	-2.0	-121.09	324.37	3.31	-117.78
COC1=CC=C(OC)C(C2CC2C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1	REAL300003857054	1	41	-2.0	-115.88	361.86	5.61	-110.27
O=C([O-])CC1=CSC([N-]C(=O)C2(CC3=CC=CC(F)=C3)CCC2)=N1	REAL300003857056	1	39	-2.0	-115.33	334.80	9.27	-106.06
O=C([O-])CC1=CSC([N-]C(=O)C(F)C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300003857059	1	32	-2.0	-103.84	318.82	6.65	-97.19
CC(C)(COCC1=CC=CC=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003857061	1	42	-2.0	-106.96	369.88	7.08	-99.88
CC1=CC2=C(C=C1C)C(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)CO2	REAL300003857064	1	37	-2.0	-111.54	328.28	5.82	-105.72
O=C([O-])CC1=CSC([N-]C(=O)CN2C3=CC=CC=C3N=C2C(F)(F)F)=N1	REAL300003857067	1	35	-2.0	-107.89	341.18	6.67	-101.22
O=C([O-])CC1=CSC([N-]C(=O)CC2=CC=C(F)C=C2Cl)=N1	REAL300003857073	1	29	-2.0	-105.58	296.37	6.11	-99.47
O=C([O-])CC1=CSC([N-]C(=O)CC2=CC=CC(OC(F)(F)F)=C2)=N1	REAL300003857074	1	33	-2.0	-105.01	322.09	5.41	-99.60
O=C([O-])CC1=CSC([N-]C(=O)CC2=CC(F)=CC=C2Br)=N1	REAL300003857075	1	29	-2.0	-105.88	300.71	6.21	-99.67
COC1=CC=C2OCC(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)CC2=C1	REAL300003857077	1	38	-2.0	-107.33	336.50	4.76	-102.57
CCC(CC1=CC=CC=C1C)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003857081	1	41	-2.0	-110.29	344.02	8.09	-102.20
CC(=O)NC1=CC=CC(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1	REAL300003857082	1	36	-2.0	-110.76	332.18	4.53	-106.23
C=CCC1(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CCOCC1	REAL300003857085	1	37	-2.0	-107.01	310.12	5.26	-101.75
O=C([O-])CC1=CSC([N-]C(=O)[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)=N1	REAL300003857086	1	39	-2.0	-108.41	324.94	6.73	-101.68
CN1N=C(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C2=CC=CC=C21	REAL300003857092	1	35	-2.0	-115.46	326.04	5.49	-109.97
O=C([O-])CC1=CSC([N-]C(=O)C2(OC3=CC=CC=C3)CC2)=N1	REAL300003857097	1	34	-2.0	-110.26	312.52	5.94	-104.32
O=C([O-])CC1=CSC([N-]C(=O)C2(C3=C(F)C=CC=C3F)CCC2)=N1	REAL300003857098	1	36	-2.0	-113.27	328.06	7.29	-105.98
O=C([O-])CC1=CSC([N-]C(=O)CC2=CC=C(N3C=NN=C3)C=C2)=N1	REAL300003857101	1	35	-2.0	-108.68	327.03	8.59	-100.09
O=C([O-])CC1=CSC([N-]C(=O)CCC2=CC=CC(OC(F)F)=C2)=N1	REAL300003857102	1	36	-2.0	-109.31	336.75	6.00	-103.31
CC1=CSC(CCCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=N1	REAL300003857104	1	34	-2.0	-109.30	325.58	4.91	-104.39
O=C([O-])CC1=CSC([N-]C(=O)CN2N=NN=C2C2=CSC=C2)=N1	REAL300003857108	1	31	-2.0	-106.23	310.11	3.55	-102.68
CN1N=C(C2CC2)N=C1CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003857110	1	35	-2.0	-109.17	324.66	5.06	-104.11
O=C([O-])CC1=CSC([N-]C(=O)[C@@H]2CCCN2C(=O)C2CC2)=N1	REAL300003857112	1	37	-2.0	-124.67	326.78	5.76	-118.91
CC1(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CCC2=CC=CC=C21	REAL300003857113	1	36	-2.0	-110.77	317.75	7.18	-103.59
CC1=CC=C(C2(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)CCC2)C=C1	REAL300003857114	1	39	-2.0	-113.61	334.67	8.66	-104.95
O=C([O-])CC1=CSC([N-]C(=O)C2(C3=CC=CC=C3F)CCC2)=N1	REAL300003857115	1	36	-2.0	-118.17	316.44	8.50	-109.67
O=C([O-])CC1=CSC([N-]C(=O)CN2C=CC3=CC=C(F)C=C32)=N1	REAL300003857116	1	33	-2.0	-108.65	315.65	7.17	-101.48
CSC1=CC=C(CCCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300003857118	1	39	-2.0	-107.99	359.21	8.23	-99.76
O=C([O-])CC1=CSC([N-]C(=O)C2CCCCC2C2CC2)=N1	REAL300003857119	1	39	-2.0	-113.43	323.59	6.88	-106.55
O=C([O-])CC1=CSC([N-]C(=O)C2CCC3=CC(Br)=CC=C32)=N1	REAL300003857120	1	33	-2.0	-108.63	317.22	7.67	-100.96
O=C([O-])CC1=CSC([N-]C(=O)CC2=CC=C3OCCCC3=C2)=N1	REAL300003857121	1	37	-2.0	-109.73	329.80	6.25	-103.48
O=C([O-])CC1=CSC([N-]C(=O)C2COCCN2CC(F)(F)F)=N1	REAL300003857122	1	35	-2.0	-101.29	313.69	1.37	-99.92
O=C([O-])CC1=CSC([N-]C(=O)CC2=C3C=CC=CN3N=C2)=N1	REAL300003857124	1	32	-2.0	-114.39	303.83	5.42	-108.97
O=C([O-])CC1=CSC([N-]C(=O)C2CCC3=NC=NC=C3C2)=N1	REAL300003857127	1	34	-2.0	-105.02	306.02	5.28	-99.74
CCCC1=CC=C(CCCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300003857128	1	44	-2.0	-107.73	383.38	9.43	-98.30
O=C([O-])CC1=CSC([N-]C(=O)CC2=CC=CC(CC(F)(F)F)=C2)=N1	REAL300003857130	1	35	-2.0	-108.16	337.09	7.39	-100.77
CC1(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC1(F)Cl	REAL300003857133	1	29	-2.0	-102.47	287.36	5.19	-97.28
O=C([O-])CC1=CSC([N-]C(=O)C2CCC3=CC=CC=C3C2)=N1	REAL300003857137	1	36	-2.0	-110.68	316.21	7.30	-103.38
O=C([O-])CC1=CSC([N-]C(=O)COCCC2=CC=CC(F)=C2)=N1	REAL300003857138	1	36	-2.0	-108.22	338.48	6.76	-101.46
CC(COCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=CC=C1	REAL300003857139	1	39	-2.0	-108.39	348.89	7.22	-101.17
O=C([O-])CC1=CSC([N-]C(=O)C2CCOC3=CC=C(Br)C=C32)=N1	REAL300003857140	1	34	-2.0	-109.49	322.63	6.83	-102.66
O=C([O-])CC1=CSC([N-]C(=O)C2CCCC3=C(O)C=CC=C32)=N1	REAL300003857142	1	37	-2.0	-109.92	319.84	5.37	-104.55
CCC1CCCCC1OCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003857143	1	42	-2.0	-110.63	348.71	6.92	-103.71
O=C([O-])CC1=CSC([N-]C(=O)C2CCS(=O)(=O)N2)=N1	REAL300003857146	1	28	-2.0	-107.18	274.81	-1.78	-108.96
O=C([O-])CC1=CSC([N-]C(=O)C2(C3=CC(F)=CC(C(F)(F)F)=C3)CC2)=N1	REAL300003857151	1	36	-2.0	-109.81	342.72	8.85	-100.96
COCCOC1=CC=C(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300003857153	1	40	-2.0	-109.55	361.08	5.12	-104.43
O=C([O-])CC1=CSC([N-]C(=O)C2(N3C=NN=N3)CCCCC2)=N1	REAL300003857154	1	37	-2.0	-103.94	318.78	4.92	-99.02
O=C([O-])CC1=CSC([N-]C(=O)C2(C3=CC=CC=C3Cl)CCC2)=N1	REAL300003857155	1	36	-2.0	-111.55	329.92	7.55	-104.00
O=C([O-])CC1=CSC([N-]C(=O)CCCC2=CC=C3CCCCC3=C2)=N1	REAL300003857160	1	45	-2.0	-108.73	381.69	9.70	-99.03
CC1=NN(CC2CC2)C(C)=C1CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003857163	1	42	-2.0	-110.13	371.48	6.84	-103.29
COC1=CC=C2C(=C1)C1=C(CCCC1)N2CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003857164	1	47	-2.0	-110.84	401.35	8.75	-102.09
COC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=CC=C1Br	REAL300003857165	1	33	-2.0	-109.40	322.65	6.74	-102.66
O=C([O-])CC1=CSC([N-]C(=O)CCC2=CC=C3OC(F)(F)OC3=C2)=N1	REAL300003857167	1	35	-2.0	-104.47	337.11	5.53	-98.94
O=C([O-])CC1=CSC([N-]C(=O)C2CCC3(CC3(F)F)CC2)=N1	REAL300003857169	1	36	-2.0	-111.55	315.00	6.47	-105.08
O=C([O-])CC1=CSC([N-]C(=O)CC2OCC3=CC(Cl)=CC=C32)=N1	REAL300003857171	1	34	-2.0	-109.35	327.00	6.11	-103.24
O=C([O-])CC1=CSC([N-]C(=O)CCC2=C(Cl)C=CC=C2Cl)=N1	REAL300003857175	1	32	-2.0	-110.62	325.59	7.27	-103.35
O=C([O-])CC1=CSC([N-]C(=O)CCCC2=C(F)C=CC=C2F)=N1	REAL300003857179	1	35	-2.0	-111.46	329.61	7.26	-104.20
CC1=CC=C(C2(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)CCOCC2)C=C1C	REAL300003857182	1	46	-2.0	-111.20	372.13	7.66	-103.54
O=C([O-])CC1=CSC([N-]C(=O)C2(C3=CC=C(C(F)(F)F)C=C3)CCC2)=N1	REAL300003857183	1	39	-2.0	-109.18	352.22	8.94	-100.24
O=C([O-])CC1=CSC([N-]C(=O)C2CCCCC2N2C=CC=N2)=N1	REAL300003857184	1	39	-2.0	-110.60	326.02	6.64	-103.96
CC(C)C1CCC(C)CC1C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003857185	1	44	-2.0	-113.11	349.70	7.19	-105.92
O=C([O-])CC1=CSC([N-]C(=O)CC2=CN3CCCCC3=N2)=N1	REAL300003857186	1	36	-2.0	-120.93	319.09	5.92	-115.01
O=C([O-])CC1=CSC([N-]C(=O)CCCC2=CC=C(F)C=C2)=N1	REAL300003857193	1	35	-2.0	-106.41	325.40	7.28	-99.13
CS(=O)(=O)N1CCC(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC1	REAL300003857194	1	40	-2.0	-111.61	350.81	2.35	-109.26
O=C([O-])CC1=CSC([N-]C(=O)CC2OCC3=CC=CC=C32)=N1	REAL300003857195	1	34	-2.0	-113.04	310.57	5.53	-107.51
COC1=CC=C2CCCC(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)C2=C1	REAL300003857196	1	40	-2.0	-120.00	339.68	7.42	-112.58
O=C([O-])CC1=CSC([N-]C(=O)CCC2CCCCCC2)=N1	REAL300003857198	1	41	-2.0	-106.70	329.45	7.01	-99.69
O=C([O-])CC1=CSC([N-]C(=O)C2CCCS2(=O)=O)=N1	REAL300003857200	1	29	-2.0	-118.23	276.68	1.70	-116.53
CC(C)OC1=CC=CC=C1C(F)(F)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003857202	0	39	-2.0	-118.81	353.44	6.71	-112.10
CC1=C(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)NC(=O)C2=CC=CC=C12	REAL300003857203	1	35	-2.0	-113.09	316.65	4.88	-108.21
CC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=C(Cl)C=C1	REAL300003857205	1	32	-2.0	-105.01	309.74	6.68	-98.33
COC(CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C(F)(F)F	REAL300003857206	1	29	-2.0	-102.74	284.09	3.45	-99.29
CSCC1(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC1	REAL300003857207	1	33	-2.0	-109.10	308.19	5.75	-103.35
O=C([O-])CC1=CSC([N-]C(=O)CC2C3CC4CC(C3)CC2C4)=N1	REAL300003857209	1	43	-2.0	-110.82	329.89	7.40	-103.42
O=C([O-])CC1=CSC([N-]C(=O)C2(C3=CC=CC(OC(F)(F)F)=C3)CC2)=N1	REAL300003857214	1	37	-2.0	-115.29	343.24	7.57	-107.72
O=C([O-])CC1=CSC([N-]C(=O)CC23CCCCC2C3(F)F)=N1	REAL300003857218	1	36	-2.0	-104.48	312.81	6.37	-98.11
O=C([O-])CC1=CSC([N-]C(=O)[C@H]2CC[C@H](C3CCC3)CC2)=N1	REAL300003857220	1	42	-2.0	-108.33	346.00	7.79	-100.54
COC1=CC=C([C@@H]2C[C@H]2CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300003857221	1	40	-2.0	-108.88	353.93	7.05	-101.83
O=C([O-])CC1=CSC([N-]C(=O)CC2=CC=C(OCC3=CC=CC=C3)C=C2)=N1	REAL300003857222	1	43	-2.0	-109.13	387.36	8.90	-100.23
CC(C)C1=CC=C(C2(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)CCCCC2)C=C1	REAL300003857224	1	51	-2.0	-113.84	402.23	10.73	-103.11
CC(C)(CC(F)(F)F)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003857225	1	31	-2.0	-102.33	284.26	4.77	-97.56
O=C([O-])CC1=CSC([N-]C(=O)C2COCC2C2=CC=CC=C2)=N1	REAL300003857226	1	37	-2.0	-110.75	327.11	5.44	-105.31
COC1(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CCC(F)(F)CC1	REAL300003857229	1	36	-2.0	-101.43	303.52	6.69	-94.74
CC1(C)CC(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC(C)(C)C1	REAL300003857230	1	44	-2.0	-110.33	349.24	7.09	-103.24
O=C([O-])CC1=CSC([N-]C(=O)CN2C=C(C3CC3)C=N2)=N1	REAL300003857231	1	33	-2.0	-110.84	307.61	5.19	-105.65
O=C([O-])CC1=CSC([N-]C(=O)C2CC3(CC3(F)F)C2)=N1	REAL300003857234	1	30	-2.0	-103.30	288.32	5.47	-97.83
O=C([O-])CC1=CSC([N-]C(=O)CC2=CC=C(Br)C=C2F)=N1	REAL300003857244	1	29	-2.0	-107.63	302.79	6.28	-101.35
COC1=CC=C([C@@H]2C[C@H]2C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300003857246	1	37	-2.0	-110.59	333.50	6.27	-104.32
O=C([O-])CC1=CSC([N-]C(=O)CC2=CC=C(C3CCCCC3)C=C2)=N1	REAL300003857248	1	45	-2.0	-108.28	377.96	9.43	-98.85
O=C([O-])CC1=CSC([N-]C(=O)C2(C(F)(F)F)CCCCC2)=N1	REAL300003857250	1	35	-2.0	-107.76	306.03	6.11	-101.65
CC(C)(OC1=CC=C(Br)C=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003857251	1	36	-2.0	-105.21	334.94	6.91	-98.30
COC1=CC=CC=C1C(F)(F)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003857253	0	33	-2.0	-116.58	313.54	5.13	-111.45
COCCCN1N=C(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=CC1=O	REAL300003857256	1	38	-2.0	-107.36	351.76	2.76	-104.60
COC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1CCOC1	REAL300003857259	1	34	-2.0	-107.52	303.03	2.87	-104.65
CC(C)(C)N1N=NC(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=N1	REAL300003857260	1	36	-2.0	-112.52	329.45	3.21	-109.31
COCCCOCCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003857262	1	36	-2.0	-105.81	326.78	2.55	-103.26
COC1=CC=C(OC(C)(C)C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300003857263	1	40	-2.0	-107.85	343.16	5.56	-102.29
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COC1=CC=CC(C(OC)C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1	REAL300003857359	1	37	-2.0	-112.61	337.72	4.98	-107.63
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CC(C)(OC1=CC=C(C(F)(F)F)C=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003857365	1	39	-2.0	-104.63	352.37	7.29	-97.34
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CC1=CC=C([C@@H]2C[C@H]2C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1C	REAL300003857370	1	39	-2.0	-111.34	342.43	8.18	-103.16
CC1=CC=CC=C1COCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003857371	1	36	-2.0	-111.03	326.74	6.60	-104.43
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COC1=CC=C(C2(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)CCC2)C=C1OC	REAL300003857391	1	44	-2.0	-115.15	372.44	7.15	-108.00
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COC1=CC=C(C(=O)NC2=NC(CC(=O)[O-])=CS2)C([O-])=C1	REAL300003857393	1	31	-2.0	-106.27	289.38	4.82	-101.45
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CCCOC1=CC=C(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1OCCC	REAL300003857395	1	49	-2.0	-109.11	421.56	8.26	-100.85
CC(C)(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300003857396	1	45	-2.0	-111.90	382.87	9.99	-101.91
COC(C)(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=CC=C1F	REAL300003857397	1	36	-2.0	-110.35	315.07	6.16	-104.19
COC1CCCC(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C1	REAL300003857398	1	39	-2.0	-110.68	326.32	5.05	-105.63
COCCOC1CCC(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC1	REAL300003857400	1	43	-2.0	-116.65	359.66	4.27	-112.38
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CC1(C2=CC=CC(Br)=C2)CC1C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003857406	1	36	-2.0	-108.09	346.24	8.17	-99.92
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CC(C)(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=CC(C(F)(F)F)=N1	REAL300003857414	1	37	-2.0	-106.17	345.51	6.16	-100.01
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CC1=NOC(C2(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)CCOCC2)=C1	REAL300003857435	1	39	-2.0	-102.81	337.49	4.58	-98.23
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COC1=CC=C2C(CC(=O)[N-]C3=NC(CC(=O)[O-])=CS3)=COC2=C1C	REAL300003857447	1	39	-2.0	-110.13	353.40	6.02	-104.11
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CC1(C)CCC(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C(C2=CC=CC=C2)C1	REAL300003857452	1	48	-2.0	-111.54	375.75	9.16	-102.38
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CC(C)(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1CCCCO1	REAL300003857455	1	39	-2.0	-111.63	321.11	5.68	-105.95
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CC(C)C(C)(CC1=CC=CC=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003857460	1	44	-2.0	-108.53	352.13	8.94	-99.59
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CC1(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CCCS1(=O)=O	REAL300003857676	1	32	-2.0	-117.38	295.04	2.41	-114.97
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COC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=C(Br)S1	REAL300003857685	1	30	-2.0	-105.53	320.91	5.46	-100.07
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CC(SC1=CC=C(F)C=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003857694	1	33	-2.0	-106.49	324.79	6.88	-99.61
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CC1(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CCS(=O)(=O)N1	REAL300003857702	1	34	-2.0	-115.67	307.31	-0.24	-115.91
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CC1(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CCOC2=CC=CC=C21	REAL300003857715	1	37	-2.0	-107.95	319.23	5.90	-102.05
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CC(C)(C)CCC1(O)CC(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C1	REAL300003857740	1	45	-2.0	-109.19	369.56	4.62	-104.57
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CC1=C(C)NC(=O)C(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=N1	REAL300003857767	1	31	-2.0	-132.01	292.00	2.40	-129.61
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CC1=CC=C(OCCCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C(Cl)=C1	REAL300003857801	1	39	-2.0	-109.38	364.90	7.24	-102.14
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CC1=NC=CC(CCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=N1	REAL300003857810	1	33	-2.0	-109.00	308.50	4.41	-104.59
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CC(C)(C)C(Br)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003857825	1	31	-2.0	-104.03	287.01	4.84	-99.19
CC1=CC(C)=NN1CCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003857827	1	35	-2.0	-108.83	320.17	4.65	-104.18
O=C([O-])CC1=CSC([N-]C(=O)C2=CC=C(C(F)(F)F)NC2=O)=N1	REAL300003857828	1	29	-2.0	-121.81	295.56	3.37	-118.44
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CC(C)C1=CC=C(C2(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)CCCC2)C=C1	REAL300003857844	1	48	-2.0	-119.25	391.27	10.11	-109.14
CC1=NN(C(C)CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300003857853	1	35	-2.0	-108.53	314.98	4.66	-103.87
CC(C)(CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1)CC1=CC=C(Cl)C=C1	REAL300003857857	1	41	-2.0	-105.42	358.58	8.44	-96.98
CC(C)(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CSC(C2=CC=CS2)=N1	REAL300003857859	1	38	-2.0	-110.52	368.29	6.79	-103.73
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CC1=C(Br)C=C(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C(=O)N1	REAL300003857861	1	29	-2.0	-127.11	295.74	3.57	-123.54
O=C([O-])CC1=CSC([N-]C(=O)C2(CC3=CC=CC=C3)CCOCC2)=N1	REAL300003857866	1	43	-2.0	-107.83	347.36	8.32	-99.51
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CC(C)C1CC(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CCO1	REAL300003857870	1	42	-2.0	-106.30	345.98	5.63	-100.67
CCC1CC(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CCO1	REAL300003857871	1	39	-2.0	-106.31	328.97	5.10	-101.21
COC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CN(C)N=C1	REAL300003857877	1	33	-2.0	-110.21	311.87	3.41	-106.80
CC(C)(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)S(=O)(=O)C1CC1	REAL300003857879	1	35	-2.0	-121.93	322.60	2.54	-119.39
CN1N=CC2=C1N=C(CCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1)NC2=O	REAL300003857881	1	37	-2.0	-106.77	345.31	3.64	-103.13
COC1=CC(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=CC=C1O	REAL300003857882	1	34	-2.0	-108.78	316.36	2.75	-106.03
O=C([O-])CC1=CSC([N-]C(=O)CC2=CC=C(O)C(F)=C2)=N1	REAL300003857883	1	30	-2.0	-106.94	293.33	2.84	-104.10
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O=C([O-])CC1=CSC([N-]C(=O)C(O)CCC2=CC=CC=C2)=N1	REAL300003857887	1	36	-2.0	-106.48	329.33	5.03	-101.45
O=C([O-])CC1=CSC([N-]C(=O)C2(C3=CC=C(Cl)C=C3)CCCCC2)=N1	REAL300003857889	1	42	-2.0	-109.26	358.73	9.32	-99.94
CC(C)(C)C1=CC=C(C2(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)CCC2)C=C1	REAL300003857892	1	48	-2.0	-114.70	389.92	10.26	-104.44
CCC(NC1=NN=NN1C1=CC=CC=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003857895	1	42	-2.0	-104.41	371.95	6.77	-97.64
O=C([O-])CC1=CSC([N-]C(=O)C2(CC3=CC=CC(F)=C3)CCCCC2)=N1	REAL300003857899	1	45	-2.0	-107.92	367.17	10.34	-97.58
CCOCCS(=O)(=O)NCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003857906	1	37	-2.0	-108.47	349.57	-0.94	-109.41
O=C([O-])CC1=CSC([N-]C(=O)CC2=CC=C(Br)C(Cl)=C2)=N1	REAL300003857915	1	29	-2.0	-103.00	312.21	6.69	-96.31
CC1=C(Br)C=CC=C1CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003857916	1	32	-2.0	-106.46	310.95	6.61	-99.85
CC1=C(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C(=O)NC2=CC=CC=C21	REAL300003857918	1	35	-2.0	-127.70	323.02	4.35	-123.35
CC1=NOC(C)=C1C(C)(C)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003857921	1	37	-2.0	-105.58	315.29	5.14	-100.44
O=C([O-])CC1=CSC([N-]C(=O)C2(C3=CC=CN=C3)CC2)=N1	REAL300003857923	1	32	-2.0	-107.80	292.22	5.98	-101.82
CN(C)C1=CC=CC(CCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1	REAL300003857924	1	40	-2.0	-109.51	349.01	6.82	-102.69
CC1=C(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C(Br)C(=O)N1	REAL300003857925	1	29	-2.0	-104.49	294.80	3.25	-101.24
CC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)N(C)CC(F)(F)F	REAL300003857926	1	33	-2.0	-106.59	302.71	2.69	-103.90
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CC(C)CC1=CC=C(C(C)C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300003857937	1	44	-2.0	-109.25	374.18	8.85	-100.40
O=C([O-])CC1=CSC([N-]C(=O)CCCN2C=NC3=CC=CC=C32)=N1	REAL300003857939	1	38	-2.0	-111.17	346.34	8.00	-103.17
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CCC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)N1CCOC(CC)C1	REAL300003858113	1	44	-2.0	-109.73	355.70	3.34	-106.39
CCN(CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1)CC1=CC=CC=C1Cl	REAL300003858114	1	40	-2.0	-111.16	356.55	5.72	-105.44
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COC1=CC=CC(CC2(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)CCCCC2)=C1	REAL300003858229	1	49	-2.0	-112.24	390.26	9.57	-102.67
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CC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC2=CC=CC=C2C=C1	REAL300003858233	1	38	-2.0	-110.64	338.93	8.41	-102.23
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CCON1CCC(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC1	REAL300003858308	1	41	-2.0	-106.07	341.28	3.98	-102.09
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CN1CCC(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C2=CC=CC=C21	REAL300003858389	1	38	-2.0	-111.00	321.97	6.17	-104.83
CC(C)[C@H](NCC(F)(F)F)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003858390	1	36	-2.0	-106.08	323.89	4.07	-102.01
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CC1=C(CCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)SC=N1	REAL300003858416	1	31	-2.0	-106.54	301.47	4.16	-102.38
CC(C)C(OC1=CC=C(Cl)C=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003858417	1	39	-2.0	-106.15	349.83	8.54	-97.61
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O=C([O-])CC1=CSC([N-]C(=O)C2CCN(C3=CC=CC=C3Cl)C2)=N1	REAL300003858738	1	38	-2.0	-107.89	345.98	6.06	-101.83
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CC1=NNC(C)=C1CCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003858747	1	35	-2.0	-108.19	317.98	3.96	-104.23
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NS(=O)(=O)C1=CC=C(CCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300003858751	1	37	-2.0	-112.03	351.73	1.38	-110.65
O=C([O-])CC1=CSC([N-]C(=O)C(C2=CC=CC=C2)N2CCSCC2)=N1	REAL300003858754	1	42	-2.0	-110.83	359.14	6.66	-104.17
CC(C)C(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)N1CC(C)OC(C)C1	REAL300003858755	1	47	-2.0	-109.94	377.47	4.48	-105.46
O=C([O-])CC1=CSC([N-]C(=O)C2CCC(=O)C3=CC=CC=C32)=N1	REAL300003858760	1	35	-2.0	-108.39	315.70	6.38	-102.01
COC(=CC1=CC=CC=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003858762	1	34	-2.0	-110.54	313.22	6.32	-104.22
CC1=C(CCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=NN1C	REAL300003858769	1	35	-2.0	-109.24	318.07	4.63	-104.61
COC1=NOC(CCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1	REAL300003858770	1	32	-2.0	-104.59	305.43	2.00	-102.59
CC1=CC=C(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1O	REAL300003858772	1	33	-2.0	-108.71	307.19	3.52	-105.19
O=C([O-])CC1=CSC([N-]C(=O)CC2CCN(CC(F)F)CC2)=N1	REAL300003858776	1	40	-2.0	-112.48	333.80	3.97	-108.51
O=C([O-])CC1=CSC([N-]C(=O)C2(C3CCCCC3)CCCCC2)=N1	REAL300003858780	1	48	-2.0	-107.38	354.49	10.28	-97.10
O=C([O-])CC1=CSC([N-]C(=O)CC2=CNC3=CC=CC(Cl)=C23)=N1	REAL300003858781	1	33	-2.0	-115.34	320.67	6.04	-109.30
CC1=CC(C)=NC(=O)N1CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003858782	1	34	-2.0	-123.95	313.86	3.10	-120.85
CC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=C(C(F)(F)F)C=C1	REAL300003858783	1	35	-2.0	-104.25	331.75	7.17	-97.08
O=C([O-])CC1=CSC([N-]C(=O)C2CSC(C3=CC=CC=C3O)=N2)=N1	REAL300003858788	1	35	-2.0	-114.55	336.57	2.53	-112.02
CCCC1CC(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CCO1	REAL300003858789	1	39	-2.0	-107.44	332.76	5.13	-102.31
O=C([O-])CC1=CSC([N-]C(=O)COC2=NSN=C2N2CCOCC2)=N1	REAL300003858796	1	38	-2.0	-104.40	352.86	0.43	-103.97
CS(=O)(=O)C1=CC=C(NCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300003858797	1	37	-2.0	-110.32	349.66	1.45	-108.87
CC(OC1=CC=C(C(F)(F)F)C=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003858799	1	36	-2.0	-104.92	341.38	7.03	-97.89
CC1=CC=C(OCCCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C(C)=C1	REAL300003858801	1	42	-2.0	-108.61	368.95	7.43	-101.18
CC1=NNC(C)=C1C(C)CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003858804	1	38	-2.0	-108.21	324.78	4.19	-104.02
O=C([O-])CC1=CSC([N-]C(=O)C2CCCN(CC(F)(F)F)C2)=N1	REAL300003858806	1	37	-2.0	-105.71	330.15	3.92	-101.79
C[C@H](OC1=CC=C(Cl)C=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003858807	1	33	-2.0	-105.64	319.36	6.54	-99.10
CC1=NN(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1C1=CC=CC=C1	REAL300003858810	1	39	-2.0	-112.60	355.67	7.18	-105.42
CC(C)(O)C(OC1=CC=CC=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003858811	1	40	-2.0	-114.61	343.22	5.07	-109.54
O=C([O-])CC1=CSC([N-]C(=O)C2CCC3=NC=CN3C2)=N1	REAL300003858814	1	33	-2.0	-103.10	296.82	5.06	-98.04
O=C([O-])CC1=CSC([N-]C(=O)CC(C2=CC=C(O)C=C2)C2CC2)=N1	REAL300003858816	1	40	-2.0	-108.16	353.63	5.50	-102.66
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O=C([O-])CC1=CSC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)=N1	REAL300003858820	0	35	-2.0	-100.47	326.56	8.51	-91.96
O=C([O-])CC1=CSC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)=N1	REAL300003858820	1	35	-2.0	-100.68	326.61	8.48	-92.20
CC(C)C[C@H](NCC(F)(F)F)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003858821	1	39	-2.0	-104.47	346.38	5.16	-99.31
NS(=O)(=O)CCCCCCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003858822	1	39	-2.0	-116.05	358.80	0.76	-115.29
O=C([O-])CC1=CSC([N-]C(=O)C2(N3CCOCC3)CC2)=N1	REAL300003858826	1	36	-2.0	-110.94	309.62	2.99	-107.95
CC(C)(O)C1CCC(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC1	REAL300003858827	1	42	-2.0	-108.71	340.23	3.51	-105.20
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CC(C)N1C=CC(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=N1	REAL300003858831	1	35	-2.0	-116.96	318.33	4.79	-112.17
O=C([O-])CC1=CSC([N-]C(=O)CCC2=NC3=CC=CC=C3C=C2)=N1	REAL300003858833	1	37	-2.0	-114.40	337.97	6.80	-107.60
O=C([O-])CC1=CSC([N-]C(=O)CCC2=NC3=CC=CC=C3N2)=N1	REAL300003858836	1	35	-2.0	-111.39	323.75	5.12	-106.27
O=C([O-])CC1=CSC([N-]C(=O)COCC2=NC3=CC=CC=C3S2)=N1	REAL300003858838	1	35	-2.0	-114.61	342.24	5.33	-109.28
CN(C)C1=CC=C(CCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300003858845	1	40	-2.0	-109.36	349.01	6.83	-102.53
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CN(CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=CC=C1	REAL300003858851	1	34	-2.0	-109.00	306.65	5.86	-103.14
CN(CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1)CC1=CC=CC=C1	REAL300003858853	1	37	-2.0	-107.78	326.56	4.69	-103.09
CC(C)CC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)N1C=CN=C1	REAL300003858865	1	38	-2.0	-107.17	335.42	7.09	-100.08
CC(CC1=CC=C(Br)C=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003858873	1	35	-2.0	-105.28	335.16	7.52	-97.76
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CCOC1=C2C(CC(=O)[N-]C3=NC(CC(=O)[O-])=CS3)=CNC2=CC=C1	REAL300003858879	1	40	-2.0	-118.04	358.00	5.94	-112.10
O=C([O-])CC1=CSC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL300003858888	0	30	-2.0	-89.76	297.90	2.72	-87.04
O=C([O-])CC1=CSC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL300003858888	1	30	-2.0	-89.75	297.97	2.72	-87.03
CC(CC1=CN(C)N=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003858889	1	35	-2.0	-109.45	317.23	4.64	-104.81
COC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=CC=C1C(F)(F)F	REAL300003858911	1	36	-2.0	-111.44	334.75	7.44	-104.00
CC1=CC=CC=C1C(C)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003858926	1	35	-2.0	-109.94	310.28	6.68	-103.26
CCC1=NOC(COCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=N1	REAL300003858934	1	34	-2.0	-110.36	323.64	2.12	-108.24
O=C([O-])CC1=CSC([N-]C(=O)CN2N=C(C(F)(F)F)C3=C2CCCC3)=N1	REAL300003858941	1	39	-2.0	-108.44	357.38	6.19	-102.25
O=C([O-])CC1=CSC([N-]C(=O)C23CCOC2CCCC3)=N1	REAL300003858945	1	37	-2.0	-114.25	302.94	4.70	-109.55
O=C([O-])CC1=CSC([N-]C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)=N1	REAL300003858946	1	43	-2.0	-111.93	361.61	2.38	-109.55
CC1=NN(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C2=NC=CC=C12	REAL300003858950	1	34	-2.0	-120.90	321.63	5.01	-115.89
CCCOC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=C(F)C=C1C	REAL300003858951	1	42	-2.0	-105.80	370.99	8.61	-97.19
CN(C)C1=CC=C([C@@H]2C[C@H]2C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300003858954	1	41	-2.0	-112.04	355.51	7.38	-104.66
O=C([O-])CC1=CSC([N-]C(=O)C2COC3=C(F)C=C(F)C=C3C2)=N1	REAL300003858955	1	34	-2.0	-102.74	319.53	5.62	-97.12
COC1=CC(OC)=CC(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1	REAL300003858957	1	37	-2.0	-112.22	335.08	4.23	-107.99
O=C([O-])CC1=CSC([N-]C(=O)C(CCC2=CC=CC=C2)CC2=CC=CC=C2)=N1	REAL300003858961	1	48	-2.0	-110.45	409.70	12.61	-97.84
O=C([O-])CC1=CSC([N-]C(=O)CCCCCCCCC2CC2)=N1	REAL300003858962	1	47	-2.0	-106.15	398.18	9.66	-96.49
O=C([O-])CC1=CSC([N-]C(=O)[C@]23CCO[C@@H]2CCCCC3)=N1	REAL300003858963	1	40	-2.0	-108.99	304.19	5.10	-103.89
CC12CCC(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)(CC1)CO2	REAL300003858964	1	37	-2.0	-109.68	310.77	4.37	-105.31
O=C([O-])CC1=CSC([N-]C(=O)C2CCCC3=CNN=C32)=N1	REAL300003858966	1	33	-2.0	-119.36	295.46	3.84	-115.52
CC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC(F)=CC(F)=C1	REAL300003858973	1	32	-2.0	-103.64	305.80	6.30	-97.34
CC(CCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=C(Br)C=C1	REAL300003858974	1	38	-2.0	-106.09	354.57	8.19	-97.90
O=C([O-])CC1=CSC([N-]C(=O)COCC2=CC=C(C(F)(F)F)C=C2)=N1	REAL300003858975	1	36	-2.0	-106.96	349.30	6.91	-100.05
COC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC(F)=CC(F)=C1	REAL300003858978	1	33	-2.0	-104.07	321.23	5.80	-98.27
CC1(C)CC2(CC(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)C2)C1	REAL300003858980	1	39	-2.0	-108.72	329.02	6.80	-101.92
C[C@@H]1C[C@H](C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC(C)(C)C1	REAL300003858983	1	41	-2.0	-110.03	333.08	6.67	-103.36
CC1(C)C2CCC(C2)C1C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003858985	1	39	-2.0	-112.02	310.72	6.36	-105.66
O=C([O-])CC1=CSC([N-]C(=O)C2(C3=CC=CS3)CC2)=N1	REAL300003858990	1	30	-2.0	-109.73	290.78	6.77	-102.96
CCC(C)(COCC1=CC=CC=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003858991	1	45	-2.0	-107.90	385.81	7.58	-100.32
O=C([O-])CC1=CSC([N-]C(=O)C(CCC2=CC=CC=C2)C2=CC=CC=C2)=N1	REAL300003858992	1	45	-2.0	-110.83	395.35	10.60	-100.23
O=C([O-])CC1=CSC([N-]C(=O)C2(C3CCOCC3)CC2)=N1	REAL300003858993	1	37	-2.0	-112.16	314.30	4.94	-107.22
CC1(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC2CCC(C1)S2	REAL300003858995	1	37	-2.0	-110.69	308.01	6.28	-104.41
CC1(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC2CCC(C1)S2(=O)=O	REAL300003858996	1	39	-2.0	-104.85	314.92	2.75	-102.10
O=C([O-])CC1=CSC([N-]C(=O)[C@@H]2CCO[C@H]2C(F)(F)F)=N1	REAL300003858997	1	30	-2.0	-102.87	289.54	3.09	-99.78
O=C([O-])CC1=CSC([N-]C(=O)C(O)CC2=CC(Cl)=CC(Cl)=C2)=N1	REAL300003858999	1	33	-2.0	-102.04	341.25	5.26	-96.78
O=C([O-])CC1=CSC([N-]C(=O)C(O)C2=CC=CC3=C2OCC3)=N1	REAL300003859000	1	35	-2.0	-114.39	319.49	3.46	-110.93
O=C([O-])CC1=CSC([N-]C(=O)[C@@H]2C[C@H]2C2=CC=C(OC(F)F)C=C2)=N1	REAL300003859002	1	37	-2.0	-111.77	343.25	6.55	-105.22
O=C([O-])CC1=CSC([N-]C(=O)CCC2CC(F)(F)C2)=N1	REAL300003859004	1	32	-2.0	-104.81	299.07	5.65	-99.16
O=C([O-])CC1=CSC([N-]C(=O)C2COC3=CC(Cl)=CC=C3C2)=N1	REAL300003859005	1	34	-2.0	-103.59	323.71	6.00	-97.59
O=C([O-])CC1=CSC([N-]C(=O)[C@@H]2C[C@H]2C2=CC=C(Br)C=C2F)=N1	REAL300003859006	1	33	-2.0	-110.69	330.83	7.63	-103.06
CC1(C)COCC(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)O1	REAL300003859007	1	37	-2.0	-111.32	318.52	3.81	-107.51
O=C([O-])CC1=CSC([N-]C(=O)CCCCC(F)(F)F)=N1	REAL300003859008	1	31	-2.0	-105.05	298.71	5.35	-99.70
O=C([O-])CC1=CSC([N-]C(=O)[C@H]2C[C@@H](OC(F)F)C2)=N1	REAL300003859009	1	30	-2.0	-108.98	288.37	3.25	-105.73
CC1=NC2=C(CCCC2CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)O1	REAL300003859015	1	38	-2.0	-118.76	330.14	4.46	-114.30
CCCCCC1=CC=CC(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1	REAL300003859017	1	44	-2.0	-108.67	383.47	9.39	-99.28
CC(=O)N1CSC[C@@H]1C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003859021	1	31	-2.0	-114.70	293.42	4.16	-110.54
COCC1(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CCCCO1	REAL300003859022	1	37	-2.0	-114.95	316.28	3.08	-111.87
O=C([O-])CC1=CSC([N-]C(=O)C2C3CC2(C2=CC=NC=C2)CC3)=N1	REAL300003859025	1	39	-2.0	-113.72	331.64	6.57	-107.15
O=C([O-])CC1=CSC([N-]C(=O)[C@@H]2C[C@H]2C2=CC=C(F)C=C2F)=N1	REAL300003859026	1	33	-2.0	-110.72	315.94	7.07	-103.65
O=C([O-])CC1=CSC([N-]C(=O)C(O)C2CCCCCCC2)=N1	REAL300003859027	1	42	-2.0	-108.05	328.49	4.54	-103.51
O=C([O-])CC1=CSC([N-]C(=O)C2CCC(O)(C3=CC=CC=C3)C2)=N1	REAL300003859030	1	40	-2.0	-112.86	343.08	4.83	-108.03
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COCCN1C=C([C@@H]2OCC[C@H]2C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=N1	REAL300003859032	1	44	-2.0	-107.70	388.05	3.50	-104.20
CN1C=C([C@@H]2OCC[C@H]2C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=N1	REAL300003859033	1	37	-2.0	-108.21	332.80	3.60	-104.61
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COC12CCC(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)(CC1)CC2	REAL300003859051	1	40	-2.0	-107.74	324.34	4.72	-103.02
CC(C)N1N=CC=C1[C@@H]1OCC[C@H]1C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003859052	1	43	-2.0	-108.09	369.85	5.21	-102.88
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CC1=NC=C([N+](=O)[O-])N1CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003859059	1	31	-2.0	-109.44	303.58	5.92	-103.52
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COC1=CC(=O)NC=C1C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003859063	1	30	-2.0	-109.23	286.43	1.93	-107.30
CCCCS(=O)(=O)CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003859065	1	34	-2.0	-118.67	322.08	2.08	-116.59
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COC1(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CCCCCC1	REAL300003859067	1	39	-2.0	-110.07	312.95	4.92	-105.15
O=C([O-])CC1=CSC([N-]C(=O)CC2=NN(CC(F)(F)F)C=C2)=N1	REAL300003859069	1	32	-2.0	-118.44	317.54	4.76	-113.68
CC(C)(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C(F)C1=CC=CC=C1	REAL300003859075	1	38	-2.0	-110.51	331.36	7.27	-103.24
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CCCOC1=CC=C2NC=C(CC(=O)[N-]C3=NC(CC(=O)[O-])=CS3)C2=C1	REAL300003859087	1	43	-2.0	-117.59	380.91	6.69	-110.90
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CC1=CN=C2C(=C1)C=NN2CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003859096	1	34	-2.0	-118.84	321.11	5.06	-113.78
CC(C)(C)OCCOCCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003859103	1	42	-2.0	-108.25	361.40	4.05	-104.20
CCOCCOCCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003859107	1	36	-2.0	-107.94	327.09	2.90	-105.04
CC1(OCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CCOCC1	REAL300003859109	1	37	-2.0	-108.93	315.84	3.55	-105.38
CC1=CC=CN2C(CC(=O)[N-]C3=NC(CC(=O)[O-])=CS3)=CN=C12	REAL300003859110	1	35	-2.0	-112.61	324.01	6.60	-106.01
CS(=O)(=O)C1=CC=C(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300003859111	1	35	-2.0	-116.08	336.79	3.14	-112.94
O=C([O-])CC1=CSC([N-]C(=O)C2(C3=CC=CS3)CC3(CCC3)C2)=N1	REAL300003859112	1	40	-2.0	-111.79	353.33	8.81	-102.98
CC1=C(CC(F)(F)C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C2=CC=CC=C2N1	REAL300003859114	0	39	-2.0	-113.21	360.23	7.15	-106.06
CN1C=C(C2(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)CCCO2)C=N1	REAL300003859119	1	37	-2.0	-113.02	331.34	3.53	-109.49
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O=C([O-])CC1=CSC([N-]C(=O)CN2CCCC3(CC3)S2(=O)=O)=N1	REAL300003859136	1	38	-2.0	-122.46	344.64	2.75	-119.71
NS(=O)(=O)CCCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003859137	1	30	-2.0	-115.62	294.45	-1.60	-117.22
CC1=CC=CC=C1CCC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=CC=C1	REAL300003859142	1	48	-2.0	-110.88	409.69	11.03	-99.85
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CN(C)S(=O)(=O)N1CCC(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC1	REAL300003859146	1	42	-2.0	-108.01	367.78	1.99	-106.02
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COCC1(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CCCC1	REAL300003859151	1	39	-2.0	-109.72	325.60	4.92	-104.80
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C[C@H](CC1CCCCC1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003859159	1	41	-2.0	-107.90	335.11	7.14	-100.76
CN1N=CC2=CC(CC(=O)[N-]C3=NC(CC(=O)[O-])=CS3)=CC=C21	REAL300003859160	1	35	-2.0	-109.33	325.45	5.60	-103.73
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CC1=CC(COCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=NO1	REAL300003859163	1	32	-2.0	-108.42	306.77	4.08	-104.34
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CC(C)(CC1=CC=C(O)C=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003859175	1	39	-2.0	-108.90	340.11	4.40	-104.50
CC1=CC=CC=C1C(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=CC=C1	REAL300003859176	1	42	-2.0	-113.94	363.92	9.41	-104.53
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CC1(C)C2CCC1(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)CC2	REAL300003859182	1	39	-2.0	-112.86	310.94	6.17	-106.69
CC(F)(F)C1(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CCOCC1	REAL300003859184	1	36	-2.0	-100.77	305.22	4.77	-96.00
O=C([O-])CC1=CSC([N-]C(=O)C2(C3CCCO3)CCC2)=N1	REAL300003859185	1	37	-2.0	-113.74	313.22	5.87	-107.87
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CC1=CC=CC(C(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C2CCCCC2)=C1	REAL300003859187	1	48	-2.0	-111.16	393.05	9.92	-101.24
O=C([O-])CC1=CSC([N-]C(=O)CC2=CC=C(Cl)C3=CC=CN=C23)=N1	REAL300003859190	1	34	-2.0	-113.32	330.57	6.57	-106.75
O=C([O-])CC1=CSC([N-]C(=O)C(O)C2=CC=CC(Cl)=C2)=N1	REAL300003859193	1	30	-2.0	-105.77	300.93	4.07	-101.70
CCC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=CC(Cl)=C1	REAL300003859194	1	35	-2.0	-106.27	329.33	7.36	-98.91
CC1=CC=C2SC(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)CC2=C1	REAL300003859195	1	34	-2.0	-110.86	320.41	7.14	-103.72
O=C([O-])CC1=CSC([N-]C(=O)CC2=CC=C(C3CCC3)C=C2)=N1	REAL300003859196	1	39	-2.0	-108.48	341.86	8.21	-100.27
O=C([O-])CC1=CSC([N-]C(=O)C2C3CC2(C2=CC=CC=N2)CC3)=N1	REAL300003859200	1	39	-2.0	-120.41	336.86	7.02	-113.39
O=C([O-])CC1=CSC([N-]C(=O)[C@@H]2C[C@H]2C2=CC=NC=C2)=N1	REAL300003859201	1	32	-2.0	-108.75	299.05	5.22	-103.53
COCC1=NC=C(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C(=O)N1	REAL300003859208	1	32	-2.0	-127.05	306.65	1.50	-125.55
COCC1=NC=C(C(=O)NC2=NC(CC(=O)[O-])=CS2)C(=O)[N-]1	REAL300003859208	1	32	-2.0	-101.28	303.88	1.30	-99.98
CC1=CC=C(C(C)CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300003859209	1	38	-2.0	-107.78	332.35	7.55	-100.23
CC1=CC=C(C)C(C(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C(C)C)=C1	REAL300003859212	1	44	-2.0	-109.84	366.06	9.49	-100.35
CN1C=CC([C@@H]2C[C@H]2C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=N1	REAL300003859216	1	33	-2.0	-117.94	308.86	4.74	-113.20
O=C([O-])CC1=CSC([N-]C(=O)COCCC2=CC=C(Cl)S2)=N1	REAL300003859217	1	33	-2.0	-106.03	339.34	6.40	-99.63
O=C([O-])CC1=CSC([N-]C(=O)CN2N=C(C(F)(F)F)C3=C2CCC3)=N1	REAL300003859218	1	36	-2.0	-109.43	344.52	5.81	-103.62
CCC(F)(F)C(C)(C)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003859220	1	34	-2.0	-112.30	299.46	5.19	-107.11
O=C([O-])CC1=CSC([N-]C(=O)COCCC2=CC=CS2)=N1	REAL300003859221	1	33	-2.0	-107.55	322.29	5.78	-101.77
CC1=CC(Br)=CC(C)=C1CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003859222	1	35	-2.0	-105.73	331.48	7.26	-98.47
COC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1CCCOC1	REAL300003859224	1	37	-2.0	-109.52	314.80	4.12	-105.40
O=C([O-])CC1=CSC([N-]C(=O)[C@@H]2[C@H]3C[C@]2(C2=CC=CC=C2)CC3)=N1	REAL300003859225	1	40	-2.0	-115.11	342.74	8.39	-106.72
CC1=CC=C([C@@H]2C[C@H]2C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300003859229	1	36	-2.0	-110.57	325.41	7.65	-102.92
O=C([O-])CC1=CSC([N-]C(=O)C2CCCNS2(=O)=O)=N1	REAL300003859231	1	31	-2.0	-119.27	292.85	-1.00	-120.27
COC1=CC=C2C(CC(=O)[N-]C3=NC(CC(=O)[O-])=CS3)=CNC2=C1	REAL300003859233	1	37	-2.0	-111.63	337.44	4.97	-106.66
O=C([O-])CC1=CSC([N-]C(=O)CC2=CN(CC3=CC=CC=C3)N=C2)=N1	REAL300003859234	1	39	-2.0	-109.98	360.34	7.28	-102.70
CC1=CC=CC=C1C(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1CCCC1	REAL300003859238	1	45	-2.0	-112.89	370.34	9.81	-103.08
CC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=CC(C(F)(F)F)=C1	REAL300003859242	1	35	-2.0	-105.32	332.08	7.18	-98.14
O=C([O-])CC1=CSC([N-]C(=O)C2CCCC23CCOCC3)=N1	REAL300003859243	1	40	-2.0	-114.32	322.38	4.80	-109.52
O=C([O-])CC1=CSC([N-]C(=O)CC2=CC3=CC=CN=C3C=C2)=N1	REAL300003859251	1	34	-2.0	-110.51	317.22	5.98	-104.53
O=C([O-])CC1=CSC([N-]C(=O)C2=CN=C(C3CCC3)NC2=O)=N1	REAL300003859252	1	35	-2.0	-125.50	320.55	4.38	-121.12
CC1CCCN2C(CC(=O)[N-]C3=NC(CC(=O)[O-])=CS3)=CN=C12	REAL300003859254	1	39	-2.0	-111.75	339.32	6.17	-105.58
CC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=C(F)C=C1	REAL300003859256	1	32	-2.0	-104.82	299.42	6.23	-98.59
O=C([O-])CC1=CSC([N-]C(=O)C2CCCC3=NC=NN32)=N1	REAL300003859257	1	32	-2.0	-116.90	291.22	5.27	-111.63
O=C([O-])CC1=CSC([N-]C(=O)CC2(O)CCCOC2)=N1	REAL300003859258	1	34	-2.0	-109.37	295.16	1.61	-107.76
CC(C)(OCC(F)(F)F)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003859259	1	32	-2.0	-108.20	303.96	4.49	-103.71
O=C([O-])CC1=CSC([N-]C(=O)[C@@H]2CCC[C@H]2C(F)(F)F)=N1	REAL300003859260	1	32	-2.0	-105.97	296.09	5.52	-100.45
O=C([O-])CC1=CSC([N-]C(=O)C2=CC3=CC=C(Cl)C=C3OC2)=N1	REAL300003859261	1	32	-2.0	-108.05	316.13	6.14	-101.91
CCOC1=CC=C(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)N=C1	REAL300003859262	1	35	-2.0	-112.75	320.96	4.20	-108.55
COCC1(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CCCO1	REAL300003859264	1	34	-2.0	-116.99	303.32	2.13	-114.86
CC1(C)C2CCC1(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)CC2	REAL300003859266	1	39	-2.0	-112.86	310.94	6.17	-106.69
O=C([O-])CC1=CSC([N-]C(=O)C(O)C2=CC=C(C3CC3)C=C2)=N1	REAL300003859267	1	37	-2.0	-107.31	333.43	5.67	-101.64
CC1=CC=CC=C1C(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1CCCCC1	REAL300003859269	1	48	-2.0	-111.98	388.51	9.77	-102.21
O=C([O-])CC1=CSC([N-]C(=O)C2(CC3=CC=CC=C3)CCC3=CC=CC=C32)=N1	REAL300003859270	1	46	-2.0	-119.57	392.22	10.71	-108.86
CN1C=CC(C(C)(C)C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=N1	REAL300003859272	1	35	-2.0	-113.66	316.87	4.42	-109.24
O=C([O-])CC1=CSC([N-]C(=O)[C@@H]2CSC(C3=CC=CC=C3)=N2)=N1	REAL300003859273	1	34	-2.0	-112.17	327.74	4.86	-107.31
O=C([O-])CC1=CSC([N-]C(=O)CN2C=CC3=CC=C(Br)C=C32)=N1	REAL300003859282	1	33	-2.0	-107.36	330.52	7.71	-99.65
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COC1=NN2C(=NN=C2CCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300003859287	1	37	-2.0	-114.24	346.97	3.19	-111.05
CCC(CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1)CC1=CC=CC=C1	REAL300003859290	1	41	-2.0	-110.29	349.60	8.22	-102.07
CC1=NC=C(CCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)S1	REAL300003859294	1	31	-2.0	-106.87	304.20	4.37	-102.50
CC1(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC2=CC=CC=C2C1	REAL300003859296	1	36	-2.0	-109.52	318.15	7.20	-102.32
CC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=C(F)C(Cl)=C1	REAL300003859297	1	32	-2.0	-104.80	315.60	6.72	-98.08
O=C([O-])CC1=CSC([N-]C(=O)CCC2=NN=C(C3CC3)N2C2=CC=CC=C2)=N1	REAL300003859301	1	45	-2.0	-111.43	403.61	10.07	-101.36
CCC(=O)N1CSC[C@H]1C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003859305	1	34	-2.0	-120.87	315.23	4.80	-116.07
O=C([O-])CC1=CSC([N-]C(=O)[C@@H]2C[C@@H]3[C@H](C2)C3(F)F)=N1	REAL300003859307	1	30	-2.0	-102.39	281.13	5.36	-97.03
O=C([O-])CC1=CSC([N-]C(=O)C2CCCCN2CC2=CC=CC(F)=C2)=N1	REAL300003859310	1	44	-2.0	-110.16	374.59	6.34	-103.82
CC1=CC(F)=CC=C1C(O)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003859313	1	33	-2.0	-102.43	303.54	4.77	-97.66
N#CC1(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC12CCOCC2	REAL300003859314	1	35	-2.0	-108.29	314.68	4.32	-103.97
O=C([O-])CC1=CSC([N-]C(=O)[C@@H]2CCO[C@H]2C2=CC=CN=C2)=N1	REAL300003859315	1	36	-2.0	-107.26	324.35	4.02	-103.24
COC1=CC=C(C(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C2CCCCC2)C=C1	REAL300003859316	1	49	-2.0	-109.45	398.65	9.47	-99.98
O=C([O-])CC1=CSC([N-]C(=O)C2(C(F)(F)F)CC3(CCC3)C2)=N1	REAL300003859318	1	36	-2.0	-107.98	322.12	6.97	-101.01
O=C([O-])CC1=CSC([N-]C(=O)C(F)(F)C2=CC=CN=C2)=N1	REAL300003859319	0	28	-2.0	-108.38	281.26	3.96	-104.42
COCC1(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CCOCC1	REAL300003859320	1	40	-2.0	-107.27	327.42	2.94	-104.33
CCC(O)(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=CC=C1	REAL300003859321	1	36	-2.0	-109.87	316.40	4.20	-105.67
O=C([O-])CC1=CSC([N-]C(=O)[C@@H]2C[C@H]2C2=CC=CC=N2)=N1	REAL300003859330	1	32	-2.0	-116.15	299.36	5.15	-111.00
CC(=O)N1CSC[C@H]1C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003859332	1	31	-2.0	-116.48	294.40	4.21	-112.27
COC1=CC=CC2=C1CC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)CO2	REAL300003859333	1	38	-2.0	-110.98	335.30	4.84	-106.14
CC(C)[C@@H]1C[C@H](CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C2=CC=CC=C21	REAL300003859334	1	45	-2.0	-110.06	371.84	9.01	-101.05
O=C([O-])CC1=CSC([N-]C(=O)C2=NN(C3=CC=C(F)C=C3)C(=O)CC2)=N1	REAL300003859340	1	37	-2.0	-106.71	348.04	5.63	-101.08
CC1=CC=C(N2N=C(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)CCC2=O)C=C1	REAL300003859341	1	40	-2.0	-110.88	363.03	6.25	-104.63
CC1=C(C)OC(CCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=N1	REAL300003859342	1	34	-2.0	-110.09	315.54	2.54	-107.55
O=C([O-])CC1=CSC([N-]C(=O)C2=C3CCCC3=NNC2=O)=N1	REAL300003859346	1	32	-2.0	-125.52	294.41	2.88	-122.64
O=C([O-])CC1=CSC([N-]C(=O)C[C@@H]2CCC[C@H](C3CC3)O2)=N1	REAL300003859348	1	40	-2.0	-112.78	340.87	6.93	-105.85
O=C([O-])CC1=CSC([N-]C(=O)C(CC2CCCCC2)C2=CC=CC=C2)=N1	REAL300003859349	1	48	-2.0	-110.00	393.97	9.97	-100.03
CC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C(C)C1=CC=CC=C1Cl	REAL300003859350	1	38	-2.0	-108.91	342.45	7.78	-101.13
CC(C)(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)[C@@H]1CCC[C@H](C(F)(F)F)N1	REAL300003859353	1	43	-2.0	-104.94	361.25	4.83	-100.11
CC1(C)CC(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC(C)(C)O1	REAL300003859354	1	42	-2.0	-107.30	344.15	5.44	-101.86
O=C([O-])CC1=CSC([N-]C(=O)C23OC4C5COCC4C2C53)=N1	REAL300003859355	1	34	-2.0	-118.01	299.60	2.70	-115.31
O=C([O-])CC1=CSC([N-]C(=O)C2(C3CCCO3)CCOCC2)=N1	REAL300003859356	1	41	-2.0	-108.89	327.81	6.09	-102.80
O=C([O-])CC1=CSC([N-]C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C2=CC=CC=C2)=N1	REAL300003859357	1	43	-2.0	-110.12	349.17	8.72	-101.40
O=C([O-])CC1=CSC([N-]C(=O)CC2=CC(O)=CC(Br)=C2)=N1	REAL300003859358	1	30	-2.0	-107.05	308.42	3.38	-103.67
O=C([O-])CC1=CSC([N-]C(=O)CCCCC2=CC=CC(O)=C2)=N1	REAL300003859359	1	39	-2.0	-109.12	351.51	5.14	-103.98
CC12CC(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)(C1)C(C)(C)O2	REAL300003859362	1	37	-2.0	-105.71	314.01	4.18	-101.53
CC(C)(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CN=CN=C1	REAL300003859363	1	33	-2.0	-105.92	298.82	4.52	-101.40
O=C([O-])CC1=CSC([N-]C(=O)C2(C3CCCO3)CCCC2)=N1	REAL300003859364	1	40	-2.0	-108.15	328.51	5.47	-102.68
CC(CC1=CC=C(C(C)(C)C)C=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003859366	1	47	-2.0	-108.01	390.07	9.23	-98.78
O=C([O-])CC1=CSC([N-]C(=O)CC2=CC3=CC=CC=C3N=C2)=N1	REAL300003859374	1	34	-2.0	-110.40	317.28	5.97	-104.43
CC(C)(C)C1=NN(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)N=N1	REAL300003859376	1	36	-2.0	-107.11	330.15	3.26	-103.85
O=C([O-])CC1=CSC([N-]C(=O)C2C3CC2(C2=CC=C(F)C=C2)CC3)=N1	REAL300003859381	1	40	-2.0	-111.38	348.26	8.48	-102.90
O=C([O-])CC1=CSC([N-]C(=O)C2=CC(=O)NC(C3=CC=CC=C3)=C2)=N1	REAL300003859386	1	36	-2.0	-110.81	333.12	5.55	-105.26
O=C([O-])CC1=CSC([N-]C(=O)C2CC3C=CCC(C3)C2)=N1	REAL300003859394	1	37	-2.0	-111.08	283.53	6.59	-104.49
CN1C=CN=C1[C@@H]1OCC[C@H]1C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003859397	1	37	-2.0	-108.87	329.99	3.93	-104.94
COC1=CC=C(C(C)C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1F	REAL300003859400	1	36	-2.0	-110.02	328.72	5.54	-104.48
COC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1CC(F)(F)C1	REAL300003859401	1	33	-2.0	-105.22	310.23	4.97	-100.25
O=C([O-])CC1=CSC([N-]C(=O)COC2CCCOC2)=N1	REAL300003859402	1	34	-2.0	-107.65	303.65	3.15	-104.50
O=C([O-])CC1=CSC([N-]C(=O)COCC2=NC(C3CC3)=NO2)=N1	REAL300003859404	1	35	-2.0	-111.01	333.53	3.02	-107.99
CN1CCC2=CC(CC(=O)[N-]C3=NC(CC(=O)[O-])=CS3)=CC=C21	REAL300003859405	1	38	-2.0	-109.60	336.86	5.46	-104.14
CC(C)(C)C1(C)CC(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C1	REAL300003859406	1	41	-2.0	-109.55	329.75	6.40	-103.15
CC1=CC(CCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=NN1C	REAL300003859407	1	35	-2.0	-113.83	319.80	4.58	-109.25
O=C([O-])CC1=CSC([N-]C(=O)C(O)C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300003859410	1	33	-2.0	-102.30	322.76	4.59	-97.71
O=C([O-])CC1=CSC([N-]C(=O)C(O)C2=CC=CC=C2C(F)(F)F)=N1	REAL300003859411	1	33	-2.0	-108.74	310.56	5.37	-103.37
O=C([O-])CC1=CSC([N-]C(=O)C(O)C2=CC=C(Cl)C(Cl)=C2)=N1	REAL300003859412	1	30	-2.0	-100.90	315.93	4.56	-96.34
O=C([O-])CC1=CSC([N-]C(=O)C(O)C2CCCCCC2)=N1	REAL300003859415	1	39	-2.0	-107.51	317.20	4.24	-103.27
O=C([O-])CC1=CSC([N-]C(=O)C(O)C2=CC(F)=CC(F)=C2)=N1	REAL300003859417	1	30	-2.0	-101.86	297.02	3.70	-98.16
O=C([O-])CC1=CSC([N-]C(=O)CC(C2=CC=CC=C2)C(F)F)=N1	REAL300003859418	1	35	-2.0	-104.24	319.90	6.98	-97.26
CC1=NN=C(CCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)N1C	REAL300003859422	1	34	-2.0	-113.04	312.90	5.26	-107.78
O=C([O-])CC1=CSC([N-]C(=O)C2CCC3=NN=NN3C2)=N1	REAL300003859423	1	31	-2.0	-101.56	286.16	2.67	-98.89
O=C([O-])CC1=CSC([N-]C(=O)C2(C3=CC(Cl)=CC=C3F)CCC2)=N1	REAL300003859426	1	36	-2.0	-112.23	332.26	8.18	-104.05
O=C([O-])CC1=CSC([N-]C(=O)C2(C3=CC(F)=CC=C3F)CCC2)=N1	REAL300003859427	1	36	-2.0	-115.02	321.93	7.74	-107.28
O=C([O-])CC1=CSC([N-]C(=O)CN2N=NN=C2C2CC2)=N1	REAL300003859428	1	31	-2.0	-105.49	297.85	3.52	-101.97
O=C([O-])CC1=CSC([N-]C(=O)CC2(N3C=NN=N3)CCSCC2)=N1	REAL300003859429	1	38	-2.0	-113.24	329.85	5.47	-107.77
CC1=CC=C(C(=O)C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300003859435	0	31	-2.0	-112.65	294.04	5.44	-107.21
O=C([O-])CC1=CSC([N-]C(=O)C(=O)C2=CC=C(Cl)C=C2)=N1	REAL300003859436	0	28	-2.0	-107.07	289.37	5.28	-101.79
CCC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1CCOCC1	REAL300003859438	1	39	-2.0	-109.95	316.75	4.67	-105.28
CC(C)(C)OC1CC(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C12CCC2	REAL300003859439	1	49	-2.0	-111.71	400.10	7.60	-104.11
CC1(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CCS(=O)(=O)CC1	REAL300003859444	1	35	-2.0	-110.86	307.91	1.59	-109.27
O=C([O-])CC1=CSC([N-]C(=O)C(F)CC2CCCC2)=N1	REAL300003859448	1	35	-2.0	-105.23	306.04	5.98	-99.25
CC1(C)CC(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C1C(F)(F)F	REAL300003859449	1	35	-2.0	-110.82	302.90	6.55	-104.27
O=C([O-])CC1=CSC([N-]C(=O)C2(CC3=CC=C(F)C=C3)CCCC2)=N1	REAL300003859450	1	42	-2.0	-115.98	356.60	9.95	-106.03
O=C([O-])CC1=CSC([N-]C(=O)C23CCCC2CC(=O)CC3)=N1	REAL300003859451	1	38	-2.0	-106.24	310.22	6.70	-99.54
O=C([O-])CC1=CSC([N-]C(=O)C2(CC3=CC=C(F)C=C3)CCCCO2)=N1	REAL300003859452	1	43	-2.0	-110.72	365.62	7.92	-102.80
C[C@@H](CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=C(C(F)(F)F)C=C1	REAL300003859453	1	38	-2.0	-104.48	349.67	7.87	-96.61
C[C@@H](CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=C2OCOC2=C1	REAL300003859454	1	38	-2.0	-107.16	336.97	5.51	-101.65
O=C([O-])CC1=CSC([N-]C(=O)C2(C(F)(F)F)CCCCO2)=N1	REAL300003859455	1	33	-2.0	-107.50	300.91	3.99	-103.51
O=C([O-])CC1=CSC([N-]C(=O)[C@@H]2CCO[C@H]2C2=CC=C(F)C=C2)=N1	REAL300003859456	1	37	-2.0	-105.76	335.87	5.87	-99.89
O=C([O-])CC1=CSC([N-]C(=O)CC2CCCC3(CCC3)O2)=N1	REAL300003859459	1	40	-2.0	-113.94	334.97	6.30	-107.64
COC1C[C@@H]2CC(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)C[C@H]12	REAL300003859460	1	37	-2.0	-108.08	317.63	4.62	-103.46
O=C([O-])CC1=CSC([N-]C(=O)CC2COCCN2CC(F)(F)F)=N1	REAL300003859461	1	38	-2.0	-104.06	334.62	2.19	-101.87
O=C([O-])CC1=CSC([N-]C(=O)CSC2=CC=CC=C2Br)=N1	REAL300003859462	1	30	-2.0	-107.91	313.82	6.64	-101.27
O=C([O-])CC1=CSC([N-]C(=O)[C@H]2CCC3=CC=CC=C32)=N1	REAL300003859463	1	33	-2.0	-112.95	295.68	7.08	-105.87
CC1(C)C2CCC1(CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1)CC2	REAL300003859464	1	42	-2.0	-109.65	330.62	6.95	-102.70
O=C([O-])CC1=CSC([N-]C(=O)CN2C=C(C3CCOC3)C=N2)=N1	REAL300003859465	1	37	-2.0	-110.14	333.27	3.75	-106.39
O=C([O-])CC1=CSC([N-]C(=O)C2CCC3(CCC3)CC2)=N1	REAL300003859468	1	39	-2.0	-108.76	322.10	6.84	-101.92
O=C([O-])CC1=CSC([N-]C(=O)CCC2=CC=C(OCC3=CC=CC=C3)C=C2)=N1	REAL300003859473	1	46	-2.0	-108.86	408.76	9.71	-99.15
CC1=NC=C2CC(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)CCC2=N1	REAL300003859480	1	37	-2.0	-105.72	327.89	5.25	-100.47
CC1=C(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C(C(F)(F)F)=CO1	REAL300003859481	1	32	-2.0	-110.70	316.79	5.39	-105.31
O=C([O-])CC1=CSC([N-]C(=O)[C@@H]2OCCC[C@@H]2C2=CC=CC=C2)=N1	REAL300003859484	1	40	-2.0	-107.90	332.66	8.01	-99.89
O=C([O-])CC1=CSC([N-]C(=O)[C@@H]2OCCC[C@H]2C2=CC=CC=C2)=N1	REAL300003859485	1	40	-2.0	-110.48	343.91	7.82	-102.66
CC1(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CCCNS1(=O)=O	REAL300003859486	1	34	-2.0	-114.15	305.53	0.22	-113.93
CCC1=NC=C2CC(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)CCC2=N1	REAL300003859487	1	40	-2.0	-105.81	349.37	5.85	-99.96
O=C([O-])CC1=CSC([N-]C(=O)CCC2=CC=C(Br)S2)=N1	REAL300003859488	1	29	-2.0	-104.04	309.40	6.25	-97.79
COCCC(C)(C)CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003859489	1	38	-2.0	-105.99	317.18	4.07	-101.92
CC(C)(CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C(C)(F)F	REAL300003859490	1	34	-2.0	-106.78	293.03	5.08	-101.70
O=C([O-])CC1=CSC([N-]C(=O)CCC=CBr)=N1	REAL300003859492	1	26	-2.0	-103.46	271.87	4.68	-98.78
CN1C=CC(C23CC(CC2)C3C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=N1	REAL300003859493	1	40	-2.0	-119.47	347.61	6.14	-113.33
CC1=CC(F)=CC(C(C)C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1	REAL300003859494	1	35	-2.0	-109.62	320.85	6.90	-102.72
O=C([O-])CC1=CSC([N-]C(=O)CC(C2=CC=CC=C2F)C(F)F)=N1	REAL300003859496	1	35	-2.0	-106.40	324.86	7.03	-99.37
O=C([O-])CC1=CSC([N-]C(=O)C2CCCC3=CC=NN32)=N1	REAL300003859497	1	33	-2.0	-118.98	296.44	4.58	-114.40
O=C([O-])CC1=CSC([N-]C(=O)COC2=CC=CC=C2C(F)F)=N1	REAL300003859501	1	33	-2.0	-111.27	314.98	6.41	-104.86
O=C([O-])CC1=CSC([N-]C(=O)C2CC3CC2C2C3C2(F)F)=N1	REAL300003859506	1	34	-2.0	-107.36	299.23	6.22	-101.14
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O=C([O-])CC1=CSC([N-]C(=O)C2CCC3(CC2)COCCO3)=N1	REAL300003859508	1	41	-2.0	-110.80	337.03	4.23	-106.57
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CC12CC(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)(C1)C1(CCC1)O2	REAL300003859514	1	38	-2.0	-106.36	323.77	4.97	-101.39
CC12CC(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)(C1)C1(CCOCC1)O2	REAL300003859515	1	42	-2.0	-108.41	345.08	3.65	-104.76
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COC1=CC=C(C23CC(CC2)C3C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300003859519	1	44	-2.0	-113.49	371.34	7.71	-105.78
O=C([O-])CC1=CSC([N-]C(=O)C2(C3CCOCC3)CCOCC2)=N1	REAL300003859520	1	44	-2.0	-107.75	337.72	5.42	-102.33
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CC1=CC=C2C(=C1)C=CN2CCC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003859547	1	39	-2.0	-107.66	351.68	8.29	-99.37
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C[C@H](C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=C2OCOC2=C1	REAL300003859559	1	35	-2.0	-106.70	319.06	4.82	-101.88
CS(=O)(=O)N1CCC(OCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC1	REAL300003859560	1	41	-2.0	-112.23	367.40	1.97	-110.26
CC(CC1=CC=C(F)C(F)=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003859562	1	35	-2.0	-106.06	326.62	7.02	-99.04
O=C([O-])CC1=CSC([N-]C(=O)CCC2=CSC(Br)=C2)=N1	REAL300003859565	1	29	-2.0	-104.62	309.15	6.08	-98.54
CC(C)(C)O[C@H]1C[C@@H](C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C1	REAL300003859568	1	39	-2.0	-110.76	333.43	5.04	-105.72
CC1=CC(CC2(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)CC2)=CC=C1F	REAL300003859574	1	39	-2.0	-111.84	349.68	9.26	-102.58
CC1=CC(F)=CC=C1CC1(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC1	REAL300003859575	1	39	-2.0	-112.57	335.45	9.72	-102.85
O=C([O-])CC1=CSC([N-]C(=O)[C@@H]2CCC[C@@H]2C2=CC=C(F)C=C2)=N1	REAL300003859576	1	39	-2.0	-109.98	336.17	7.78	-102.20
CC12CC3(C)CC(O)(C1)CC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)(C2)C3	REAL300003859577	1	47	-2.0	-113.36	369.35	4.50	-108.86
NS(=O)(=O)C1CCC(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC1	REAL300003859583	1	37	-2.0	-113.59	331.57	0.15	-113.44
CSC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=CC(Cl)=C1	REAL300003859587	1	33	-2.0	-108.83	332.63	7.12	-101.71
C[C@@H](CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=CC(OC(F)(F)F)=C1	REAL300003859591	1	39	-2.0	-105.01	356.91	6.64	-98.37
O=C([O-])CC1=CSC([N-]C(=O)[C@H]2C[C@H](N3C=CN=N3)C2)=N1	REAL300003859592	1	32	-2.0	-105.02	293.64	3.25	-101.77
CCCC1=CC=C(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300003859593	1	38	-2.0	-108.09	340.48	7.84	-100.25
CC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C(C)C1=CC=C(F)C=C1	REAL300003859595	1	38	-2.0	-106.40	334.12	7.35	-99.05
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CC1(C)CC(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC(C)(C)O1	REAL300003859610	1	45	-2.0	-106.85	361.90	6.16	-100.69
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CC(C)(C)N1CCCC(C)(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)S1(=O)=O	REAL300003859632	1	46	-2.0	-109.48	371.09	4.06	-105.42
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CC1=CC=C(C=CCC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300003859655	1	36	-2.0	-108.95	328.54	7.61	-101.34
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CC(C)(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=C(F)C(F)=C1	REAL300003859674	1	35	-2.0	-103.08	321.41	6.70	-96.38
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COCC1(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC=CCC1	REAL300003859679	1	37	-2.0	-111.81	319.15	4.58	-107.23
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CC1=CC=C(C2CCCCC2C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=C1	REAL300003859684	1	45	-2.0	-110.02	372.86	9.20	-100.82
CCC1(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CCCC2=CC=CC=C21	REAL300003859685	1	42	-2.0	-112.32	343.78	8.36	-103.96
CC1=CC=C(C)C(OCCCC(C)(C)C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1	REAL300003859686	1	51	-2.0	-109.66	423.61	9.15	-100.51
CC(CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=C(OC(F)(F)F)C=C1	REAL300003859687	1	39	-2.0	-104.81	356.92	6.65	-98.16
CCC(C)C1=CC=C(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C(=O)N1	REAL300003859688	1	38	-2.0	-131.48	335.50	5.12	-126.36
CC1=CC(C(C)(C)C)=CC=C1OC(C)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003859689	1	48	-2.0	-109.80	398.91	9.07	-100.73
CC1=CC(Cl)=CC=C1O[C@@H](C)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003859690	1	36	-2.0	-106.17	339.45	7.25	-98.92
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CC1=CC=C(OC(C)C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C(C)=C1	REAL300003859692	1	39	-2.0	-110.15	344.15	7.41	-102.74
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CC(C)CC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=CC=C1	REAL300003859695	1	41	-2.0	-110.81	351.30	8.11	-102.70
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C=CCCC(CC(C)C)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003859700	1	41	-2.0	-107.57	344.02	8.07	-99.50
CC(C)COC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C(C)C	REAL300003859703	1	41	-2.0	-108.84	346.42	7.10	-101.74
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CCCC(OC1=CC=C(Cl)C=C1C)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003859707	1	42	-2.0	-107.07	376.29	8.57	-98.50
CC(C)CC(CC1=CC=CC=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003859708	1	44	-2.0	-108.11	368.31	9.72	-98.39
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C[C@@H](C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=C(F)C=C1	REAL300003859717	1	32	-2.0	-104.86	299.41	6.23	-98.63
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CCC(CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1)CC(F)(F)F	REAL300003859719	1	34	-2.0	-105.53	301.37	5.46	-100.07
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CC1(C)CCCC(CC(=O)[N-]C2=NC(CC(=O)[O-])=CS2)O1	REAL300003859746	1	39	-2.0	-111.73	324.95	5.62	-106.11
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COC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)C1=CC=CN=C1	REAL300003859750	1	32	-2.0	-108.15	303.33	3.87	-104.28
CCSC1CCC(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC1	REAL300003859751	1	39	-2.0	-110.35	334.70	6.97	-103.38
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CCCC(CCC1=CC=CC=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003859848	1	44	-2.0	-111.51	375.08	9.24	-102.27
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CC(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)N1C=CC(C2CC2)=N1	REAL300003859991	1	36	-2.0	-105.14	325.41	5.50	-99.64
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CN1C=C(C(F)(F)C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=N1	REAL300003860000	0	29	-2.0	-108.88	290.75	3.56	-105.32
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CC(C)CN1C=C([C@@H]2C[C@H]2C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C=N1	REAL300003860007	1	42	-2.0	-111.38	371.32	7.19	-104.19
O=C([O-])CC1=CSC([N-]C(=O)C2CC3CCCCCCC32)=N1	REAL300003860008	1	42	-2.0	-109.69	327.56	7.13	-102.56
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CC1CC(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CCS1	REAL300003860011	1	33	-2.0	-104.67	298.46	5.66	-99.01
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CC(C)(C(=O)[N-]C1=NC(CC(=O)[O-])=CS1)N1C=CC(C2CC2)=N1	REAL300003860015	1	39	-2.0	-108.14	346.45	6.20	-101.94
CCCCC[C@@H](O)CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003860016	1	38	-2.0	-108.41	332.74	4.05	-104.36
O=C([O-])CC1=CSC([N-]C(=O)CC2CCS(=O)(=O)CC2)=N1	REAL300003860017	1	35	-2.0	-110.89	314.59	1.92	-108.97
COC12CCC(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)(CC1)C2	REAL300003860019	1	37	-2.0	-109.05	315.90	4.24	-104.81
O=C([O-])CC1=CSC([N-]C(=O)C23CC4CC(CC(C4)O2)C3)=N1	REAL300003860020	1	38	-2.0	-117.20	310.51	4.87	-112.33
O=C([O-])CC1=CSC([N-]C(=O)C2(C3=CC=CS3)CCOCC2)=N1	REAL300003860021	1	37	-2.0	-106.90	328.33	5.55	-101.35
O=C([O-])CC1=CSC([N-]C(=O)C2CCC3=C(C2)C(C(F)(F)F)=NN3)=N1	REAL300003860022	1	36	-2.0	-107.62	333.39	4.59	-103.03
CC1=CC=C(C(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C2CC2)C=C1	REAL300003860024	1	39	-2.0	-109.62	342.43	8.94	-100.68
CC1=CC(F)=CC=C1C1(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC1	REAL300003860026	1	36	-2.0	-107.83	326.97	7.29	-100.54
CC1=CC=C(F)C=C1C1(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC1	REAL300003860027	1	36	-2.0	-109.61	328.33	7.31	-102.30
O=C([O-])CC1=CSC([N-]C(=O)C2(C3=CC=C([N+](=O)[O-])C=C3)CC2)=N1	REAL300003860028	1	35	-2.0	-109.28	325.41	8.45	-100.83
CC1CC(C)(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC(C)O1	REAL300003860032	1	39	-2.0	-108.43	325.49	4.73	-103.70
O=C([O-])CC1=CSC([N-]C(=O)C2(C3=CC=C(Cl)C=C3)CC(F)(F)C2)=N1	REAL300003860033	1	36	-2.0	-107.61	340.90	8.63	-98.98
O=C([O-])CC1=CSC([N-]C(=O)[C@]23COC[C@H]2C3(F)F)=N1	REAL300003860035	1	28	-2.0	-107.43	273.89	2.73	-104.70
CC1=CC=C(F)C=C1C(F)(F)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003860036	0	32	-2.0	-107.13	306.64	6.20	-100.93
CCC1=CC=CC=C1C(F)(F)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003860037	0	35	-2.0	-112.16	317.53	6.70	-105.46
O=C([O-])CC1=CSC([N-]C(=O)CC(C2=CC=CC=C2)N2C=NN=N2)=N1	REAL300003860038	1	37	-2.0	-108.97	339.70	5.90	-103.07
O=C([O-])CC1=CSC([N-]C(=O)CC2=C3NC=CC=C3N=C2)=N1	REAL300003860039	1	32	-2.0	-124.45	302.46	3.80	-120.65
COC1=C2NC=C(CC(=O)[N-]C3=NC(CC(=O)[O-])=CS3)C2=CC=C1	REAL300003860040	1	37	-2.0	-113.09	337.53	4.96	-108.13
O=C([O-])CC1=CSC([N-]C(=O)C2=C3CCCCC3=NNC2=O)=N1	REAL300003860051	1	35	-2.0	-124.20	309.02	3.49	-120.71
CC1=CN2CC(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)CCC2=N1	REAL300003860056	1	36	-2.0	-103.78	318.77	5.65	-98.13
O=C([O-])CC1=CSC([N-]C(=O)C23CC(C(F)(F)F)(C2)CO3)=N1	REAL300003860068	1	31	-2.0	-106.30	301.45	3.44	-102.86
CC1=C(F)C=CC=C1C1(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC1	REAL300003860074	1	36	-2.0	-110.50	325.78	7.25	-103.25
O=C([O-])CC1=CSC([N-]C(=O)C2(C3=CC=CS3)CCCC2)=N1	REAL300003860075	1	36	-2.0	-110.27	322.53	7.34	-102.93
O=C([O-])CC1=CSC([N-]C(=O)C(C2=CC=CS2)C2CCCCC2)=N1	REAL300003860076	1	42	-2.0	-109.21	363.68	8.48	-100.73
O=C([O-])CC1=CSC([N-]C(=O)CCC(=O)C2=CC=C3CCCCC3=C2)=N1	REAL300003860077	1	44	-2.0	-110.51	380.44	8.74	-101.77
C=C(C)[C@@H]1OCCC[C@H]1C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003860078	1	37	-2.0	-106.47	319.02	4.72	-101.75
O=C([O-])CC1=CSC([N-]C(=O)CC2=CC(Cl)=CC(Br)=C2)=N1	REAL300003860081	1	29	-2.0	-103.13	314.12	6.73	-96.40
CN1N=C(C(F)(F)F)C=C1CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003860083	1	32	-2.0	-103.05	317.73	4.12	-98.93
CCC1=CN2CCC(C(=O)[N-]C3=NC(CC(=O)[O-])=CS3)CC2=N1	REAL300003860084	1	39	-2.0	-111.72	340.19	6.43	-105.29
O=C([O-])CC1=CSC([N-]C(=O)CC2CCCC3CCCCC23)=N1	REAL300003860085	1	45	-2.0	-109.19	346.86	7.83	-101.36
CC1(C)[C@H](C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)[C@@H]1C(F)F	REAL300003860089	1	32	-2.0	-109.74	285.66	5.50	-104.24
CC(CC1=CC=NC=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003860094	1	34	-2.0	-106.38	308.84	5.14	-101.24
O=C([O-])CC1=CSC([N-]C(=O)C2CCCN3C=NN=C23)=N1	REAL300003860096	1	32	-2.0	-127.63	290.54	5.80	-121.83
CC1=CC=CC(C(O)C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1	REAL300003860097	1	33	-2.0	-106.74	305.40	4.25	-102.49
O=C([O-])CC1=CSC([N-]C(=O)C2(CC3=CC=C(O)C=C3)CC2)=N1	REAL300003860098	1	37	-2.0	-113.54	329.95	6.32	-107.22
O=C([O-])CC1=CSC([N-]C(=O)C(O)CC2=CC=CC=C2)=N1	REAL300003860104	1	33	-2.0	-106.50	307.78	4.24	-102.26
CC1CCCC(O)(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC1	REAL300003860107	1	39	-2.0	-106.42	314.10	3.72	-102.70
CC(C)(C)C1CCC(C(O)C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)CC1	REAL300003860108	1	48	-2.0	-106.75	366.09	6.36	-100.39
O=C([O-])CC1=CSC([N-]C(=O)CCC(=O)C2=CC=C(Cl)C=C2)=N1	REAL300003860109	1	34	-2.0	-107.25	334.44	6.77	-100.48
CCC1=NNC(CC)=C1CC(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003860113	1	38	-2.0	-108.85	336.76	4.57	-104.28
O=C([O-])CC1=CSC([N-]C(=O)[C@@H](O)CC2=CC3=CC=CC=C3C=C2)=N1	REAL300003860115	1	39	-2.0	-109.03	353.86	6.49	-102.54
O=C([O-])CC1=CSC([N-]C(=O)[C@@H]2C[C@H]2C2=CC=C(Cl)C=C2)=N1	REAL300003860116	1	33	-2.0	-107.63	320.74	7.49	-100.14
O=C([O-])CC1=CSC([N-]C(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)=N1	REAL300003860118	1	33	-2.0	-110.35	304.01	6.97	-103.38
O=C([O-])CC1=CSC([N-]C(=O)[C@@H]2C[C@H]2C2=CC=CC(Br)=C2)=N1	REAL300003860120	1	33	-2.0	-108.18	325.30	7.59	-100.59
O=C([O-])CC1=CSC([N-]C(=O)C2CCC3=NN=CN3C2)=N1	REAL300003860121	1	32	-2.0	-102.09	291.37	5.75	-96.34
O=C([O-])CC1=CSC([N-]C(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)=N1	REAL300003860122	1	33	-2.0	-110.35	304.01	6.97	-103.38
O=C([O-])CC1=CSC([N-]C(=O)[C@H]2C[C@@H]2C2=CC=CC=C2)=N1	REAL300003860125	1	33	-2.0	-110.05	304.02	6.97	-103.08
CC1C(C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)C1C1=CC=CC=C1	REAL300003860126	1	36	-2.0	-110.47	321.47	7.50	-102.97
O=C([O-])CC1=CSC([N-]C(=O)[C@@H]2C[C@H]2C2=CC=C(OC(F)(F)F)C=C2)=N1	REAL300003860127	1	37	-2.0	-107.17	350.00	6.77	-100.40
CCC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)[N-]C1=NC(CC(=O)[O-])=CS1	REAL300003860128	1	39	-2.0	-111.13	341.46	8.19	-102.94
O=C([O-])CC1=CSC([N-]C(=O)[C@@H]2C[C@H]2C2=CC=CC=C2F)=N1	REAL300003860130	1	33	-2.0	-114.51	309.53	7.00	-107.51
O=C([O-])CC1=CSC([N-]C(=O)[C@@H]2C[C@H]2C2=CC=CC(O)=C2)=N1	REAL300003860131	1	34	-2.0	-111.14	315.02	4.12	-107.02
O=C([O-])CC1=CSC([N-]C(=O)C23CC(C2)CN3C2CC2)=N1	REAL300003860132	1	36	-2.0	-112.19	308.29	4.11	-108.08
O=C([O-])CC1=CSC([N-]C(=O)[C@H]2C[C@H](N3C=NN=C3)C2)=N1	REAL300003860133	1	32	-2.0	-110.30	293.08	6.52	-103.78
COC1=CC=CC([C@@H]2C[C@H]2C(=O)[N-]C2=NC(CC(=O)[O-])=CS2)=C1	REAL300003860134	1	37	-2.0	-112.96	333.50	6.27	-106.69
O=C([O-])CC1=CSC([N-]C(=O)[C@@H]2C[C@H]2C2=CC=C(Cl)C(Cl)=C2)=N1	REAL300003860135	1	33	-2.0	-106.22	335.93	7.94	-98.28
O=C([O-])CC1=CSC([N-]C(=O)[C@@H]2C[C@H]2C2=CC=C(Br)C=C2)=N1	REAL300003860136	1	33	-2.0	-107.50	325.30	7.60	-99.90
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C(Cl)C=C3)CCCC2)S1	REAL300003863009	1	45	-2.0	-128.09	388.30	10.35	-117.74
CC1=CC(Cl)=CC=C1OCC(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003863015	1	39	-2.0	-122.04	362.42	8.31	-113.73
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=CC=C2)S1	REAL300003863016	1	39	-2.0	-127.06	343.45	7.70	-119.36
COC1=CC=C(OCC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C=C1	REAL300003863018	1	40	-2.0	-125.27	355.10	6.37	-118.90
CC1=CC=CC(OCC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=C1	REAL300003863019	1	39	-2.0	-126.93	347.03	7.76	-119.17
COC1=CC=CC=C1OCC(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003863020	1	40	-2.0	-132.77	354.77	6.85	-125.92
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=C(C#N)C=C2)S1	REAL300003863021	1	37	-2.0	-121.53	346.42	7.49	-114.04
CCOC1=CC=CC=C1OCC(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003863022	1	43	-2.0	-133.67	376.72	7.76	-125.91
CC1=CC(OCC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=CC=C1Cl	REAL300003863023	1	39	-2.0	-122.27	361.07	8.19	-114.08
CC1=CC=C(OCC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C=C1	REAL300003863032	1	39	-2.0	-126.28	347.01	7.76	-118.52
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=C(F)C=C2)S1	REAL300003863042	1	36	-2.0	-121.47	332.01	7.15	-114.32
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2COC3=CC=CC=C3C2)S1	REAL300003863053	1	40	-2.0	-121.02	347.47	7.12	-113.90
COC1=CC(C#N)=CC=C1OCC(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003863055	1	41	-2.0	-127.00	375.56	7.25	-119.75
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2=NN(C)C(=O)C3=CC=CC=C32)S1	REAL300003863057	1	40	-2.0	-121.14	357.54	6.00	-115.14
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=CC(Br)=C2)S1	REAL300003863074	1	36	-2.0	-124.48	346.90	7.71	-116.77
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=C(Cl)C=C2)S1	REAL300003863077	1	36	-2.0	-121.69	342.33	7.60	-114.09
CC1=CC=CC=C1OCC(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003863079	1	39	-2.0	-126.75	345.60	7.81	-118.94
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=CC=C2Cl)S1	REAL300003863080	1	36	-2.0	-128.12	341.56	7.63	-120.49
CC1=CC(C)=CC(OCC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=C1	REAL300003863081	1	42	-2.0	-127.42	368.43	8.42	-119.00
CC1=CC=C(Cl)C(OCC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=C1	REAL300003863082	1	39	-2.0	-128.16	363.06	8.29	-119.87
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=C3CCCC3=C2)S1	REAL300003863083	1	43	-2.0	-127.76	371.15	9.00	-118.76
CCCOC1=CC=C(OCC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C=C1	REAL300003863084	1	46	-2.0	-124.61	398.45	8.09	-116.52
CCOC1=CC=C(OCC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C=C1	REAL300003863085	1	43	-2.0	-125.06	376.97	7.30	-117.76
CC1=CC=C(OC(C)C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C=C1	REAL300003863086	1	42	-2.0	-127.43	365.04	8.42	-119.01
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=C(F)C=C2)S1	REAL300003863088	1	39	-2.0	-122.52	350.05	7.80	-114.72
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC=C3)CCOCC2)S1	REAL300003863092	1	46	-2.0	-123.08	374.21	8.08	-115.00
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C(F)C=C3)CCOCC2)S1	REAL300003863093	1	46	-2.0	-119.44	380.61	8.17	-111.27
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC(F)=C3)CCOCC2)S1	REAL300003863094	1	46	-2.0	-120.14	380.61	8.17	-111.97
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C)CCOCC2)S1	REAL300003863095	1	39	-2.0	-121.93	323.68	4.83	-117.10
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C#N)CCOCC2)S1	REAL300003863096	1	37	-2.0	-115.82	325.90	4.30	-111.52
CC(C)COC(C)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003863097	1	41	-2.0	-125.78	353.07	6.71	-119.07
CC1=CC(=O)C(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=NN1C1=CC=CC=C1	REAL300003863099	1	44	-2.0	-150.71	388.86	9.15	-141.56
C=CCC1=CC=C(OCC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C(OC)=C1	REAL300003863102	1	47	-2.0	-132.16	410.47	8.84	-123.32
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2=NOC(C3=CC=CC=C3)C2)S1	REAL300003863105	1	40	-2.0	-119.31	361.00	6.85	-112.46
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)N2C=CC=N2)S1	REAL300003863107	1	35	-2.0	-117.36	314.30	5.03	-112.33
CC1=CC=C(C2=NC(CC(=O)[N-]C3=NC(C(=O)[O-])=C(C(C)C)S3)=CS2)O1	REAL300003863113	1	41	-2.0	-137.01	384.79	7.08	-129.93
CC1=NC(CC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=CS1	REAL300003863119	1	34	-2.0	-127.15	322.06	5.12	-122.03
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CC2=CSC(C3=NC=CC=N3)=N2)S1	REAL300003863121	1	39	-2.0	-138.99	372.08	5.56	-133.43
CCC1=NC(CC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=CS1	REAL300003863126	1	37	-2.0	-128.62	343.54	5.87	-122.75
CC1=NN(C)C(C)=C1C(=O)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003863134	0	40	-2.0	-124.31	362.92	5.26	-119.05
CC1=CC=CC2=C1N=CN(CC(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)C2=O	REAL300003863135	1	43	-2.0	-130.85	382.52	8.59	-122.26
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN2C(=O)C(C)OC3=CC=CC=C32)S1	REAL300003863139	1	44	-2.0	-132.35	383.50	6.69	-125.66
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN(C)C(=O)C2=CC=CS2)S1	REAL300003863156	1	39	-2.0	-130.60	356.46	5.92	-124.68
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CSCC2=CC=CN=C2)S1	REAL300003863158	1	38	-2.0	-124.29	355.94	6.82	-117.47
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN2C=C(C(F)(F)F)C=CC2=O)S1	REAL300003863162	1	38	-2.0	-123.96	359.63	6.81	-117.15
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN2C=NC3=CC=CC=C3C2=O)S1	REAL300003863165	1	40	-2.0	-130.30	362.26	7.75	-122.55
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CSC2=NC3=CC=CC=C3S2)S1	REAL300003863167	1	38	-2.0	-123.96	370.42	7.38	-116.58
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN2CCCCCC2=O)S1	REAL300003863168	1	42	-2.0	-129.28	353.38	6.32	-122.96
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN2C(=O)COC3=CC=CC=C32)S1	REAL300003863169	1	41	-2.0	-131.79	363.20	6.00	-125.79
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN2CSCC2=O)S1	REAL300003863170	1	34	-2.0	-125.17	320.98	4.61	-120.56
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CC2=CSC(C3=CC=CN=C3)=N2)S1	REAL300003863178	1	40	-2.0	-134.82	375.40	6.43	-128.39
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN2C3=CC=CC=C3OCCC2=O)S1	REAL300003863181	1	44	-2.0	-137.51	382.40	6.72	-130.79
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CC2=CSC(C3=CSC=C3)=N2)S1	REAL300003863182	1	38	-2.0	-130.46	371.40	7.13	-123.33
CCN1N=C(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C2=CC=CC=C2C1=O	REAL300003863189	1	43	-2.0	-121.72	378.71	6.88	-114.84
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2=NN(C)C(=O)C=C2)S1	REAL300003863190	1	34	-2.0	-116.49	316.12	3.64	-112.85
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CC2=NOC3=CC=CC=C32)S1	REAL300003863194	1	37	-2.0	-127.42	340.06	6.58	-120.84
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2=NN(C)C(=O)CC2)S1	REAL300003863196	1	36	-2.0	-115.19	324.61	3.74	-111.45
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CC(=O)NC3=CC=CC=C32)S1	REAL300003863200	1	40	-2.0	-126.12	353.24	5.61	-120.51
CC1=CC=C(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C(=O)N1	REAL300003863203	1	35	-2.0	-143.27	318.49	4.67	-138.60
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2=CN(C)C(=O)C=C2)S1	REAL300003863206	1	35	-2.0	-116.88	319.11	5.51	-111.37
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2=CC(=O)N(C)C3=CC=CC=C23)S1	REAL300003863207	1	41	-2.0	-130.13	357.20	8.41	-121.72
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=CC(C#N)=C2)S1	REAL300003863210	1	40	-2.0	-126.35	364.17	8.09	-118.26
CCN1N=C(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C=CC1=O	REAL300003863217	1	37	-2.0	-116.76	337.13	4.55	-112.21
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2=NN(C3=CC=CC=C3)C(=O)CC2)S1	REAL300003863229	1	43	-2.0	-119.38	381.51	7.20	-112.18
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CSC2=CC=C3OCCOC3=C2)S1	REAL300003863233	1	42	-2.0	-123.81	379.72	6.85	-116.96
CC(=O)C1=CC=CC(OCC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=C1	REAL300003863234	1	41	-2.0	-136.66	366.10	7.48	-129.18
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN2C=CC(C(F)(F)F)=N2)S1	REAL300003863235	1	35	-2.0	-126.89	338.18	5.67	-121.22
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2OC3=CC=CC=C3OC2C)S1	REAL300003863238	1	41	-2.0	-126.24	355.59	8.16	-118.08
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN2C(=O)C3=CC=CC=C3C2=O)S1	REAL300003863251	1	39	-2.0	-135.33	361.90	6.43	-128.90
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CC2=COC(C3=CC=CC=C3)=N2)S1	REAL300003863261	1	41	-2.0	-134.76	372.45	5.85	-128.91
CCN1C(=O)N(CC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C2=CC=CC=C21	REAL300003863263	1	45	-2.0	-135.37	398.10	8.93	-126.44
C=C1C2=CC=CC=C2C(=O)N1CC(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003863266	1	41	-2.0	-135.07	371.41	7.87	-127.20
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN2C(=O)N(C)C3=CC=CC=C32)S1	REAL300003863271	1	42	-2.0	-134.47	376.29	7.98	-126.49
CC1=C(CC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)N=C(C2=CC=CS2)O1	REAL300003863273	1	41	-2.0	-130.93	385.52	5.36	-125.57
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=C3NC(=O)CCC3=C2)S1	REAL300003863274	1	44	-2.0	-125.26	385.46	6.26	-119.00
COC1=CC=CC(OCC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=C1	REAL300003863277	1	40	-2.0	-129.15	355.11	6.38	-122.77
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN(C)S(=O)(=O)C2=CC=CC=C2)S1	REAL300003863278	1	43	-2.0	-135.98	391.39	4.96	-131.02
COC1=CC=CC(SCC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=C1	REAL300003863279	1	40	-2.0	-124.28	364.69	7.00	-117.28
CC1=CN(CC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)N=C1	REAL300003863292	1	35	-2.0	-127.57	318.77	5.36	-122.21
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC(Cl)=CC=C2Cl)S1	REAL300003863300	1	36	-2.0	-123.99	358.38	8.14	-115.85
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCCN2S(C)(=O)=O)S1	REAL300003863307	1	43	-2.0	-125.70	362.58	3.97	-121.73
CC(=O)NC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)C1CCCC1	REAL300003863308	1	45	-2.0	-135.96	369.85	6.99	-128.97
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CC2=COC(C3=CC=CS3)=N2)S1	REAL300003863322	1	38	-2.0	-133.96	363.55	4.79	-129.17
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(NC(=O)C2=CC=CO2)C(C)C)S1	REAL300003863327	1	45	-2.0	-120.62	384.15	6.01	-114.61
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(O)CCCCC2)S1	REAL300003863347	1	39	-2.0	-122.32	326.60	3.87	-118.45
CC1=CC(C)=C(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C(=O)N1	REAL300003863349	1	38	-2.0	-143.44	334.89	5.36	-138.08
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)NC(=O)C2=CC=CS2)S1	REAL300003863355	1	39	-2.0	-119.12	363.75	4.92	-114.20
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2=CC3=C(CCCC3)NC2=O)S1	REAL300003863360	1	42	-2.0	-142.45	359.82	6.50	-135.95
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)OC2=CC=CC(Cl)=C2)S1	REAL300003863361	1	42	-2.0	-118.57	371.22	8.45	-110.12
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=C(F)C=C2Cl)S1	REAL300003863362	1	39	-2.0	-123.89	366.43	8.31	-115.58
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2=CNC(=O)C(Br)=C2)S1	REAL300003863363	1	32	-2.0	-113.66	319.45	4.27	-109.39
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC=C3F)CC2)S1	REAL300003863367	1	39	-2.0	-133.71	351.14	8.41	-125.30
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(SC3=CC=CC=C3)CCCC2)S1	REAL300003863374	1	46	-2.0	-126.37	389.78	9.89	-116.48
COC1=CC=CC=C1CC(C)(C)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003863376	1	48	-2.0	-129.05	394.58	8.44	-120.61
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CC3=CC(F)=CC=C3O2)S1	REAL300003863381	1	37	-2.0	-123.45	337.62	7.48	-115.97
CCC(OC1CCCC1)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003863382	1	45	-2.0	-126.45	376.96	8.15	-118.30
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2=NNC3=CC=CC=C3C2=O)S1	REAL300003863384	1	37	-2.0	-147.73	340.15	6.36	-141.37
CCN(CC)S(=O)(=O)CC(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003863388	1	42	-2.0	-132.82	373.49	3.29	-129.53
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COC2CCCC(C)C2)S1	REAL300003863390	1	45	-2.0	-128.06	371.91	7.90	-120.16
CC1=NOC(COCC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=N1	REAL300003863391	1	37	-2.0	-127.71	342.74	3.17	-124.54
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN2N=CN3N=CC=C3C2=O)S1	REAL300003863393	1	37	-2.0	-132.15	345.00	5.44	-126.71
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)S(C)(=O)=O)S1	REAL300003863394	1	37	-2.0	-143.82	331.43	2.41	-141.41
CCCC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)C1=CC=CC=C1	REAL300003863400	1	44	-2.0	-123.39	371.32	10.13	-113.26
CC1=CC(C)=C(OCC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C(C)=C1	REAL300003863404	1	45	-2.0	-128.31	388.81	9.21	-119.10
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CNC(=O)CC2=CC=CC=C2)S1	REAL300003863405	1	42	-2.0	-116.90	375.66	5.74	-111.16
CC1=CC(OCC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=CC=C1C(C)C	REAL300003863409	1	48	-2.0	-126.88	402.06	9.54	-117.34
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC=C3)CC2)S1	REAL300003863411	1	39	-2.0	-125.75	337.72	9.40	-116.35
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C(Cl)C=C3)CC2)S1	REAL300003863412	1	39	-2.0	-121.94	354.35	9.91	-112.03
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN2N=C3C=CC=CN3C2=O)S1	REAL300003863421	1	38	-2.0	-138.62	350.40	6.95	-131.67
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)NC(=O)C(C)(C)C)S1	REAL300003863423	1	44	-2.0	-117.20	374.63	4.84	-112.36
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC(Cl)=C3)CCC2)S1	REAL300003863428	1	42	-2.0	-122.42	370.93	10.10	-112.32
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C(F)C=C3)CCC2)S1	REAL300003863429	1	42	-2.0	-122.49	360.16	9.67	-112.82
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC(F)=C3)CCC2)S1	REAL300003863430	1	42	-2.0	-122.36	360.61	9.65	-112.71
CC1=CC=CC(C2(C(=O)[N-]C3=NC(C(=O)[O-])=C(C(C)C)S3)CCC2)=C1	REAL300003863431	1	45	-2.0	-127.21	375.64	10.23	-116.98
COC1=CC=C(COCC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C=C1	REAL300003863441	1	43	-2.0	-126.42	380.67	6.87	-119.55
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CNC2=CC=CC=C2Cl)S1	REAL300003863451	1	37	-2.0	-120.74	343.88	6.14	-114.60
CSC1=CC=C(OC(C)C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C=C1	REAL300003863454	1	43	-2.0	-125.45	383.85	8.76	-116.69
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)C2=CSC=C2)S1	REAL300003863456	1	35	-2.0	-121.31	324.61	6.82	-114.49
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=CS2)S1	REAL300003863457	1	35	-2.0	-121.20	325.53	6.99	-114.21
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC=CC(F)=C2)S1	REAL300003863459	1	41	-2.0	-126.73	355.64	8.28	-118.45
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC=CC(Cl)=C2)S1	REAL300003863465	1	41	-2.0	-124.87	365.97	8.72	-116.15
CC1=CC=CC(C(C)C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=C1	REAL300003863467	1	41	-2.0	-123.89	355.03	8.45	-115.44
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CS3)CCCCC2)S1	REAL300003863469	1	45	-2.0	-124.31	377.15	9.51	-114.80
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CC2=CSC(C3=COC=C3)=N2)S1	REAL300003863470	1	38	-2.0	-129.64	363.47	6.21	-123.43
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2=CC3=C(CCCCC3)NC2=O)S1	REAL300003863472	1	45	-2.0	-143.35	374.91	6.97	-136.38
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN2N=CC3=CC=CC=C32)S1	REAL300003863490	1	38	-2.0	-129.24	345.38	6.84	-122.40
COC1=CC=C(C(C)C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C=C1	REAL300003863492	1	42	-2.0	-122.61	363.02	7.09	-115.52
COC1=CC=CC(C2(C(=O)[N-]C3=NC(C(=O)[O-])=C(C(C)C)S3)CCCC2)=C1	REAL300003863496	1	49	-2.0	-138.74	401.07	9.13	-129.61
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN2C(=O)CCC3=CC=CC=C32)S1	REAL300003863501	1	43	-2.0	-132.28	371.78	7.94	-124.34
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)CCCC2=CC=CC=C2)S1	REAL300003863504	1	50	-2.0	-124.70	414.23	10.55	-114.15
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=CC=C2F)S1	REAL300003863505	1	38	-2.0	-122.35	338.65	7.81	-114.54
CC1=CC(Cl)=CC=C1OC(C)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003863512	1	42	-2.0	-122.67	380.25	8.91	-113.76
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)S1	REAL300003863521	1	40	-2.0	-159.10	363.45	4.96	-154.14
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CSC2=CC=C(Cl)C=C2)S1	REAL300003863526	1	36	-2.0	-118.65	351.93	8.23	-110.42
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CC2=CSC(C3=CC=CC=C3)=N2)S1	REAL300003863527	1	41	-2.0	-132.84	380.36	8.20	-124.64
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CC(=O)N(C)C3=CC=CC=C32)S1	REAL300003863535	1	43	-2.0	-128.53	369.28	7.32	-121.21
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CC3=CC=CC=C3S2)S1	REAL300003863536	1	37	-2.0	-125.08	339.55	8.09	-116.99
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CC(=O)NC3=CC(F)=CC=C32)S1	REAL300003863539	1	40	-2.0	-122.08	359.65	5.68	-116.40
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CSC2=CC=C(C(C)(C)C)C=C2)S1	REAL300003863540	1	48	-2.0	-122.49	411.36	10.03	-112.46
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CNC(=O)NCC2=CC=C(F)C=C2)S1	REAL300003863541	1	44	-2.0	-115.57	398.01	4.50	-111.07
CC1=C(CC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)N=C(C2=CC=CC=C2)O1	REAL300003863550	1	44	-2.0	-131.15	392.98	6.38	-124.77
CC(=O)NCC(=O)NCC(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003863558	1	39	-2.0	-117.50	354.31	0.44	-117.06
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=NC(C(=O)[O-])=C(C(C)C)S2)=C1	REAL300003863559	1	43	-2.0	-124.64	384.47	5.43	-119.21
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COC2CCCCC2)S1	REAL300003863563	1	42	-2.0	-125.41	353.07	7.20	-118.21
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COCCOC2=CC=CC=C2)S1	REAL300003863565	1	43	-2.0	-131.05	381.08	7.32	-123.73
COC1=CC=CC(COCC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=C1	REAL300003863568	1	43	-2.0	-128.29	380.69	6.88	-121.41
COC1=CC=CC(COC(C)C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=C1	REAL300003863569	1	46	-2.0	-131.54	400.91	7.58	-123.96
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC(F)=C3)CC2)S1	REAL300003863578	1	39	-2.0	-121.16	344.14	9.47	-111.69
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CC2=COC(C3=CC=C(F)C=C3)=N2)S1	REAL300003863580	1	41	-2.0	-130.08	378.94	5.91	-124.17
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2SCCC3=CC=CC=C32)S1	REAL300003863590	1	40	-2.0	-131.60	353.86	8.53	-123.07
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2=CNC(=O)N(C)C2=O)S1	REAL300003863593	1	35	-2.0	-124.08	321.39	3.53	-120.55
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CS(=O)(=O)C(C)C)S1	REAL300003863606	1	37	-2.0	-138.95	336.90	2.74	-136.21
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC(F)=C3)CCCCC2)S1	REAL300003863607	1	48	-2.0	-122.84	388.89	10.50	-112.34
CC1=CC=C(CCC(=O)NCC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C=C1	REAL300003863609	1	48	-2.0	-116.05	418.46	7.22	-108.83
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COC2CCCCC2C)S1	REAL300003863613	1	45	-2.0	-128.08	370.81	7.95	-120.13
CC1=C(Cl)C=CC=C1OCC(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003863615	1	39	-2.0	-124.38	359.74	8.23	-116.15
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CCN(C3=CC=C(F)C=C3)C2=O)S1	REAL300003863620	1	43	-2.0	-128.16	375.33	7.75	-120.41
CC1=CC=CC(C2(C(=O)[N-]C3=NC(C(=O)[O-])=C(C(C)C)S3)CC2)=C1	REAL300003863621	1	42	-2.0	-126.52	359.16	10.06	-116.46
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN2C=CC3=CC=C(Cl)C=C32)S1	REAL300003863623	1	39	-2.0	-122.81	366.57	9.22	-113.59
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C(F)C=C3)CCCCC2)S1	REAL300003863625	1	48	-2.0	-122.19	388.77	10.49	-111.70
CCOC(CC)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003863626	1	38	-2.0	-124.54	332.46	6.12	-118.42
CCC(C)C(C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)C1=CC=CC=C1	REAL300003863632	1	47	-2.0	-123.86	386.13	10.54	-113.32
CC1=NOC(C)=C1CSCC(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003863639	1	41	-2.0	-123.49	378.26	7.37	-116.12
CC1=CC=CC(CSCC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=C1	REAL300003863641	1	42	-2.0	-123.93	382.52	9.27	-114.66
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2=NNC(=O)C3=CC=CC=C32)S1	REAL300003863642	1	37	-2.0	-118.93	336.42	4.39	-114.54
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)OC2=CC=C(F)C=C2)S1	REAL300003863654	1	42	-2.0	-121.17	359.62	8.03	-113.14
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C2=CC=CC=C2)C2=CC=CC=C2)S1	REAL300003863665	1	45	-2.0	-128.94	387.14	10.51	-118.43
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)OC2=CC=C(Cl)C=C2)S1	REAL300003863672	1	42	-2.0	-120.79	369.93	8.48	-112.31
COCCOCC(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003863681	1	36	-2.0	-127.75	324.87	3.78	-123.97
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CSC2=CC3=CC=CC=C3C=C2)S1	REAL300003863685	1	42	-2.0	-124.49	381.31	9.98	-114.51
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC=C3F)CCCC2)S1	REAL300003863688	1	45	-2.0	-127.04	371.17	9.88	-117.16
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC(F)=C3)CCCC2)S1	REAL300003863689	1	45	-2.0	-135.48	377.09	9.91	-125.57
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC3=CC=CC=C3C=C2)S1	REAL300003863692	1	42	-2.0	-129.18	371.64	9.36	-119.82
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCN2C(=O)C2=CC=CS2)S1	REAL300003863694	1	43	-2.0	-142.58	382.10	6.66	-135.92
CCC1=CC=CC=C1OCC(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003863695	1	42	-2.0	-127.57	367.32	8.55	-119.02
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2COC3=CC=CC=C3O2)S1	REAL300003863697	1	38	-2.0	-125.82	339.87	6.64	-119.18
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2COC3=CC=C(Cl)C=C3C2)S1	REAL300003863707	1	40	-2.0	-117.83	364.19	7.62	-110.21
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC=C3)CCC2)S1	REAL300003863709	1	42	-2.0	-126.33	353.78	9.61	-116.72
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CSC(C)(C)C)S1	REAL300003863713	1	38	-2.0	-123.34	336.07	6.68	-116.66
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CSCC2=CC=CC(Cl)=C2)S1	REAL300003863716	1	39	-2.0	-122.69	377.84	9.12	-113.57
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CSCC2=CC=C(Cl)C=C2)S1	REAL300003863717	1	39	-2.0	-121.55	377.84	9.13	-112.42
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CNC(=O)C2CC2)S1	REAL300003863724	1	36	-2.0	-116.14	326.09	3.54	-112.60
CC(C)CC(=O)NC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)C(C)C	REAL300003863725	1	50	-2.0	-116.60	408.19	7.19	-109.41
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC(C(C)C)=CC=C2)S1	REAL300003863727	1	45	-2.0	-127.29	385.81	8.99	-118.30
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=CC(C(C)C)=C2)S1	REAL300003863728	1	48	-2.0	-127.35	403.67	9.60	-117.75
CC1=CC=C(C(C)C)C(OC(C)C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=C1	REAL300003863729	1	51	-2.0	-130.19	422.44	10.37	-119.82
CC1=CC(OC(C)C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=CC=C1C(C)C	REAL300003863730	1	51	-2.0	-127.96	419.39	10.09	-117.87
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=CC(F)=C2)S1	REAL300003863731	1	39	-2.0	-123.64	349.86	7.77	-115.87
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)NC(=O)C2CCCC2)S1	REAL300003863732	1	45	-2.0	-116.74	379.24	5.51	-111.23
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)SC2=CC=C([N+](=O)[O-])C=C2)S1	REAL300003863733	1	41	-2.0	-118.64	387.16	9.12	-109.52
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=C(C(C)(C)C)C=C2)S1	REAL300003863743	1	51	-2.0	-126.97	419.81	10.07	-116.90
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COCC2=CC=CC=C2)S1	REAL300003863744	1	39	-2.0	-125.96	351.15	7.57	-118.39
CC(=O)C1=CC=CC(OC(C)C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=C1	REAL300003863755	1	44	-2.0	-137.95	382.91	8.11	-129.84
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN2C=CC3=CC([N+](=O)[O-])=CC=C32)S1	REAL300003863756	1	41	-2.0	-118.27	377.97	9.37	-108.90
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2COC3=CC=CC=C32)S1	REAL300003863758	1	37	-2.0	-122.52	328.38	6.25	-116.27
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CNC(=O)C(C)(C)C)S1	REAL300003863767	1	41	-2.0	-116.01	354.09	3.99	-112.02
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2=CC3=CC=CC=C3C(=O)N2)S1	REAL300003863772	1	38	-2.0	-121.09	345.06	5.93	-115.16
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)S1	REAL300003863777	1	40	-2.0	-120.72	366.29	4.07	-116.65
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CSC2=CC=C3CCCC3=C2)S1	REAL300003863782	1	43	-2.0	-123.78	380.76	9.62	-114.16
CC1=CC(OCC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=NO1	REAL300003863783	1	35	-2.0	-126.53	325.43	4.03	-122.50
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=CC(C(F)(F)F)=C2)S1	REAL300003863788	1	39	-2.0	-124.67	364.33	8.09	-116.58
CC1=CC=C(C)C(OCC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=C1	REAL300003863789	1	42	-2.0	-127.15	367.10	8.47	-118.68
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=CC=C2C2=CC=CC=C2)S1	REAL300003863790	1	46	-2.0	-130.67	404.40	10.78	-119.89
CC1=CC=C(OCC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C=C1C	REAL300003863791	1	42	-2.0	-127.46	364.02	8.30	-119.16
CC1=CC=C(C(C)C)C(OCC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=C1	REAL300003863792	1	48	-2.0	-129.21	405.64	9.72	-119.49
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=CC=C2F)S1	REAL300003863794	1	36	-2.0	-131.38	331.75	7.15	-124.23
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=C(Br)C=C2)S1	REAL300003863795	1	36	-2.0	-121.60	346.90	7.71	-113.89
CCC1=CC=C(OCC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C=C1	REAL300003863797	1	42	-2.0	-126.01	368.49	8.53	-117.48
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN2C=CC(=O)NC2=O)S1	REAL300003863802	1	35	-2.0	-122.30	325.59	3.11	-119.19
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)NC(=O)C2=COC=C2)S1	REAL300003863803	1	39	-2.0	-118.64	354.98	3.88	-114.76
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CNS(=O)(=O)C2=CC=CS2)S1	REAL300003863806	1	37	-2.0	-122.09	362.73	1.97	-120.12
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN(C)S(C)(=O)=O)S1	REAL300003863807	1	36	-2.0	-114.47	331.05	1.77	-112.70
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003863808	1	43	-2.0	-126.19	384.62	5.65	-120.54
COC1=CC=C(SC(C)C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C=C1	REAL300003863810	1	43	-2.0	-124.44	388.46	7.74	-116.70
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)SC2=CC=CC=C2Cl)S1	REAL300003863811	1	39	-2.0	-125.83	366.62	8.63	-117.20
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CNC(=O)CC(C)(C)C)S1	REAL300003863817	1	44	-2.0	-114.77	368.85	4.64	-110.13
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN2C=CC3=CC=CC=C32)S1	REAL300003863818	1	39	-2.0	-124.25	349.87	8.71	-115.54
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN2N=C(C3=CC=CC=C3)C=CC2=O)S1	REAL300003863820	1	44	-2.0	-136.24	392.98	7.65	-128.59
CCCC(=O)N1CCCC1C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003863824	1	45	-2.0	-140.04	379.27	7.41	-132.63
CCCC(=O)N1CCCCC1C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003863826	1	48	-2.0	-146.42	388.89	8.22	-138.20
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN2C=C([N+](=O)[O-])C=CC2=O)S1	REAL300003863827	1	37	-2.0	-121.74	349.00	6.51	-115.23
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OCC2=CC=CC=C2)S1	REAL300003863837	1	42	-2.0	-127.63	371.38	8.27	-119.36
COC1=CC=C2CC(C(=O)[N-]C3=NC(C(=O)[O-])=C(C(C)C)S3)COC2=C1	REAL300003863838	1	44	-2.0	-120.08	377.01	6.42	-113.66
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COCCC2=CC=CC=C2)S1	REAL300003863839	1	42	-2.0	-124.81	372.67	8.36	-116.45
COC1=CC=CC=C1C1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)CC1	REAL300003863841	1	43	-2.0	-131.53	373.95	7.75	-123.78
CC1=CC=CC=C1C1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)CC1	REAL300003863842	1	42	-2.0	-125.87	361.08	8.86	-117.01
CC1=C(CC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)N=C(C2=CC=CO2)O1	REAL300003863843	1	41	-2.0	-132.64	376.03	4.37	-128.27
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CSC2=CC=C(F)C(F)=C2)S1	REAL300003863856	1	36	-2.0	-117.31	347.90	7.83	-109.48
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CC2=CSC(C3=CC=CS3)=N2)S1	REAL300003863859	1	38	-2.0	-132.13	372.01	7.23	-124.90
CC1=CC=C(C(C)C)C=C1OC(C)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003863866	1	51	-2.0	-128.14	422.71	10.35	-117.79
CC1=CC=C(Cl)C(OC(C)C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=C1	REAL300003863867	1	42	-2.0	-129.17	379.86	8.92	-120.25
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=C(F)C(Cl)=C2)S1	REAL300003863868	1	36	-2.0	-119.12	348.19	7.65	-111.47
CC1=CC(C)=NC(SCC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=N1	REAL300003863873	1	40	-2.0	-127.66	370.93	6.49	-121.17
CCOCCOC(C)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003863881	1	42	-2.0	-131.14	366.95	5.45	-125.69
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CNC(=O)NC2CCCCC2)S1	REAL300003863883	1	47	-2.0	-117.09	393.94	4.15	-112.94
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CNC(=O)NCC2=CC=CO2)S1	REAL300003863885	1	41	-2.0	-117.21	372.35	2.56	-114.65
CCCCSC(C)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003863888	1	41	-2.0	-123.74	362.75	7.72	-116.02
CC1=C(CC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)N=NN1C1=CC=CC=C1	REAL300003863889	1	44	-2.0	-132.19	386.73	7.42	-124.77
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCCN2C(=O)C2=CC=CO2)S1	REAL300003863893	1	46	-2.0	-146.66	384.19	7.82	-138.84
CC1=CC2=C(C=C1C)OC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)C2	REAL300003863895	1	43	-2.0	-129.81	370.29	8.65	-121.16
CCC(CC)(C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)C1=CC=CC=C1	REAL300003863900	1	47	-2.0	-127.58	374.85	8.91	-118.67
CCC(OC1=CC=CC=C1F)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003863905	1	42	-2.0	-133.14	364.36	8.30	-124.84
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)N2N=NC(C3=CC=CC=C3)=N2)S1	REAL300003863909	1	43	-2.0	-128.27	387.93	6.92	-121.35
CC1=C(C2=CC=CC=C2)C=C(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C(=O)N1	REAL300003863912	1	45	-2.0	-143.43	395.46	8.22	-135.21
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN(C)C2=CC=CC=C2[N+](=O)[O-])S1	REAL300003863914	1	42	-2.0	-137.30	372.42	8.04	-129.26
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=C(Cl)C(Cl)=C2)S1	REAL300003863917	1	38	-2.0	-119.98	365.44	8.76	-111.22
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C(C(C)(C)C)C=C3)CC2)S1	REAL300003863918	1	51	-2.0	-126.33	413.93	11.71	-114.62
CC1=CC(C)=CC(C2(C(=O)[N-]C3=NC(C(=O)[O-])=C(C(C)C)S3)CCC2)=C1	REAL300003863919	1	48	-2.0	-127.86	402.97	10.22	-117.64
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN2N=CC3=CC=CC=C3C2=O)S1	REAL300003863921	1	40	-2.0	-141.08	363.52	6.29	-134.79
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC(Cl)=C3)CCCC2)S1	REAL300003863922	1	45	-2.0	-132.78	387.41	10.35	-122.43
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC(Cl)=C3)CC2)S1	REAL300003863923	1	39	-2.0	-121.35	354.47	9.90	-111.45
C=CCSCC(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003863924	1	33	-2.0	-122.11	314.03	6.13	-115.98
CC1=NOC(C)=C1C(C)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003863929	1	40	-2.0	-117.81	345.20	6.44	-111.37
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CNC(=O)CCC2CCCC2)S1	REAL300003863932	1	48	-2.0	-115.12	401.34	6.14	-108.98
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C)CCCC3=CC=CC=C32)S1	REAL300003863933	1	45	-2.0	-125.20	367.84	9.46	-115.74
CCCS(=O)(=O)N1CCCC1C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003863935	1	46	-2.0	-145.55	396.76	5.34	-140.21
COCCN1N=C(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C=CC1=O	REAL300003863937	1	41	-2.0	-120.37	370.49	3.64	-116.73
CC1=NC(CSCC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=CS1	REAL300003863939	1	38	-2.0	-126.13	367.70	6.29	-119.84
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN2N=NC3=CC=CC=C3C2=O)S1	REAL300003863940	1	39	-2.0	-135.30	358.50	4.88	-130.42
COC(C)(C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)C1=CC=CC=C1	REAL300003863948	1	42	-2.0	-124.92	354.96	6.58	-118.34
CC1=CC=C(C(C)C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C=C1	REAL300003863960	1	41	-2.0	-123.90	354.94	8.47	-115.43
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC=C(F)C=C2)S1	REAL300003863962	1	41	-2.0	-120.91	355.70	8.27	-112.64
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN2CC3=CC=CC=C3C2=O)S1	REAL300003863963	1	40	-2.0	-134.20	360.51	7.03	-127.17
CC1=CC=C(C(C)(C)C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C=C1	REAL300003863964	1	44	-2.0	-125.48	370.71	8.88	-116.60
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C(=O)NC3CC3)CCC2)S1	REAL300003863966	1	43	-2.0	-120.76	368.71	6.19	-114.57
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)SC2=CC=C(Cl)C=C2)S1	REAL300003863969	1	39	-2.0	-121.04	375.70	8.97	-112.07
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CSC2=CC=C(F)C=C2)S1	REAL300003863970	1	36	-2.0	-118.50	341.61	7.77	-110.73
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CSC2=CC=CC=C2Cl)S1	REAL300003863976	1	36	-2.0	-124.21	350.14	8.16	-116.05
CC1=CC=C(SCC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C=C1	REAL300003863977	1	39	-2.0	-122.98	356.61	8.38	-114.60
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2SCCC3=C2C=CS3)S1	REAL300003863980	1	37	-2.0	-128.08	346.67	7.69	-120.39
CC(C)OCCS(=O)(=O)NCC(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003863981	1	46	-2.0	-123.06	410.45	1.43	-121.63
CCC1=CC=C(C(C)C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C=C1	REAL300003863982	1	44	-2.0	-124.20	376.43	9.23	-114.97
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CC2=CSC(C(C)(C)C)=N2)S1	REAL300003863985	1	43	-2.0	-125.80	383.37	6.74	-119.06
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN2C3=CC=CC=C3CCCC2=O)S1	REAL300003863987	1	46	-2.0	-132.52	386.81	8.61	-123.91
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CCC(C)(C)C3=CC=CC=C32)S1	REAL300003863988	1	48	-2.0	-126.86	384.00	10.61	-116.25
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)N2C=C([N+](=O)[O-])C=N2)S1	REAL300003863991	1	40	-2.0	-118.27	364.59	6.40	-111.87
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CCOC3=CC=CC=C32)S1	REAL300003863995	1	40	-2.0	-124.02	341.80	7.86	-116.16
CCC(CC)(C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)C1=CC=C(Cl)C=C1	REAL300003863996	1	47	-2.0	-124.17	392.84	9.43	-114.74
CC1=CC=CC(C2(C(=O)[N-]C3=NC(C(=O)[O-])=C(C(C)C)S3)CCCC2)=C1	REAL300003863997	1	48	-2.0	-133.17	392.98	10.49	-122.68
CNC(=O)C1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)CCC1	REAL300003864008	1	39	-2.0	-119.96	337.22	4.45	-115.51
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC=C(Cl)C=C2)S1	REAL300003864014	1	41	-2.0	-120.91	366.02	8.72	-112.19
CCCCOCC(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003864016	1	38	-2.0	-124.01	334.26	6.11	-117.90
COC1=CC=C(C2(C(=O)[N-]C3=NC(C(=O)[O-])=C(C(C)C)S3)CCCC2)C=C1	REAL300003864019	1	49	-2.0	-133.11	401.05	9.13	-123.98
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=CC([N+](=O)[O-])=C2)S1	REAL300003864029	1	38	-2.0	-127.66	353.83	7.76	-119.90
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=CC=C2Cl)S1	REAL300003864030	1	39	-2.0	-128.78	359.49	8.23	-120.55
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=C(C(F)(F)F)C=C2)S1	REAL300003864039	1	39	-2.0	-120.75	364.32	8.09	-112.66
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COC2CCCC2)S1	REAL300003864056	1	39	-2.0	-125.69	335.96	6.60	-119.09
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CSC2=CC=CC=C2)S1	REAL300003864058	1	36	-2.0	-122.93	335.22	7.71	-115.22
CC1=CC=CC(OC(C)C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=C1	REAL300003864062	1	42	-2.0	-127.43	364.86	8.36	-119.07
CC1=CC=CC(C)=C1OCC(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003864066	1	42	-2.0	-128.46	367.36	8.55	-119.91
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)NS(=O)(=O)C2=CC=CC=C2)S1	REAL300003864069	1	43	-2.0	-126.62	388.09	3.53	-123.09
CC1=CC=CC(C2(C(=O)[N-]C3=NC(C(=O)[O-])=C(C(C)C)S3)CCCCC2)=C1	REAL300003864073	1	51	-2.0	-126.89	403.90	11.10	-115.79
CC1=CC(C)=CC(C2(C(=O)[N-]C3=NC(C(=O)[O-])=C(C(C)C)S3)CC2)=C1	REAL300003864080	1	45	-2.0	-126.74	380.54	10.72	-116.02
CC1=NN(CC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C(C)=C1Cl	REAL300003864089	1	38	-2.0	-122.63	355.61	6.18	-116.45
CCCSCC(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003864094	1	35	-2.0	-122.01	322.70	6.37	-115.64
CCCS(=O)(=O)CC(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003864095	1	37	-2.0	-138.70	341.17	2.92	-135.78
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CNC2=CC=CC=C2[N+](=O)[O-])S1	REAL300003864098	1	39	-2.0	-133.24	351.72	6.44	-126.80
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=C(Cl)C=C2Cl)S1	REAL300003864100	1	36	-2.0	-123.11	358.28	8.14	-114.97
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CNC(=O)C2=CC=CC=C2)S1	REAL300003864104	1	39	-2.0	-118.83	351.05	5.06	-113.77
CC1=CC=C(C)C(SCC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=C1	REAL300003864106	1	42	-2.0	-123.80	375.13	8.95	-114.85
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C23CC4CC(CC(Cl)(C4)C2)C3)S1	REAL300003864123	1	46	-2.0	-128.62	374.85	8.93	-119.69
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CC3=CC=CC=C3O2)S1	REAL300003864126	1	37	-2.0	-129.10	331.25	7.42	-121.68
CC1=NNC(=O)C(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=C1C	REAL300003864132	1	37	-2.0	-129.58	327.41	3.89	-125.69
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(F)(F)C2=CC=CC=C2)S1	REAL300003864138	0	35	-2.0	-120.53	326.91	7.37	-113.16
COC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)C1=CC=CC=C1	REAL300003864147	1	39	-2.0	-127.33	348.75	7.35	-119.98
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC=CC=C2)S1	REAL300003864165	1	41	-2.0	-124.81	349.30	8.20	-116.61
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C(F)C=C3)CCCC2)S1	REAL300003864169	1	45	-2.0	-128.17	377.97	9.90	-118.27
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C23CC4CC(CC(C4)C2)C3)S1	REAL300003864170	1	46	-2.0	-130.08	358.77	8.49	-121.59
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=CC=C2)S1	REAL300003864175	1	36	-2.0	-126.29	325.62	7.08	-119.21
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2COCCO2)S1	REAL300003864182	1	34	-2.0	-122.84	301.70	3.59	-119.25
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=NC(C(=O)[O-])=C(C(C)C)S2)O1	REAL300003864188	1	37	-2.0	-99.98	355.59	1.45	-98.53
CC1=CC(NC(=O)C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=NO1	REAL300003864193	0	35	-2.0	-117.54	326.04	4.02	-113.52
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CSC(F)(F)F)S1	REAL300003864196	1	29	-2.0	-113.42	299.48	5.28	-108.14
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2=CC(=O)NC3=CC(F)=CC=C32)S1	REAL300003864201	1	38	-2.0	-120.64	346.50	6.70	-113.94
COC1=CC=C2C(=C1)C=CN2CC(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003864205	1	43	-2.0	-123.48	379.34	8.01	-115.47
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=CC(Cl)=C2)S1	REAL300003864211	1	39	-2.0	-123.62	360.18	8.22	-115.40
CC(C)CCSCC(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003864216	1	41	-2.0	-121.91	361.77	7.66	-114.25
CCCCOC(C)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003864217	1	41	-2.0	-125.25	354.47	6.80	-118.45
C=CCCOC(C)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003864218	1	39	-2.0	-124.87	345.78	6.58	-118.29
CC(C)CCOC(C)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003864219	1	44	-2.0	-125.46	372.04	7.32	-118.14
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OCC2CCCCO2)S1	REAL300003864220	1	46	-2.0	-128.79	386.67	6.54	-122.25
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OCC2CCCO2)S1	REAL300003864221	1	43	-2.0	-133.42	368.57	5.70	-127.72
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OCC2CC2)S1	REAL300003864222	1	39	-2.0	-126.27	343.16	6.80	-119.47
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2=CC=CN(CC3=CC=CC=C3)C2=O)S1	REAL300003864234	1	45	-2.0	-150.27	397.85	9.92	-140.35
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CNC(=O)CC2CCCCC2)S1	REAL300003864235	1	48	-2.0	-115.57	395.51	6.01	-109.56
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)NC(=O)CC2CCCCC2)S1	REAL300003864236	1	51	-2.0	-116.94	416.07	6.87	-110.07
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCN2C(=O)CC(C)(C)C)S1	REAL300003864240	1	51	-2.0	-139.24	410.97	8.39	-130.85
CC1=CC=CC=C1C(C)(C)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003864241	1	44	-2.0	-122.69	359.31	8.51	-114.18
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC=C3OCCOC3=C2)S1	REAL300003864242	1	47	-2.0	-130.65	393.79	7.36	-123.29
CC1=NN(C)C(C)=C1C(C)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003864244	1	44	-2.0	-127.53	368.56	6.35	-121.18
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COCC2CCCO2)S1	REAL300003864245	1	40	-2.0	-130.87	348.25	5.00	-125.87
CC1=CN(CC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C2=CC=CC=C12	REAL300003864247	1	42	-2.0	-125.23	371.78	9.39	-115.84
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(OC2CCCC2)C2=CC=CC=C2)S1	REAL300003864256	1	49	-2.0	-130.02	415.64	10.35	-119.67
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CSCC(=O)C2=CC=CC=C2)S1	REAL300003864258	1	41	-2.0	-132.36	381.18	8.46	-123.90
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)NS(C)(=O)=O)S1	REAL300003864262	1	39	-2.0	-115.93	339.04	1.60	-114.33
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CNC(=O)C2=CC3=CC=CC=C3N2)S1	REAL300003864271	1	43	-2.0	-117.02	384.78	4.99	-112.03
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=CC(F)=C2)S1	REAL300003864280	1	38	-2.0	-118.66	340.03	7.85	-110.81
COC1=CC(OCC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=CC=C1[N+](=O)[O-]	REAL300003864285	1	42	-2.0	-120.28	381.11	7.83	-112.45
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(S(C)(=O)=O)CCCC2)S1	REAL300003864288	1	41	-2.0	-123.01	353.44	4.57	-118.44
CNC(=O)C1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)CC1	REAL300003864290	1	36	-2.0	-116.90	320.85	4.33	-112.57
CCC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)C1=CC=CC=C1	REAL300003864302	1	41	-2.0	-123.98	353.09	8.48	-115.50
CC1=CC=C(C(=O)NCC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)S1	REAL300003864308	1	39	-2.0	-118.59	364.98	4.85	-113.74
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CSC2CCS(=O)(=O)C2)S1	REAL300003864309	1	39	-2.0	-126.71	364.67	3.55	-123.16
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(CC2=CC=CC=C2)N2C=NN=N2)S1	REAL300003864320	1	43	-2.0	-109.80	385.16	7.87	-101.93
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(NC(=O)C2=CC=CS2)C(C)C)S1	REAL300003864329	1	45	-2.0	-118.93	392.07	7.00	-111.93
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=C(C(C)C)C=C2)S1	REAL300003864332	1	45	-2.0	-125.84	385.80	9.01	-116.83
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=CC=C2C(C)(C)C)S1	REAL300003864336	1	48	-2.0	-127.27	396.70	9.62	-117.65
CC1=CC2=CC=CC=C2N1CC(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003864339	1	42	-2.0	-125.12	368.86	9.15	-115.97
COCCSCC(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003864344	1	36	-2.0	-120.07	334.87	4.65	-115.42
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CNC(=O)CC2=CC=CC(F)=C2)S1	REAL300003864345	1	42	-2.0	-116.52	382.08	5.81	-110.71
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(OC2=CC=CC=C2)C2=CC=CC=C2)S1	REAL300003864346	1	46	-2.0	-132.10	403.06	10.73	-121.37
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN2CCCCCCC2=O)S1	REAL300003864347	1	45	-2.0	-128.37	361.98	6.93	-121.44
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCC3=CC=CC=C32)S1	REAL300003864353	1	42	-2.0	-125.93	350.61	9.75	-116.18
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)S(C)(=O)=O)S1	REAL300003864355	1	34	-2.0	-141.02	314.79	2.28	-138.74
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CS(=O)(=O)C2CCCC2)S1	REAL300003864357	1	41	-2.0	-140.16	361.62	4.07	-136.09
CCCC(=O)N1CSCC1C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003864360	1	43	-2.0	-131.96	377.77	7.27	-124.69
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CSCN2C(=O)CC(C)(C)C)S1	REAL300003864361	1	49	-2.0	-131.39	409.46	8.24	-123.15
CCCCC(=O)N1CSCC1C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003864362	1	46	-2.0	-132.06	398.84	8.19	-123.87
CC(C)CCC(=O)NCC(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003864367	1	44	-2.0	-115.03	376.22	4.81	-110.22
CCSC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)C(C)C	REAL300003864370	1	41	-2.0	-125.00	353.00	7.79	-117.21
CC1=C(CC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)N=C(C2=CSC=C2)O1	REAL300003864371	1	41	-2.0	-130.01	383.27	5.23	-124.78
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CCC3=CC=CC=C32)S1	REAL300003864376	1	39	-2.0	-125.90	336.17	8.72	-117.18
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC(C(F)(F)F)=C3)CC2)S1	REAL300003864380	1	42	-2.0	-126.17	376.82	10.42	-115.75
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=C3OCCOC3=C2)S1	REAL300003864383	1	44	-2.0	-124.76	378.09	6.93	-117.83
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(=O)NCCCC2=CC=CC=C2)S1	REAL300003864388	0	45	-2.0	-118.30	398.99	6.48	-111.82
CC1=CC=C(OCC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C(C)=C1	REAL300003864392	1	42	-2.0	-126.66	367.01	8.47	-118.19
CC1=CC(NC(=O)CSCC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=NO1	REAL300003864397	1	42	-2.0	-130.03	390.80	6.06	-123.97
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)S1	REAL300003864401	0	40	-2.0	-124.38	363.16	4.75	-119.63
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCN2S(C)(=O)=O)S1	REAL300003864402	1	40	-2.0	-144.63	353.80	3.67	-140.96
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=CC(Cl)=C2)S1	REAL300003864403	1	36	-2.0	-124.57	342.33	7.60	-116.97
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)SCC2=CC=CC=C2)S1	REAL300003864407	1	42	-2.0	-125.28	379.65	9.19	-116.09
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CSC2=CC=C(C(C)C)C=C2)S1	REAL300003864408	1	45	-2.0	-122.46	395.39	9.62	-112.84
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=CC=C2C(F)(F)F)S1	REAL300003864409	1	39	-2.0	-131.37	363.00	8.14	-123.23
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=C(F)C=C2F)S1	REAL300003864410	1	36	-2.0	-125.60	338.16	7.22	-118.38
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=CC(C(C)(C)C)=C2)S1	REAL300003864412	1	51	-2.0	-128.86	418.61	10.05	-118.81
CC1=CC(OC(C)C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=CC=C1Cl	REAL300003864416	1	42	-2.0	-122.96	378.89	8.79	-114.17
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C2=CC=CC=C2)N2C=CC=N2)S1	REAL300003864418	1	42	-2.0	-122.67	372.88	7.73	-114.94
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCN2C(=O)C(C)(C)C)S1	REAL300003864428	1	48	-2.0	-142.02	386.77	7.07	-134.95
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CSC3(C)CCC(=O)N23)S1	REAL300003864429	1	41	-2.0	-137.40	358.97	6.96	-130.44
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(SCC2=CC=CC=C2)C(C)C)S1	REAL300003864430	1	48	-2.0	-126.30	412.91	10.82	-115.48
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2OCCC3=CC=CC=C32)S1	REAL300003864437	1	40	-2.0	-129.79	343.42	8.42	-121.37
COC1=CC=C(C(C)(C)C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C=C1OC	REAL300003864441	1	49	-2.0	-127.79	408.02	7.40	-120.39
COC1=CC=CC=C1C(C)(C)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003864442	1	45	-2.0	-126.99	374.08	8.54	-118.45
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN2C=CC([N+](=O)[O-])=N2)S1	REAL300003864443	1	34	-2.0	-131.66	327.37	6.36	-125.30
CCOCCC1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)CCCC1	REAL300003864444	1	48	-2.0	-124.73	388.94	8.27	-116.46
CC1=CC=C2CC(C(=O)[N-]C3=NC(C(=O)[O-])=C(C(C)C)S3)SC2=C1	REAL300003864447	1	40	-2.0	-124.99	361.01	8.76	-116.23
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C2=CC=C(Cl)C=C2)C(C)C)S1	REAL300003864455	1	44	-2.0	-119.55	384.80	10.42	-109.13
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCN2C(=O)OC(C)(C)C)S1	REAL300003864459	1	49	-2.0	-138.32	405.85	6.94	-131.38
CCC(OC1=CC=CC=C1)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003864460	1	42	-2.0	-128.38	357.19	8.23	-120.15
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=CC3=CC=CC=C32)S1	REAL300003864461	1	42	-2.0	-131.40	370.66	9.39	-122.01
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC=C3)CCCC2)S1	REAL300003864462	1	45	-2.0	-132.25	371.61	9.82	-122.43
CCC1=CC=CC(OCC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=C1	REAL300003864463	1	42	-2.0	-127.12	368.50	8.53	-118.59
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=CC=C2C(C)C)S1	REAL300003864467	1	45	-2.0	-128.77	384.14	9.06	-119.71
CC1=CC=C(SCC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C(C)=C1	REAL300003864470	1	42	-2.0	-123.42	375.03	8.95	-114.47
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C23CC4CC(C)(CC(C)(C4)C2)C3)S1	REAL300003864471	1	52	-2.0	-131.84	399.17	9.46	-122.38
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CSCC2=CC=C(F)C=C2)S1	REAL300003864473	1	39	-2.0	-121.80	367.52	8.67	-113.13
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCCN2C(=O)OC(C)(C)C)S1	REAL300003864476	1	52	-2.0	-140.00	415.22	8.00	-132.00
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)NC(=O)OC(C)(C)C)S1	REAL300003864477	1	45	-2.0	-117.34	381.61	4.29	-113.05
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(NC(=O)OC(C)(C)C)C(C)C)S1	REAL300003864478	1	51	-2.0	-117.74	415.38	6.57	-111.17
CC(C)CC(NC(=O)OC(C)(C)C)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003864479	1	54	-2.0	-117.78	430.20	5.99	-111.79
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CNC(=O)OC(C)(C)C)S1	REAL300003864480	1	42	-2.0	-116.09	361.07	3.38	-112.71
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CC3=CC=CC=C32)S1	REAL300003864485	1	36	-2.0	-124.42	321.65	7.81	-116.61
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)NC(=O)OC(C)(C)C)S1	REAL300003864487	1	48	-2.0	-116.85	394.28	4.75	-112.10
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN(C)C(=O)OC(C)(C)C)S1	REAL300003864489	1	45	-2.0	-127.81	382.09	6.27	-121.54
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)S1	REAL300003864497	1	54	-2.0	-117.96	426.92	7.09	-110.87
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(NC(=O)OC(C)(C)C)CCCC2)S1	REAL300003864498	1	52	-2.0	-131.08	414.94	6.92	-124.16
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C2=CC=CC=C2)C(C)C)S1	REAL300003864499	1	44	-2.0	-123.50	368.07	9.92	-113.58
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=CC=C2F)S1	REAL300003864501	1	39	-2.0	-132.28	349.69	7.76	-124.52
CC(C)SCC(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003864502	1	35	-2.0	-122.56	319.49	6.20	-116.36
CCCCSCC(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003864503	1	38	-2.0	-121.90	344.21	7.15	-114.75
CCC(OC1CCCCC1)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003864505	1	48	-2.0	-128.83	387.96	8.49	-120.34
CC1=CC=C(F)C(OCC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=C1	REAL300003864509	1	39	-2.0	-131.35	353.25	7.81	-123.54
CC1=NN(C)C(C)=C1OCC(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003864510	1	42	-2.0	-127.72	373.55	6.02	-121.70
COC1=CC=C(OCC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C=C1C	REAL300003864512	1	43	-2.0	-125.81	375.18	7.12	-118.69
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C23CCC(CC2Br)C3)S1	REAL300003864514	1	39	-2.0	-124.37	341.90	7.56	-116.81
CC(C)COC1=CC=CC(OCC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=C1	REAL300003864515	1	49	-2.0	-129.04	418.55	8.81	-120.23
CCS(=O)(=O)CC(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003864519	1	34	-2.0	-139.11	319.67	2.13	-136.98
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)[C@@H](C)NC(=O)OC(C)(C)C)S1	REAL300003864521	1	45	-2.0	-117.38	381.52	4.31	-113.07
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)[C@H]2CCCCN2C(=O)OC(C)(C)C)S1	REAL300003864522	1	52	-2.0	-140.07	416.09	7.98	-132.09
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)S1	REAL300003864523	1	49	-2.0	-137.97	405.96	6.93	-131.04
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)S1	REAL300003864524	1	52	-2.0	-139.81	416.29	8.00	-131.81
COC1=CC=CC(C(C)C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=C1	REAL300003864525	1	42	-2.0	-123.46	363.11	7.07	-116.39
CC1=CC=CC=C1C1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)CCOCC1	REAL300003864526	1	49	-2.0	-124.34	387.05	7.90	-116.44
CC(C)CCOCC(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003864528	1	41	-2.0	-124.02	351.81	6.62	-117.40
CC1=NC([N+](=O)[O-])=CN1CC(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003864529	1	37	-2.0	-118.46	348.66	7.77	-110.69
CCOC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)C1=CC=CC=C1	REAL300003864531	1	42	-2.0	-128.09	370.61	8.30	-119.79
CC1=CC=CC=C1C1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)CCCCC1	REAL300003864537	1	51	-2.0	-125.15	394.26	10.17	-114.98
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)C2=C(Cl)C=CC=C2Cl)S1	REAL300003864540	1	38	-2.0	-121.53	355.10	8.46	-113.07
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C)S1	REAL300003864541	1	54	-2.0	-117.99	426.99	7.08	-110.91
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COC2CN(C(=O)OC(C)(C)C)C2)S1	REAL300003864545	1	50	-2.0	-124.83	425.60	6.21	-118.62
CCC(OC1=CC=CC=C1Cl)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003864546	1	42	-2.0	-129.79	374.16	8.76	-121.03
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=C3CCCCC3=C2)S1	REAL300003864548	1	46	-2.0	-127.63	388.35	9.58	-118.05
CCC1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)CCCC1	REAL300003864553	1	41	-2.0	-124.83	333.40	8.24	-116.59
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CC2=NN(C3=CC=CC=C3)C=C2)S1	REAL300003864555	1	42	-2.0	-137.62	374.74	8.42	-129.20
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)S(=O)(=O)C2CCOCC2)S1	REAL300003864556	1	45	-2.0	-121.58	386.71	3.47	-118.11
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(CC3=CC=CC=C3)CC3CCC2C3)S1	REAL300003864557	1	52	-2.0	-134.48	411.50	10.82	-123.66
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)C2=CC3=CC=CC=C3O2)S1	REAL300003864561	1	41	-2.0	-130.66	364.60	8.83	-121.83
CC1=CC=C(CC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)O1	REAL300003864564	1	35	-2.0	-123.92	319.37	6.20	-117.72
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C(C)C)N2CCCS2(=O)=O)S1	REAL300003864567	1	46	-2.0	-130.06	380.95	3.90	-126.16
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)CNC(=O)OC(C)(C)C)S1	REAL300003864568	1	51	-2.0	-127.21	418.49	5.56	-121.65
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)CC2=CC=CC(Cl)=C2)S1	REAL300003864570	1	44	-2.0	-122.34	386.41	9.38	-112.96
COC1=CC=C(C(C)C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C=C1OC	REAL300003864571	1	46	-2.0	-123.67	392.34	6.98	-116.69
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C2=CC=CC(Cl)=C2)C(C)C)S1	REAL300003864579	1	44	-2.0	-118.95	384.91	10.42	-108.53
CC1=CC=C(C2=NN(CC(=O)[N-]C3=NC(C(=O)[O-])=C(C(C)C)S3)N=N2)C=C1	REAL300003864580	1	43	-2.0	-126.67	389.71	6.93	-119.74
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COC2CC(C)CCC2C(C)C)S1	REAL300003864592	1	54	-2.0	-129.84	426.78	9.66	-120.18
CCC(C)C1=CC=CC=C1OCC(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003864593	1	48	-2.0	-129.67	402.59	9.71	-119.96
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CSC3=CC=CC=C32)S1	REAL300003864595	1	37	-2.0	-122.91	339.26	8.06	-114.85
CCC(OC1=CC=CC=C1C)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003864597	1	45	-2.0	-128.41	378.20	8.94	-119.47
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(CC3=CC=CC=C3)CCC2)S1	REAL300003864601	1	45	-2.0	-127.48	372.99	10.89	-116.59
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(CC3=CC=CC=C3)CC2)S1	REAL300003864603	1	42	-2.0	-125.49	357.48	10.67	-114.82
CC(C)CC1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)CCC1	REAL300003864605	1	44	-2.0	-125.28	353.12	8.47	-116.81
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=CC(Cl)=C2)S1	REAL300003864607	1	38	-2.0	-118.80	350.35	8.29	-110.51
CCC(OC1CCCC(C)C1)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003864608	1	51	-2.0	-131.44	406.72	9.18	-122.26
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CC2=NN(C3=CC=C(F)C=C3)C=C2)S1	REAL300003864609	1	42	-2.0	-133.69	381.16	8.49	-125.20
COC1=CC=C(C(C)(C)C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C=C1	REAL300003864612	1	45	-2.0	-125.76	378.78	7.50	-118.26
COCCC1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)CCCC1	REAL300003864616	1	45	-2.0	-124.20	367.09	7.31	-116.89
CCC(OC1=CC=CC(C)=C1)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003864622	1	45	-2.0	-129.02	378.35	8.96	-120.06
COCCC1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)CCC1	REAL300003864624	1	42	-2.0	-125.36	353.95	5.66	-119.70
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=C(S(C)(=O)=O)C=C2)S1	REAL300003864625	1	42	-2.0	-130.81	386.28	4.61	-126.20
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=C3CCCC3=C2)S1	REAL300003864628	1	46	-2.0	-128.31	388.19	9.58	-118.73
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)SC2=CC=CC=C2)S1	REAL300003864632	1	39	-2.0	-125.77	359.08	8.44	-117.33
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN2CCCS2(=O)=O)S1	REAL300003864634	1	37	-2.0	-134.89	339.29	2.05	-132.84
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(NC(=O)OC(C)(C)C)CC2)S1	REAL300003864636	1	46	-2.0	-128.32	392.76	4.82	-123.50
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN2C=C([N+](=O)[O-])C=N2)S1	REAL300003864640	1	34	-2.0	-120.75	327.07	5.40	-115.35
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CC2=NN(C3=CC=CC=C3)N=C2)S1	REAL300003864652	1	41	-2.0	-132.94	370.37	7.07	-125.87
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN(CC2CC2)C(=O)OC(C)(C)C)S1	REAL300003864654	1	52	-2.0	-128.83	435.57	8.86	-119.97
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CSCC2=CC=CS2)S1	REAL300003864664	1	36	-2.0	-123.09	351.35	7.69	-115.40
CCOC1=CC=C(SCC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C=C1	REAL300003864666	1	43	-2.0	-121.63	386.55	7.92	-113.71
COC1=CC=C(SCC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C=C1	REAL300003864673	1	40	-2.0	-121.90	364.68	7.00	-114.90
CCOC1=CC=C(OC(C)(C)C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C=C1	REAL300003864675	1	49	-2.0	-124.39	404.56	8.18	-116.21
CCCCCS(=O)(=O)CC(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003864679	1	43	-2.0	-138.66	384.16	4.49	-134.17
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC=CC=C2Cl)S1	REAL300003864681	1	41	-2.0	-124.26	356.52	8.43	-115.83
CC1=CC(OCC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=CC(C)=C1Cl	REAL300003864685	1	42	-2.0	-122.85	379.77	8.76	-114.09
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2COCCN2C(=O)OC(C)(C)C)S1	REAL300003864689	1	50	-2.0	-135.31	407.29	5.54	-129.77
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C)CCCN2C(=O)OC(C)(C)C)S1	REAL300003864690	1	52	-2.0	-131.71	418.38	8.27	-123.44
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)CC2=CC=CC=C2)S1	REAL300003864693	1	44	-2.0	-124.42	369.69	8.87	-115.55
CC1=CC=C(C2(C(=O)[N-]C3=NC(C(=O)[O-])=C(C(C)C)S3)CCOCC2)C=C1	REAL300003864694	1	49	-2.0	-123.55	395.62	8.78	-114.77
CCC(SC1=CC=CC=C1)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003864696	1	42	-2.0	-123.01	372.40	8.86	-114.15
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OC2CCCC2)S1	REAL300003864698	1	42	-2.0	-126.46	352.97	7.15	-119.31
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CC3CCC2O3)S1	REAL300003864699	1	37	-2.0	-119.23	310.31	4.60	-114.63
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OC2CCCCCC2)S1	REAL300003864705	1	48	-2.0	-126.40	380.69	8.18	-118.22
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CSC2=NN=CN2C(C)C)S1	REAL300003864707	1	41	-2.0	-123.84	375.40	8.27	-115.57
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CC2=CSC3=NC=CN23)S1	REAL300003864715	1	35	-2.0	-120.59	333.63	6.85	-113.74
CC1=CC(CC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=NO1	REAL300003864720	1	34	-2.0	-129.84	312.80	5.44	-124.40
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(=O)C2=CN(C3=CC=CC=C3)N=C2)S1	REAL300003864721	0	41	-2.0	-124.37	374.18	7.60	-116.77
COCCCS(=O)(=O)NCC(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003864727	1	43	-2.0	-125.15	389.82	0.51	-124.64
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2=NNC(=O)C=C2)S1	REAL300003864731	1	31	-2.0	-114.52	294.69	2.03	-112.49
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C#N)CCCC2)S1	REAL300003864740	1	36	-2.0	-117.64	318.42	6.22	-111.42
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CSCC(F)(F)F)S1	REAL300003864751	1	32	-2.0	-120.10	320.13	6.01	-114.09
CC1=CSC2=NC=C(C(=O)[N-]C3=NC(C(=O)[O-])=C(C(C)C)S3)C(=O)N12	REAL300003864761	1	37	-2.0	-140.14	344.95	6.78	-133.36
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CNC(=O)C2=CC3=C(CCC3)S2)S1	REAL300003864769	1	43	-2.0	-119.15	389.05	6.08	-113.07
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2=CC=CN(C)C2=O)S1	REAL300003864774	1	35	-2.0	-146.59	317.18	5.98	-140.61
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCC3=C2C=CS3)S1	REAL300003864778	1	39	-2.0	-123.95	342.87	8.65	-115.30
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=C(Cl)S2)S1	REAL300003864780	1	35	-2.0	-118.85	342.63	7.60	-111.25
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2C3=CC=CC=C3OC3=CC=CC=C32)S1	REAL300003864794	1	44	-2.0	-130.26	384.86	9.79	-120.47
COC1=CC=C(C(=O)NCC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C=C1	REAL300003864796	1	43	-2.0	-117.17	380.43	4.36	-112.81
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2=CC(=O)NC3=CC=CC=C32)S1	REAL300003864797	1	38	-2.0	-127.63	340.31	6.66	-120.97
CCOC1=CC=CC=C1C(=O)NCC(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003864799	1	46	-2.0	-123.65	400.23	6.54	-117.11
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CNC(=O)C2=CC=CS2)S1	REAL300003864800	1	36	-2.0	-117.97	343.19	4.06	-113.91
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CNC(=O)C2=CC=CC(F)=C2)S1	REAL300003864801	1	39	-2.0	-115.00	357.44	5.13	-109.87
COC1=CC=CC(C(=O)NCC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=C1	REAL300003864802	1	43	-2.0	-118.83	380.51	4.36	-114.47
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CNC(=O)C2=CC=C3OCOC3=C2)S1	REAL300003864803	1	42	-2.0	-116.04	377.05	3.73	-112.31
CCOC1=CC=C(C(=O)NCC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C=C1	REAL300003864804	1	46	-2.0	-116.90	402.30	5.31	-111.59
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COC2(C)CCC2)S1	REAL300003864808	1	39	-2.0	-126.29	333.80	6.34	-119.95
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2=CC=C(C3=CC=CO3)NC2=O)S1	REAL300003864813	1	39	-2.0	-141.56	356.39	5.72	-135.84
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2COC3=CC=C(F)C=C3C2)S1	REAL300003864830	1	40	-2.0	-118.03	353.87	7.18	-110.85
CCOCCC1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)CCC1	REAL300003864835	1	45	-2.0	-126.02	375.94	6.60	-119.42
CCC1=NNC(=O)C(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=C1CC	REAL300003864838	1	43	-2.0	-129.87	365.81	5.43	-124.44
COCCC1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)CC1	REAL300003864840	1	39	-2.0	-124.83	343.05	5.27	-119.56
CC1=C(C)N2C(=NC=C(C(=O)[N-]C3=NC(C(=O)[O-])=C(C(C)C)S3)C2=O)S1	REAL300003864848	1	40	-2.0	-139.36	363.75	7.46	-131.90
COC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)C1=CC=CC=C1	REAL300003864850	1	39	-2.0	-127.33	348.75	7.35	-119.98
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)C2CCCC2)S1	REAL300003864852	1	44	-2.0	-126.14	350.34	7.70	-118.44
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C)CCCCCC2)S1	REAL300003864853	1	44	-2.0	-121.78	336.41	8.28	-113.50
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=C(Br)C=C2)S1	REAL300003864858	1	38	-2.0	-119.32	354.83	8.42	-110.90
CCC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)C1=CC=C(F)C=C1	REAL300003864865	1	41	-2.0	-119.92	359.60	8.54	-111.38
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(NS(C)(=O)=O)C(C)(C)C)S1	REAL300003864873	1	45	-2.0	-116.21	385.40	3.14	-113.07
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CC(=O)NCC(F)(F)F)S1	REAL300003864876	1	35	-2.0	-127.70	333.58	4.53	-123.17
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CC2=CC3=C(C=CC4=C3C=CC=C4)O2)S1	REAL300003864879	1	44	-2.0	-130.99	391.21	10.06	-120.93
CCOC1=CC=CC=C1C(F)(F)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003864880	0	42	-2.0	-127.46	374.76	7.67	-119.79
CCC(C)OCC(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003864891	1	38	-2.0	-125.00	332.30	6.07	-118.93
CC(C)NC(=O)N1CCC[C@H]1C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003864897	1	47	-2.0	-145.39	392.08	6.46	-138.93
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C(F)C=C3F)CCC2)S1	REAL300003864900	1	42	-2.0	-120.83	362.52	9.36	-111.47
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C(F)C=C3F)CCCC2)S1	REAL300003864901	1	45	-2.0	-120.97	377.47	9.93	-111.04
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(OC2=CC=CC(Cl)=C2)C(C)C)S1	REAL300003864904	1	45	-2.0	-125.61	392.77	9.24	-116.37
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN(C)S(=O)(=O)C2=CC=CN=C2)S1	REAL300003864908	1	42	-2.0	-134.18	386.96	3.14	-131.04
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)[C@H](C)NC(=O)C2CCCCC2)S1	REAL300003864914	1	48	-2.0	-117.25	397.29	6.18	-111.07
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2=CC=CC(=O)N2C)S1	REAL300003864943	1	35	-2.0	-118.37	313.28	5.42	-112.95
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=CC=C2)S1	REAL300003864953	1	38	-2.0	-123.22	333.63	7.78	-115.44
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)[C@@H](C)C2=CC=CC=C2)S1	REAL300003864964	1	38	-2.0	-123.27	333.63	7.78	-115.49
CO[C@@H](C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)C1=CC=CC=C1	REAL300003864965	1	39	-2.0	-127.34	348.74	7.35	-119.99
CCC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)C1=CC=C(OC)C=C1	REAL300003864974	1	45	-2.0	-123.22	382.68	7.77	-115.45
CC(C)CC(C)(C)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003864983	1	43	-2.0	-123.11	344.62	7.38	-115.73
CCC1=CC=C(C(C)(C)C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C=C1	REAL300003864984	1	47	-2.0	-125.87	392.20	9.64	-116.23
CC1=NN(C)C(=O)C(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=C1C	REAL300003864995	1	40	-2.0	-132.02	348.06	5.51	-126.51
CC1=C(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C(=O)NC(C(C)(C)C)=N1	REAL300003864996	1	46	-2.0	-134.15	387.50	6.46	-127.69
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=CC=C2Br)S1	REAL300003865039	1	36	-2.0	-127.45	345.94	7.74	-119.71
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CNC(=O)COC2=CC=CC=C2)S1	REAL300003865043	1	43	-2.0	-117.42	384.57	5.63	-111.79
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)NC(=O)C2=CC=CO2)S1	REAL300003865044	1	39	-2.0	-120.70	355.83	3.92	-116.78
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCCS2(=O)=O)S1	REAL300003865054	1	38	-2.0	-140.53	338.21	2.88	-137.65
CC(=O)N(CCC1=CC=CC=C1)CC(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003865058	1	48	-2.0	-123.81	414.76	8.95	-114.86
CCOCC1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)CC1	REAL300003865064	1	39	-2.0	-128.19	339.53	6.66	-121.53
COC1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)CCCCC1	REAL300003865072	1	42	-2.0	-121.75	332.00	8.26	-113.49
COC1=CC2=CC=C([C@H](C)C(=O)[N-]C3=NC(C(=O)[O-])=C(C(C)C)S3)C=C2C=C1	REAL300003865073	1	48	-2.0	-126.76	408.87	9.33	-117.43
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)[C@H](C)C2=CC=CC=C2)S1	REAL300003865074	1	38	-2.0	-123.24	333.53	7.79	-115.45
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C2=CC=CC=C2)C2CC2)S1	REAL300003865086	1	42	-2.0	-125.12	366.07	9.30	-115.82
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)C2=C(F)C=CC=C2F)S1	REAL300003865087	1	38	-2.0	-126.66	340.95	7.77	-118.89
COCC1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)CCC1	REAL300003865088	1	39	-2.0	-128.25	333.89	5.87	-122.38
C=CCC1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)CCC1	REAL300003865090	1	39	-2.0	-123.50	332.09	8.06	-115.44
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(CC3=CC=CC=C3F)CC2)S1	REAL300003865096	1	42	-2.0	-130.36	359.63	10.70	-119.66
CCC1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)CCCCC1	REAL300003865099	1	44	-2.0	-124.40	344.11	8.67	-115.73
CCOC1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)CCCC1	REAL300003865102	1	42	-2.0	-125.17	348.40	6.01	-119.16
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=CC3=CC=CC=C32)S1	REAL300003865110	1	45	-2.0	-132.42	387.47	10.02	-122.40
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C)CCCOC2)S1	REAL300003865113	1	39	-2.0	-126.61	324.82	4.97	-121.64
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(S(C)(=O)=O)CCC2)S1	REAL300003865114	1	38	-2.0	-119.78	339.94	3.40	-116.38
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C(C(F)(F)F)C=C3)CC2)S1	REAL300003865121	1	42	-2.0	-121.19	376.35	10.39	-110.80
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC=C(Cl)C=C2F)S1	REAL300003865130	1	41	-2.0	-125.63	368.34	8.69	-116.94
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(CC3=CC=CC=C3Cl)CC2)S1	REAL300003865134	1	42	-2.0	-126.28	366.43	11.05	-115.23
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(CC3=CC=CC(F)=C3)CCC2)S1	REAL300003865137	1	45	-2.0	-122.78	378.98	10.98	-111.80
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(F)C2=CC=C(C(F)(F)F)C=C2)S1	REAL300003865140	1	38	-2.0	-118.35	359.43	8.27	-110.08
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)COCC2=CC=CC=C2)S1	REAL300003865142	1	48	-2.0	-121.34	410.46	8.70	-112.64
CC1=CC2=C(C=C1C)C(C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)CO2	REAL300003865144	1	43	-2.0	-127.04	369.44	7.47	-119.57
COC1=CC=C2OCC(C(=O)[N-]C3=NC(C(=O)[O-])=C(C(C)C)S3)CC2=C1	REAL300003865154	1	44	-2.0	-122.13	376.98	6.40	-115.73
C=CCC1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)CCOCC1	REAL300003865163	1	43	-2.0	-121.67	350.64	6.87	-114.80
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CC2=NN(C)C3=CC=CC=C32)S1	REAL300003865172	1	41	-2.0	-130.58	366.65	7.12	-123.46
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C)CC2(F)F)S1	REAL300003865176	1	32	-2.0	-121.82	297.81	5.97	-115.85
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(OC3=CC=CC=C3)CC2)S1	REAL300003865177	1	40	-2.0	-120.87	354.53	8.62	-112.25
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=C(F)C=CC=C3F)CCC2)S1	REAL300003865178	1	42	-2.0	-130.54	368.52	8.96	-121.58
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(CF)CCC2)S1	REAL300003865185	1	35	-2.0	-126.41	306.41	6.59	-119.82
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN2N=NN=C2C2=CSC=C2)S1	REAL300003865190	1	37	-2.0	-124.16	350.70	5.17	-118.99
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CC2=NC(C3CC3)=NN2C)S1	REAL300003865191	1	41	-2.0	-126.03	366.15	6.71	-119.32
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)[C@@H]2CCCN2C(=O)C2CC2)S1	REAL300003865193	1	43	-2.0	-145.33	367.65	7.50	-137.83
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C)CCC3=CC=CC=C32)S1	REAL300003865194	1	42	-2.0	-125.09	358.35	8.80	-116.29
CC1=CC=C(C2(C(=O)[N-]C3=NC(C(=O)[O-])=C(C(C)C)S3)CCC2)C=C1	REAL300003865195	1	45	-2.0	-126.76	375.59	10.24	-116.52
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC=C3F)CCC2)S1	REAL300003865196	1	42	-2.0	-130.77	357.02	10.11	-120.66
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN2C=CC3=CC=C(F)C=C32)S1	REAL300003865197	1	39	-2.0	-124.00	356.27	8.78	-115.22
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2OC(C)CC2C)S1	REAL300003865204	1	39	-2.0	-128.88	328.20	6.72	-122.16
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2COCCN2CC(F)(F)F)S1	REAL300003865205	1	41	-2.0	-118.54	348.75	2.64	-115.90
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COCCC2=CC=CC(F)=C2)S1	REAL300003865223	1	42	-2.0	-124.09	379.09	8.42	-115.67
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COCC(C)C2=CC=CC=C2)S1	REAL300003865224	1	45	-2.0	-125.16	389.49	8.88	-116.28
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCC3=C(O)C=CC=C32)S1	REAL300003865227	1	43	-2.0	-125.67	360.32	7.00	-118.67
CCC1CCCCC1OCC(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003865228	1	48	-2.0	-128.62	389.24	8.59	-120.03
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CCS(=O)(=O)N2)S1	REAL300003865230	1	34	-2.0	-123.38	315.31	-0.15	-123.53
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(N3C=NN=N3)CCCCC2)S1	REAL300003865237	1	43	-2.0	-113.63	356.94	7.27	-106.36
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC=C3Cl)CCC2)S1	REAL300003865238	1	42	-2.0	-128.26	369.79	9.11	-119.15
CCN1C=CC(CC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=N1	REAL300003865248	1	38	-2.0	-132.33	340.18	5.88	-126.45
COC1=CC=C2CCCC(C(=O)[N-]C3=NC(C(=O)[O-])=C(C(C)C)S3)C2=C1	REAL300003865275	1	46	-2.0	-130.50	380.15	9.06	-121.44
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCS2(=O)=O)S1	REAL300003865279	1	35	-2.0	-134.13	317.16	3.40	-130.73
CC(C)OC1=CC=CC=C1C(F)(F)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003865281	0	45	-2.0	-128.44	392.63	8.30	-120.14
CC1=C(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)NC(=O)C2=CC=CC=C21	REAL300003865282	1	41	-2.0	-125.03	364.13	5.97	-119.06
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=C(Cl)C=C2)S1	REAL300003865283	1	38	-2.0	-119.29	350.27	8.31	-110.98
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)CC(F)(F)F)S1	REAL300003865303	1	37	-2.0	-115.14	324.56	6.40	-108.74
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2COCC2C2=CC=CC=C2)S1	REAL300003865304	1	43	-2.0	-127.65	367.62	7.07	-120.58
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C23CC2COC3(C)C)S1	REAL300003865306	1	40	-2.0	-124.54	332.79	6.20	-118.34
COC1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)CCC(F)(F)CC1	REAL300003865308	1	42	-2.0	-115.87	344.09	8.35	-107.52
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN2C=C(C3CC3)C=N2)S1	REAL300003865311	1	39	-2.0	-127.51	348.22	6.81	-120.70
CSC(C)(C)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003865315	1	35	-2.0	-124.92	314.03	5.84	-119.08
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(N3C=NN=N3)CC2)S1	REAL300003865317	1	34	-2.0	-111.85	314.12	5.23	-106.62
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C(F)(F)F)CCCCC2)S1	REAL300003865331	1	41	-2.0	-119.89	346.58	7.74	-112.15
CCCCC(C)(F)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003865332	1	40	-2.0	-120.30	343.63	7.06	-113.24
COC1=CC=CC=C1C(F)(F)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003865333	0	39	-2.0	-125.96	352.90	6.75	-119.21
COCCCN1N=C(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C=CC1=O	REAL300003865336	1	44	-2.0	-118.58	392.30	4.38	-114.20
COC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)C1CCOC1	REAL300003865341	1	40	-2.0	-124.71	343.63	4.54	-120.17
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CC2=NN(C(C)(C)C)N=N2)S1	REAL300003865342	1	42	-2.0	-128.95	369.99	4.83	-124.12
CC1=C(CC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)OC=C1	REAL300003865346	1	35	-2.0	-123.52	318.00	6.02	-117.50
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)N2C=CC=N2)S1	REAL300003865347	1	38	-2.0	-122.99	335.33	5.74	-117.25
COC1=CC=C(OC(C)(C)C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C=C1	REAL300003865348	1	46	-2.0	-123.82	382.71	7.26	-116.56
CC(C)CC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)C1=CC=C(Cl)C=C1	REAL300003865349	1	47	-2.0	-119.65	405.28	11.15	-108.50
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(N3C=NN=N3)CCOCC2)S1	REAL300003865351	1	41	-2.0	-116.37	351.29	4.17	-112.20
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)OC2=CC=CC=C2)S1	REAL300003865354	1	42	-2.0	-123.77	354.48	7.92	-115.85
CC1=CC=CC=C1C1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)CCC1	REAL300003865355	1	45	-2.0	-126.38	372.77	9.23	-117.15
COC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)C1CCCC1	REAL300003865363	1	42	-2.0	-127.64	345.81	7.70	-119.94
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CC3=CC=CC=C3CO2)S1	REAL300003865365	1	40	-2.0	-128.11	349.00	7.71	-120.40
COC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)C1CCCCC1	REAL300003865366	1	45	-2.0	-128.24	364.83	8.23	-120.01
CC[C@@H]1CCO[C@@H]1C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003865372	1	39	-2.0	-128.90	326.97	6.70	-122.20
COC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)C1=CC=C(F)C=C1	REAL300003865376	1	39	-2.0	-122.52	355.26	7.41	-115.11
CCCC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)C1=CC=CC(Cl)=C1	REAL300003865377	1	44	-2.0	-118.84	388.11	10.64	-108.20
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CC3=C(Cl)C=CC=C32)S1	REAL300003865378	1	36	-2.0	-122.09	338.39	8.33	-113.76
CC1=CC=C(COC(C)C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C=C1	REAL300003865383	1	45	-2.0	-127.98	392.57	9.01	-118.97
CCCC(OCC)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003865385	1	41	-2.0	-124.44	353.99	6.85	-117.59
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2COC3=CC(F)=CC=C3C2)S1	REAL300003865389	1	40	-2.0	-115.99	353.90	7.19	-108.80
CCOC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)C1CC1	REAL300003865390	1	39	-2.0	-126.13	339.61	7.41	-118.72
CC1=CC=CC=C1COC(C)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003865392	1	45	-2.0	-130.14	387.56	8.97	-121.17
CCC1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)CCC(F)(F)CC1	REAL300003865393	1	44	-2.0	-117.76	355.22	8.80	-108.96
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)[C@@H]2OCCO[C@@H]2C2=CC=CC=C2)S1	REAL300003865395	1	44	-2.0	-127.45	367.31	8.25	-119.20
CC1=CCC(C)(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)CC1	REAL300003865396	1	42	-2.0	-123.38	347.11	7.71	-115.67
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)[C@@H]2C[C@H]2OC(C)(C)C)S1	REAL300003865397	1	42	-2.0	-122.34	358.04	6.08	-116.26
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC=C3)CCCCCC2)S1	REAL300003865404	1	51	-2.0	-125.75	392.47	10.81	-114.94
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C(C)(F)F)CC2)S1	REAL300003865411	1	35	-2.0	-118.74	317.20	6.77	-111.97
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C(F)(F)F)CCOCC2)S1	REAL300003865412	1	39	-2.0	-116.32	338.17	5.37	-110.95
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COCC(F)F)S1	REAL300003865416	1	32	-2.0	-130.10	304.28	4.84	-125.26
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC(F)=CC(F)=C3)CCCC2)S1	REAL300003865418	1	45	-2.0	-126.37	384.38	9.98	-116.39
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CC2=CSC=N2)S1	REAL300003865426	1	31	-2.0	-126.00	300.12	4.42	-121.58
CCOC1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)CCOCC1	REAL300003865427	1	43	-2.0	-124.06	346.97	6.74	-117.32
COCC(OC)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003865437	1	36	-2.0	-120.88	323.62	3.57	-117.31
CCCC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)C1=CC=C(Cl)C=C1	REAL300003865445	1	44	-2.0	-119.44	388.12	10.65	-108.79
COC1=CC=CC(C(OC)C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=C1	REAL300003865447	1	43	-2.0	-126.91	378.53	6.62	-120.29
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CCC3=CC(F)=CC=C32)S1	REAL300003865456	1	39	-2.0	-119.46	345.34	8.39	-111.07
CC1=CC=CC=C1COCC(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003865458	1	42	-2.0	-129.37	367.33	8.26	-121.11
CC1=CC=CC(COCC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=C1	REAL300003865459	1	42	-2.0	-126.47	372.57	8.24	-118.23
CC1=CC=C(COCC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C=C1	REAL300003865460	1	42	-2.0	-126.28	372.57	8.25	-118.03
CCOC1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)CCC1	REAL300003865464	1	39	-2.0	-123.38	332.91	5.57	-117.81
COCC1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)CCCCC1	REAL300003865471	1	45	-2.0	-128.01	362.62	6.87	-121.14
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC=C3)CC2(C)C)S1	REAL300003865472	1	45	-2.0	-127.16	379.30	9.67	-117.49
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC(Cl)=C3)CC(C)C2)S1	REAL300003865473	1	45	-2.0	-126.71	391.44	10.76	-115.95
COC1=CC=C(C(=O)NC2=NC(C(=O)[O-])=C(C(C)C)S2)C([O-])=C1	REAL300003865474	1	37	-2.0	-139.25	330.01	6.48	-132.77
CCC1CCC(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)O1	REAL300003865476	1	39	-2.0	-128.51	334.93	6.37	-122.14
COC(C)(C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)C1=CC=CC=C1F	REAL300003865477	1	42	-2.0	-126.24	354.54	7.77	-118.47
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCOC2C)S1	REAL300003865478	1	39	-2.0	-125.85	322.98	5.88	-119.97
CCC(C)C(OC)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003865482	1	41	-2.0	-123.72	343.80	7.20	-116.52
COC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)C1CCC1	REAL300003865486	1	39	-2.0	-124.87	335.73	6.50	-118.37
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)S1	REAL300003865489	1	37	-2.0	-128.67	314.64	4.72	-123.95
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)[C@@H]2CC[C@H](CC3=CC=CC=C3)O2)S1	REAL300003865492	1	46	-2.0	-133.47	394.77	9.32	-124.15
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3CCCCO3)CCC2)S1	REAL300003865497	1	46	-2.0	-131.13	369.90	8.62	-122.51
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C([N+](=O)[O-])C=C3)CCC2)S1	REAL300003865498	1	44	-2.0	-120.31	381.99	10.28	-110.03
CC1=CN(CC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)N=C1C(F)(F)F	REAL300003865507	1	38	-2.0	-127.58	358.45	6.30	-121.28
CC1=NOC(C2(C(=O)[N-]C3=NC(C(=O)[O-])=C(C(C)C)S3)CCOCC2)=C1	REAL300003865514	1	45	-2.0	-119.02	378.05	6.19	-112.83
CCOC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)C(C)C	REAL300003865515	1	41	-2.0	-125.86	345.21	7.24	-118.62
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C23CC2CCCC3)S1	REAL300003865527	1	39	-2.0	-127.61	326.21	7.40	-120.21
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC=C3)CC3(CCC3)C2)S1	REAL300003865528	1	49	-2.0	-129.07	400.88	11.37	-117.70
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C(F)F)CCC2)S1	REAL300003865529	1	35	-2.0	-128.36	312.55	6.71	-121.65
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)C2CCCCO2)S1	REAL300003865530	1	45	-2.0	-121.05	361.85	6.52	-114.53
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2C(C)OC(C)C2C)S1	REAL300003865533	1	42	-2.0	-125.46	341.51	6.46	-119.00
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)[C@]23CCC[C@H]2OCC3)S1	REAL300003865534	1	40	-2.0	-124.74	333.71	5.35	-119.39
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(CC2=CC=CC=C2)C(C)C)S1	REAL300003865535	1	50	-2.0	-128.45	394.78	9.84	-118.61
CC1=CC=CC=C1C1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)CCCC1	REAL300003865536	1	48	-2.0	-134.33	376.93	9.85	-124.48
CCOC(C)(C)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003865543	1	38	-2.0	-126.88	324.98	5.68	-121.20
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C)COC3=CC=CC=C3O2)S1	REAL300003865549	1	41	-2.0	-127.29	358.38	6.46	-120.83
CC1=CN2C=C(CC(=O)[N-]C3=NC(C(=O)[O-])=C(C(C)C)S3)N=C2S1	REAL300003865550	1	38	-2.0	-138.10	355.10	7.88	-130.22
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C)CC3CCC2C3)S1	REAL300003865552	1	42	-2.0	-128.18	337.46	7.55	-120.63
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C)CCC(F)(F)CC2)S1	REAL300003865553	1	41	-2.0	-118.53	343.31	7.30	-111.23
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)N2C=CC(C(F)(F)F)=N2)S1	REAL300003865557	1	38	-2.0	-111.33	355.56	6.01	-105.32
CC1=CC=CC(COC(C)C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=C1	REAL300003865563	1	45	-2.0	-127.95	392.55	9.00	-118.95
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)S1	REAL300003865571	1	37	-2.0	-121.12	327.39	5.23	-115.89
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CC(C)OC2C)S1	REAL300003865574	1	39	-2.0	-122.73	327.88	5.02	-117.71
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CC3=CC=C(Cl)C=C32)S1	REAL300003865576	1	36	-2.0	-121.29	338.41	8.34	-112.95
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN2C=CC=CC2=O)S1	REAL300003865583	1	35	-2.0	-130.82	320.79	5.87	-124.95
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN2CCCCC2=O)S1	REAL300003865585	1	39	-2.0	-130.44	337.09	5.57	-124.87
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COCC2=CC=NN2C)S1	REAL300003865598	1	39	-2.0	-127.88	351.99	5.26	-122.62
CC1=CC(=O)N(CC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C=C1	REAL300003865600	1	38	-2.0	-131.29	342.24	6.52	-124.77
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC=CN=C2)S1	REAL300003865604	1	40	-2.0	-121.56	344.40	6.40	-115.16
CCOC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)C1CCOC1	REAL300003865609	1	43	-2.0	-125.80	358.98	5.61	-120.19
COC1=CC=CC(C(C)(C)C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=C1	REAL300003865611	1	45	-2.0	-130.54	378.81	7.50	-123.04
CCN1CCOCC1C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003865625	1	41	-2.0	-122.11	337.71	2.42	-119.69
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2COCCN2C2CCCC2)S1	REAL300003865627	1	48	-2.0	-126.04	379.56	4.41	-121.63
CCCC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)C1=CC=CC=N1	REAL300003865631	1	43	-2.0	-121.96	364.47	8.32	-113.64
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CN=C3)CCCC2)S1	REAL300003865633	1	44	-2.0	-126.30	365.70	8.00	-118.30
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CCC3=CC=CN=C32)S1	REAL300003865634	1	38	-2.0	-127.29	333.78	6.48	-120.81
CCOC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)C1CCOCC1	REAL300003865645	1	46	-2.0	-124.21	380.50	6.97	-117.24
CCOC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)C1CCCC1	REAL300003865646	1	45	-2.0	-127.47	374.60	7.98	-119.49
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)S1	REAL300003865652	1	40	-2.0	-130.20	332.37	6.37	-123.83
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(=O)C2=CC=C(F)C=C2)S1	REAL300003865655	0	34	-2.0	-116.01	318.86	6.46	-109.55
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C#N)CCOC2)S1	REAL300003865659	1	34	-2.0	-113.16	310.32	3.69	-109.47
CC1=NC=C(CC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)O1	REAL300003865660	1	34	-2.0	-123.39	314.03	2.85	-120.54
CCC1CCCC1(C)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003865661	1	44	-2.0	-127.05	353.75	8.64	-118.41
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)[C@]2(C3=CC=CC=C3)C[C@@H](F)C2)S1	REAL300003865662	1	42	-2.0	-120.96	366.63	9.01	-111.95
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(F)(F)C2=CC=C(C(C)(C)C)C=C2)S1	REAL300003865665	0	47	-2.0	-120.84	403.10	9.70	-111.14
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC=C(F)C=C2F)S1	REAL300003865671	1	41	-2.0	-125.61	358.01	8.23	-117.38
C=CCCCC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)C1=CC=CC=C1	REAL300003865672	1	48	-2.0	-125.83	410.28	10.54	-115.29
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C)OCCC3=CC=CC=C32)S1	REAL300003865673	1	43	-2.0	-126.11	362.47	7.10	-119.01
CC1=CC=C(Cl)C=C1OCC(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003865674	1	39	-2.0	-123.70	362.42	8.32	-115.38
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C23CC(C(C)(C)C)(C2)C3)S1	REAL300003865676	1	45	-2.0	-125.73	377.57	8.61	-117.12
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN2CCCCS2(=O)=O)S1	REAL300003865682	1	40	-2.0	-141.29	354.24	2.94	-138.35
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CCOC3=C(F)C=CC=C32)S1	REAL300003865686	1	40	-2.0	-120.61	347.95	7.92	-112.69
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN2N=C(C(F)F)C=C2C2CC2)S1	REAL300003865689	1	42	-2.0	-128.56	383.33	7.48	-121.08
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C)CC(F)(F)C2)S1	REAL300003865693	1	35	-2.0	-124.52	313.20	6.31	-118.21
CC(C)OC1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)CCC1	REAL300003865694	1	42	-2.0	-122.01	348.59	7.67	-114.34
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3CCCCO3)CCOCC2)S1	REAL300003865695	1	50	-2.0	-118.32	384.04	7.58	-110.74
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CC2=CSC(C3CCCC3)=N2)S1	REAL300003865703	1	44	-2.0	-125.51	387.10	7.48	-118.03
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CC2=CSC(C3CC3)=N2)S1	REAL300003865704	1	38	-2.0	-125.39	353.19	6.42	-118.97
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COC2CCC(C)CC2)S1	REAL300003865705	1	45	-2.0	-128.13	371.91	7.89	-120.24
C=C(C)[C@@H]1OCC[C@@H]1C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003865713	1	40	-2.0	-123.75	334.72	5.16	-118.59
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCCN2C)S1	REAL300003865716	1	40	-2.0	-123.94	331.25	4.36	-119.58
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN2CCOCC2)S1	REAL300003865718	1	38	-2.0	-120.21	323.07	2.25	-117.96
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)[C@@H]2CCO[C@H]2C2CC2)S1	REAL300003865721	1	40	-2.0	-121.40	341.36	6.02	-115.38
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)[C@@H]2[C@@H](C3=CC=CC=C3)C2(F)F)S1	REAL300003865725	1	39	-2.0	-122.02	354.54	8.67	-113.35
COC1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)CCCC1	REAL300003865728	1	39	-2.0	-124.01	326.55	5.07	-118.94
COC1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)CCSC1	REAL300003865747	1	37	-2.0	-121.08	327.46	4.75	-116.33
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3CC3)CCC2)S1	REAL300003865749	1	39	-2.0	-125.08	326.66	7.57	-117.51
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C23CC4CC(CC(C)(C4)C2)C3)S1	REAL300003865750	1	49	-2.0	-131.19	379.05	8.97	-122.22
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3CCCCC3)CC2)S1	REAL300003865751	1	45	-2.0	-126.85	363.89	8.99	-117.86
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C4OCCOC4=C3)CC2)S1	REAL300003865752	1	45	-2.0	-129.87	382.31	8.55	-121.32
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)[C@@H]2CCCCN2C)S1	REAL300003865758	1	40	-2.0	-123.95	331.25	4.37	-119.58
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2=CC3=C(CCOC3)NC2=O)S1	REAL300003865763	1	40	-2.0	-140.39	350.77	4.09	-136.30
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C)CCCS2(=O)=O)S1	REAL300003865766	1	38	-2.0	-131.24	336.47	3.32	-127.92
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C#N)CC3CCC2C3)S1	REAL300003865773	1	40	-2.0	-120.58	338.85	6.99	-113.59
CCOC1C(C)C1C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003865777	1	39	-2.0	-129.41	336.12	5.86	-123.55
CCCCC1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)CC1	REAL300003865782	1	41	-2.0	-126.02	350.27	8.03	-117.99
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)SC2=CC=C(F)C=C2)S1	REAL300003865786	1	39	-2.0	-120.83	365.38	8.52	-112.31
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(CCC3=CC=CC=C3)CC2)S1	REAL300003865804	1	45	-2.0	-129.63	390.45	10.01	-119.62
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C)CCOC3=CC=CC=C32)S1	REAL300003865806	1	43	-2.0	-122.61	359.76	7.52	-115.09
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC=C3)CCCO2)S1	REAL300003865807	1	43	-2.0	-127.52	366.80	7.41	-120.11
CC1=C(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C(C)N2N=CN=C2N1C	REAL300003865813	1	44	-2.0	-118.97	368.02	10.15	-108.82
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CCS(=O)(=O)C3=CC=CC=C32)S1	REAL300003865828	1	42	-2.0	-127.24	373.25	4.72	-122.52
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN2C=C(S(N)(=O)=O)C=N2)S1	REAL300003865841	1	37	-2.0	-126.75	353.27	-0.45	-127.20
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=C(S(N)(=O)=O)C=C2)S1	REAL300003865842	1	41	-2.0	-127.96	379.82	2.04	-125.92
CC1=C(C)NC(=O)C(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=N1	REAL300003865849	1	37	-2.0	-149.83	332.62	4.06	-145.77
CC1=C(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C=CC(=O)N1	REAL300003865851	1	35	-2.0	-114.77	315.00	4.28	-110.49
COCC(C)(C)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003865865	1	38	-2.0	-119.54	328.71	4.69	-114.85
CC1=CC=C2OC(C(=O)[N-]C3=NC(C(=O)[O-])=C(C(C)C)S3)CCC2=C1	REAL300003865866	1	43	-2.0	-130.04	370.44	8.87	-121.17
COC1=COC(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=CC1=O	REAL300003865870	1	35	-2.0	-121.84	325.43	4.59	-117.25
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCS2)S1	REAL300003865880	1	33	-2.0	-124.51	301.02	5.90	-118.61
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CCC(=O)C3=CC=CN32)S1	REAL300003865881	1	39	-2.0	-115.49	341.19	7.28	-108.21
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CNS(=O)(=O)C2=CN(C)C=N2)S1	REAL300003865888	1	40	-2.0	-128.79	374.79	2.05	-126.74
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(O)C(C)C)S1	REAL300003865893	1	38	-2.0	-120.48	319.19	3.05	-117.43
COCCC(C)(C)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003865900	1	41	-2.0	-126.24	345.00	5.05	-121.19
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(CC3=CC=CS3)CCCCC2)S1	REAL300003865901	1	48	-2.0	-126.20	390.95	10.98	-115.22
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2COCCN2CC(F)F)S1	REAL300003865914	1	41	-2.0	-119.34	351.40	3.08	-116.26
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(Br)C(C)(C)C)S1	REAL300003865917	1	37	-2.0	-117.19	327.60	6.43	-110.76
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2=CC=C(C(F)(F)F)NC2=O)S1	REAL300003865919	1	35	-2.0	-129.12	336.05	5.01	-124.11
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CNS(=O)(=O)C2=CC=CN=C2)S1	REAL300003865920	1	39	-2.0	-122.45	365.76	1.18	-121.27
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCN2CC2=CC=C(F)C=C2)S1	REAL300003865930	1	47	-2.0	-128.75	393.01	6.98	-121.77
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)N2C=NC=N2)S1	REAL300003865935	1	34	-2.0	-114.59	309.12	6.15	-108.44
CCCC(OC)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003865941	1	38	-2.0	-124.73	329.45	5.82	-118.91
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COCC2=CC=CC(Cl)=C2)S1	REAL300003865949	1	39	-2.0	-124.81	367.89	8.08	-116.73
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(CC3=CC=CC=C3)CCOCC2)S1	REAL300003865953	1	49	-2.0	-123.19	388.14	9.93	-113.26
C=CC(C)(CCOC)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003865963	1	42	-2.0	-127.44	353.39	6.00	-121.44
COC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)C1=CN(C)N=C1	REAL300003865964	1	39	-2.0	-128.61	352.47	5.08	-123.53
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)S(=O)(=O)C2CC2)S1	REAL300003865965	1	41	-2.0	-143.91	363.21	4.16	-139.75
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(O)C2CCCCC2)S1	REAL300003865970	1	42	-2.0	-120.06	345.13	6.22	-113.84
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CS(C)(=O)=O)S1	REAL300003865974	1	31	-2.0	-139.02	298.20	1.23	-137.79
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(O)CCC2=CC=CC=C2)S1	REAL300003865977	1	42	-2.0	-120.30	369.92	6.69	-113.61
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C)CCCCC2)S1	REAL300003865980	1	41	-2.0	-125.33	332.18	7.17	-118.16
CCOCCS(=O)(=O)NCC(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003865988	1	43	-2.0	-123.06	390.18	0.68	-122.38
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(O)CCOC2)S1	REAL300003865992	1	34	-2.0	-116.99	301.32	0.43	-116.56
CC1=C(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C(=O)NC2=CC=CC=C21	REAL300003865999	1	41	-2.0	-138.91	355.40	6.76	-132.15
CC1=NOC(C)=C1C(C)(C)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003866001	1	43	-2.0	-120.17	354.81	6.71	-113.46
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CN=C3)CC2)S1	REAL300003866004	1	38	-2.0	-122.49	332.72	7.60	-114.89
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)N(C)CC(F)(F)F)S1	REAL300003866006	1	39	-2.0	-123.02	339.60	4.40	-118.62
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(CO)C2=CC=CC=C2)S1	REAL300003866012	1	39	-2.0	-126.67	343.44	4.90	-121.77
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2=CC=C([O-])C(F)=C2)S1	REAL300003866014	1	33	-2.0	-112.03	308.97	5.68	-106.35
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(O)C2=CC=C(Cl)C=C2)S1	REAL300003866015	1	36	-2.0	-117.25	341.27	5.78	-111.47
CSCCC(O)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003866016	1	36	-2.0	-119.33	333.25	4.12	-115.21
CC(C)CC1=CC=C(C(C)C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C=C1	REAL300003866019	1	50	-2.0	-123.83	414.83	10.46	-113.37
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])S1	REAL300003866027	1	36	-2.0	-129.34	339.19	8.17	-121.17
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)NS(C)(=O)=O)S1	REAL300003866029	1	36	-2.0	-118.47	331.95	0.41	-118.06
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)[C@H](O)C2=CC=CC=C2Cl)S1	REAL300003866030	1	36	-2.0	-121.28	335.70	6.11	-115.17
CC1=NOC(CC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=C1	REAL300003866031	1	34	-2.0	-121.55	313.55	5.44	-116.11
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)[C@@H](C)OCC2=CC=CC=C2)S1	REAL300003866033	1	42	-2.0	-127.58	371.31	8.28	-119.30
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CNC2=CC=CC(C(F)(F)F)=C2)S1	REAL300003866037	1	40	-2.0	-116.99	368.32	6.55	-110.44
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)N2CCOCC2)S1	REAL300003866044	1	44	-2.0	-123.46	353.52	3.26	-120.20
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(O)C(C)(C)O)S1	REAL300003866048	1	36	-2.0	-122.25	312.96	0.65	-121.60
CCC(CC)(CO)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003866049	1	41	-2.0	-121.62	338.32	3.28	-118.34
CSCC(C)(C)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003866052	1	38	-2.0	-119.91	336.88	6.53	-113.38
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCCS2)S1	REAL300003866056	1	36	-2.0	-125.59	319.61	6.55	-119.04
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2=CSC(=O)N2)S1	REAL300003866058	1	29	-2.0	-113.27	290.05	2.46	-110.81
CCC(C)(OC)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003866059	1	38	-2.0	-127.45	321.65	5.41	-122.04
COC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)C(C)C	REAL300003866060	1	38	-2.0	-125.10	323.71	6.33	-118.77
CCC(C)(C)C(O)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003866061	1	41	-2.0	-119.84	332.88	5.41	-114.43
CSC1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)CCC1	REAL300003866062	1	36	-2.0	-122.00	324.35	6.70	-115.30
CSC1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)CC1	REAL300003866063	1	33	-2.0	-120.76	310.52	6.15	-114.61
COC(CC(C)C)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003866064	1	41	-2.0	-123.86	349.42	6.44	-117.42
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)C(F)F)S1	REAL300003866071	1	34	-2.0	-117.16	306.72	5.67	-111.49
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)CCC2=NN=N[N-]2)S1	REAL300003866073	0	33	-2.0	-107.04	306.40	3.77	-103.27
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)CCC2=N[N-]N=N2)S1	REAL300003866073	1	33	-2.0	-107.06	306.35	3.75	-103.31
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(O)CC2=CC=CC=C2)S1	REAL300003866077	1	42	-2.0	-121.25	363.74	5.27	-115.98
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=CN=C2)S1	REAL300003866078	1	38	-2.0	-125.63	339.02	5.96	-119.67
COCCCOCC(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003866083	1	39	-2.0	-125.96	346.42	4.40	-121.56
CCC(SC)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003866084	1	35	-2.0	-118.87	318.61	6.02	-112.85
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(O)CCSC2)S1	REAL300003866091	1	34	-2.0	-117.98	309.38	2.84	-115.14
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(O)C2=CC=C(Cl)C=C2F)S1	REAL300003866094	1	36	-2.0	-118.08	346.19	5.89	-112.19
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(O)C2=CC(Cl)=CC(Cl)=C2)S1	REAL300003866095	1	36	-2.0	-115.82	358.29	6.24	-109.58
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CC(C)CC3=CNN=C32)S1	REAL300003866103	1	42	-2.0	-132.49	356.73	6.08	-126.41
CC1=NOC(C2(C(=O)[N-]C3=NC(C(=O)[O-])=C(C(C)C)S3)CC2)=C1	REAL300003866104	1	38	-2.0	-118.67	340.40	7.43	-111.24
COC1=CC=C(CC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)N=C1	REAL300003866106	1	38	-2.0	-127.77	339.72	4.90	-122.87
CCS(=O)(=O)NC(C)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003866112	1	39	-2.0	-118.10	353.42	1.31	-116.79
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COC(C)(C)C)S1	REAL300003866114	1	38	-2.0	-125.24	325.55	5.66	-119.58
CCS(=O)(=O)NCC(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003866117	1	36	-2.0	-124.58	334.65	0.64	-123.94
CC(C)CC1=CC=C([C@H](C)C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C=C1	REAL300003866131	1	50	-2.0	-123.83	414.77	10.47	-113.36
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN2CCN(C3=CC=CC=N3)CC2)S1	REAL300003866140	1	48	-2.0	-124.30	398.30	4.98	-119.32
CCC(O)(C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)C1=CC=CC(Cl)=C1	REAL300003866146	1	42	-2.0	-119.25	373.75	6.32	-112.93
CCCC(C)(O)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003866147	1	38	-2.0	-119.89	325.99	3.07	-116.82
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)S1	REAL300003866155	0	39	-2.0	-109.33	364.20	3.78	-105.55
COC1=CC=CN=C1CC(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003866156	1	38	-2.0	-129.70	340.06	4.76	-124.94
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C2=CN=CN2C)N(C)C)S1	REAL300003866158	1	43	-2.0	-121.26	350.06	5.39	-115.87
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCC3=NN(C)C=C32)S1	REAL300003866160	1	42	-2.0	-124.31	356.63	7.02	-117.29
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(O)C2=CN(C)N=C2)S1	REAL300003866161	1	36	-2.0	-123.23	329.15	2.91	-120.32
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN2C=CC=NC2=O)S1	REAL300003866169	1	34	-2.0	-135.19	315.81	3.71	-131.48
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CC2=CSC(C3=NNC=N3)=N2)S1	REAL300003866173	1	37	-2.0	-137.95	357.16	5.30	-132.65
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CN(C)CCO2)S1	REAL300003866174	1	38	-2.0	-125.41	326.98	2.97	-122.44
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=C(S(C)(=O)=O)C=C2)S1	REAL300003866176	1	44	-2.0	-133.56	394.31	5.31	-128.25
CSC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)C1=CC=CC=C1	REAL300003866181	1	39	-2.0	-122.81	355.15	8.41	-114.40
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN2C=C(Cl)C=N2)S1	REAL300003866182	1	32	-2.0	-123.09	313.90	5.21	-117.88
COC1=CC=CC(C2(C(=O)[N-]C3=NC(C(=O)[O-])=C(C(C)C)S3)CC2)=C1	REAL300003866183	1	43	-2.0	-130.16	367.25	8.69	-121.47
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CNS(=O)(=O)N(C)C)S1	REAL300003866184	1	38	-2.0	-121.30	347.93	0.16	-121.14
CC1=CC=NN1CC(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003866185	1	35	-2.0	-124.41	318.68	5.14	-119.27
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2=CN=C(C3CC3)NC2=O)S1	REAL300003866190	1	38	-2.0	-136.03	345.00	5.52	-130.51
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C2=CC=C(Cl)C=C2)N(C)C)S1	REAL300003866191	1	43	-2.0	-120.63	383.69	6.94	-113.69
CC(C)CC1=CC=CC(C(C)C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=C1	REAL300003866196	1	50	-2.0	-123.51	414.77	10.46	-113.05
CCC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)N1CCOC(CC)C1	REAL300003866214	1	50	-2.0	-125.99	395.85	4.97	-121.02
CCN(CC(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)CC1=CC=CC=C1Cl	REAL300003866215	1	46	-2.0	-126.13	395.15	7.68	-118.45
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)CC(C)(C)C)S1	REAL300003866223	1	46	-2.0	-123.08	352.65	7.49	-115.59
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN(C)C2=NC3=CC=CC=C3S2)S1	REAL300003866225	1	42	-2.0	-130.09	384.17	8.32	-121.77
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)[C@@H](O)CC2=CC=CC=C2)S1	REAL300003866228	1	39	-2.0	-120.42	348.37	5.90	-114.52
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)[C@@H](O)C2=CC=CC=C2)S1	REAL300003866229	1	36	-2.0	-121.62	324.69	5.24	-116.38
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(O)C2=CC=CC(C(F)(F)F)=C2)S1	REAL300003866230	1	39	-2.0	-117.70	363.36	6.25	-111.45
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2=CN=CC([O-])=C2)S1	REAL300003866232	1	32	-2.0	-115.13	297.81	3.79	-111.34
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)[C@H](O)C2=CC=CC=C2)S1	REAL300003866233	1	36	-2.0	-121.42	324.55	5.26	-116.16
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(O)C2=CC=CN=C2)S1	REAL300003866237	1	35	-2.0	-121.53	319.73	3.43	-118.10
CC1=CC(C(F)(F)F)=NN1CC(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003866242	1	38	-2.0	-121.67	360.05	6.12	-115.55
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=CC(CO)=C2)S1	REAL300003866250	1	43	-2.0	-129.95	376.27	5.02	-124.93
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)C2=CN(C)C3=CC=CC=C23)S1	REAL300003866258	1	45	-2.0	-126.93	389.99	9.59	-117.34
CC1=NC2=CC=CC=C2N1CC(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003866261	1	41	-2.0	-125.47	364.58	8.10	-117.37
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)[C@H](NS(=O)(=O)C2CC2)C(C)C)S1	REAL300003866264	1	46	-2.0	-139.72	399.45	3.55	-136.17
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)C2OCCC3=C2C=CS3)S1	REAL300003866265	1	43	-2.0	-124.18	374.28	8.05	-116.13
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C#N)CCSCC2)S1	REAL300003866275	1	37	-2.0	-113.42	332.14	6.36	-107.06
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C4OCOC4=C3)CC2)S1	REAL300003866277	1	42	-2.0	-127.97	363.76	8.07	-119.90
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)[C@]23C[C@H]2COC32CCC2)S1	REAL300003866278	1	41	-2.0	-126.57	343.87	6.32	-120.25
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C)CCC3(CC2)OCCO3)S1	REAL300003866279	1	47	-2.0	-127.52	377.10	5.99	-121.53
CC1=NC(CC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=C(C)S1	REAL300003866283	1	37	-2.0	-125.49	342.17	5.60	-119.89
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C23CCC(CC2)C3)S1	REAL300003866287	1	39	-2.0	-127.25	325.20	7.07	-120.18
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CN(CC3=CC=CC=C3)CCO2)S1	REAL300003866288	1	48	-2.0	-125.71	403.28	6.52	-119.19
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C(F)(F)F)CCC2)S1	REAL300003866291	1	35	-2.0	-118.94	318.08	6.78	-112.16
COCCS(=O)(=O)CC(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003866292	1	38	-2.0	-134.72	353.34	1.20	-133.52
COC1=CC=CC(C(O)C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=C1	REAL300003866300	1	40	-2.0	-122.33	354.31	4.52	-117.81
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(CC3=CC=C(F)C=C3)CC2)S1	REAL300003866301	1	42	-2.0	-123.67	363.87	10.72	-112.95
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(CO)CCOCC2)S1	REAL300003866302	1	40	-2.0	-125.39	331.91	2.10	-123.29
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)C2CCCCC2)S1	REAL300003866305	1	47	-2.0	-125.84	365.50	8.30	-117.54
COCC1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)CCCC1	REAL300003866306	1	42	-2.0	-128.40	350.81	6.34	-122.06
COCC1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)CCOCC1	REAL300003866307	1	43	-2.0	-124.46	354.16	4.50	-119.96
COC1=CC=C2CCC(C(=O)[N-]C3=NC(C(=O)[O-])=C(C(C)C)S3)C2=C1	REAL300003866328	1	43	-2.0	-130.16	365.92	7.96	-122.20
COC1=CC=C2ON=C(CC(=O)[N-]C3=NC(C(=O)[O-])=C(C(C)C)S3)C2=C1	REAL300003866332	1	41	-2.0	-128.83	369.60	5.86	-122.97
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CC(C)(C)OC3=CC=CC=C32)S1	REAL300003866335	1	46	-2.0	-125.13	378.74	9.01	-116.12
CCC(C)(C)OCC(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003866337	1	41	-2.0	-126.03	342.38	6.31	-119.72
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)C2=CC3=CC=CC=C3C=C2)S1	REAL300003866339	1	44	-2.0	-125.81	379.52	10.03	-115.78
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC=C3OCOC3=C2)S1	REAL300003866340	1	44	-2.0	-128.94	375.34	6.86	-122.08
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(O)C2=CC=C(Cl)C=C2)S1	REAL300003866341	1	39	-2.0	-117.50	357.42	5.19	-112.31
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)N2CCSCC2)S1	REAL300003866343	1	41	-2.0	-120.81	347.97	5.03	-115.78
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])S1	REAL300003866346	0	40	-2.0	-136.03	369.87	6.96	-129.07
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN2N=NC3=C2CCCC3)S1	REAL300003866354	1	41	-2.0	-127.20	354.68	5.68	-121.52
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(S(N)(=O)=O)CC2)S1	REAL300003866355	1	34	-2.0	-118.67	316.70	1.21	-117.46
CC1=NN(CC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C=C1	REAL300003866361	1	35	-2.0	-128.77	318.75	5.27	-123.50
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C#N)CCCCC2)S1	REAL300003866362	1	39	-2.0	-117.79	334.19	6.65	-111.14
CCC(C#N)(CC)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003866363	1	38	-2.0	-118.08	328.39	6.02	-112.06
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C#N)CC(C)C2)S1	REAL300003866364	1	36	-2.0	-117.84	323.64	6.37	-111.47
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C#N)CC3(CC3)C2)S1	REAL300003866365	1	37	-2.0	-116.69	335.12	7.09	-109.60
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C#N)CCCOC2)S1	REAL300003866366	1	37	-2.0	-115.40	327.11	4.44	-110.96
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCCN2CC2=CC=NC=C2)S1	REAL300003866378	1	49	-2.0	-127.60	395.81	5.99	-121.61
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCCN2CC2=CC=CN=C2)S1	REAL300003866379	1	49	-2.0	-126.46	403.49	6.03	-120.43
CC1=NNC(C)=C1C(C)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003866380	1	41	-2.0	-124.50	346.81	5.14	-119.36
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CNC2=CC=CC=N2)S1	REAL300003866382	1	36	-2.0	-122.21	324.37	4.65	-117.56
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COCC2CCCC2)S1	REAL300003866387	1	42	-2.0	-125.45	356.61	7.26	-118.19
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)S1	REAL300003866392	0	38	-2.0	-139.13	343.10	7.80	-131.33
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C)CCC(=O)CC2)S1	REAL300003866397	1	40	-2.0	-118.20	334.71	6.25	-111.95
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)C2CCOCC2)S1	REAL300003866404	1	45	-2.0	-125.65	355.63	6.00	-119.65
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN(C)S(=O)(=O)N(C)C)S1	REAL300003866408	1	41	-2.0	-113.45	366.31	2.14	-111.31
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COC2CCOC2)S1	REAL300003866412	1	37	-2.0	-127.84	326.72	3.98	-123.86
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OCC2=CC=NC=C2)S1	REAL300003866418	1	41	-2.0	-126.45	366.27	6.51	-119.94
CCC1=CC=C(CC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)N=C1	REAL300003866422	1	40	-2.0	-129.03	353.08	7.04	-121.99
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C#N)CC23CCCC3)S1	REAL300003866434	1	40	-2.0	-120.30	351.68	7.66	-112.64
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C#N)CC3CCC2CC3)S1	REAL300003866435	1	43	-2.0	-120.28	351.80	7.61	-112.67
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CNC2=CC=CC(Cl)=C2)S1	REAL300003866441	1	37	-2.0	-116.88	346.30	6.06	-110.82
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CNS(=O)(=O)C2=CN(C)N=C2)S1	REAL300003866446	1	40	-2.0	-124.16	375.33	0.66	-123.50
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)N2CCC3=CC=CC=C3C2)S1	REAL300003866449	1	47	-2.0	-125.16	380.40	6.82	-118.34
CC1=CN=C(COCC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)O1	REAL300003866457	1	38	-2.0	-130.65	348.58	3.11	-127.54
COC(CC1=CC=CC=C1)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003866464	1	42	-2.0	-126.60	362.60	7.75	-118.85
CCC(CC)C(C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)N1CCOCC1	REAL300003866466	1	53	-2.0	-123.69	404.03	7.24	-116.45
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC=N3)CC2)S1	REAL300003866477	1	38	-2.0	-125.76	337.36	7.63	-118.13
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CS(=O)(=O)C2CC2)S1	REAL300003866478	1	35	-2.0	-137.89	328.89	2.99	-134.90
CC1=CC=C(C(C)C(O)C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C=C1	REAL300003866479	1	45	-2.0	-120.54	381.89	7.82	-112.72
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(O)C(C)C2=CC=CC=C2)S1	REAL300003866480	1	45	-2.0	-122.44	372.77	6.11	-116.33
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN2C=NC(N)=N2)S1	REAL300003866490	1	33	-2.0	-127.89	307.08	5.70	-122.19
C#CCN1CCC[C@H]1C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003866501	1	39	-2.0	-127.19	342.82	4.99	-122.20
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CCN(C)C3=CC=CC=C32)S1	REAL300003866505	1	44	-2.0	-127.00	362.08	7.77	-119.23
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)[C@@H](NCC(F)(F)F)C(C)C)S1	REAL300003866506	1	42	-2.0	-115.17	367.92	6.04	-109.13
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CN(C)CC(C)O2)S1	REAL300003866508	1	41	-2.0	-126.42	348.25	3.70	-122.72
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2=CN(C)C(=O)NC2=O)S1	REAL300003866509	1	35	-2.0	-124.02	322.43	3.20	-120.82
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2=CC(C(F)(F)F)=CNC2=O)S1	REAL300003866511	1	35	-2.0	-137.59	335.91	5.10	-132.49
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CC2=NN3C=CC=NC3=N2)S1	REAL300003866513	1	36	-2.0	-140.98	333.92	7.16	-133.82
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCN2CC2=CC=CC=N2)S1	REAL300003866514	1	46	-2.0	-131.38	385.53	5.08	-126.30
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)N2CCOCC2)S1	REAL300003866517	1	41	-2.0	-120.96	339.00	2.74	-118.22
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(OC2=CC=C(Cl)C=C2)C(C)C)S1	REAL300003866540	1	45	-2.0	-123.78	390.48	10.19	-113.59
CC1=CC=CC(C)=C1NCC(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003866543	1	43	-2.0	-122.28	369.11	7.08	-115.20
CCN1CCOC(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C1	REAL300003866547	1	41	-2.0	-125.33	345.11	3.76	-121.57
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CCSC3=CC=CC=C32)S1	REAL300003866550	1	40	-2.0	-124.78	353.85	8.63	-116.15
C=CCC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)C1=CC=CC=C1	REAL300003866552	1	42	-2.0	-123.86	366.41	9.06	-114.80
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CC2=NSC3=CC=CC=C32)S1	REAL300003866555	1	37	-2.0	-126.43	347.45	7.23	-119.20
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C23CC4CC(CC(F)(C4)C2)C3)S1	REAL300003866557	1	46	-2.0	-129.99	365.00	8.51	-121.48
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=C3OCOC3=C2)S1	REAL300003866562	1	41	-2.0	-121.69	359.67	6.45	-115.24
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC(F)=CC(F)=C2)S1	REAL300003866566	1	36	-2.0	-119.55	338.43	7.22	-112.33
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(O)CCCC(C)(C)C2)S1	REAL300003866574	1	45	-2.0	-123.92	359.25	5.18	-118.74
CC1=CC=CC(=O)N1CC(C)(O)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003866577	1	45	-2.0	-128.55	374.24	4.33	-124.22
CC1=CC(=O)N(CC(C)(O)C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C=C1	REAL300003866578	1	45	-2.0	-129.61	385.94	4.34	-125.27
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CC2=C3CCCCC3=NN2)S1	REAL300003866582	1	42	-2.0	-123.93	359.35	5.94	-117.99
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCC3=NNC=C32)S1	REAL300003866583	1	39	-2.0	-121.92	333.55	5.74	-116.18
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCN2C2=NC=CC=N2)S1	REAL300003866594	1	42	-2.0	-121.33	357.38	5.24	-116.09
COC1=CC=C([C@]2(C(=O)[N-]C3=NC(C(=O)[O-])=C(C(C)C)S3)C[C@H](O)C2)C=C1	REAL300003866602	1	47	-2.0	-124.09	399.86	4.79	-119.30
CC1=CN(C(C)(C)C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C=N1	REAL300003866603	1	41	-2.0	-121.92	354.88	7.51	-114.41
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C)CC(O)CN2C)S1	REAL300003866607	1	41	-2.0	-125.39	339.41	1.54	-123.85
COC1=CC(COCC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=CC=N1	REAL300003866610	1	42	-2.0	-126.75	378.25	4.29	-122.46
COC1=CC=C(COCC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C=N1	REAL300003866611	1	42	-2.0	-126.06	378.23	4.27	-121.79
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COCC2=CC(=O)NC=C2)S1	REAL300003866612	1	39	-2.0	-148.14	353.72	4.59	-143.55
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)[C@]2(C3=CC=CC=C3)C[C@H](O)C2)S1	REAL300003866616	1	43	-2.0	-131.32	362.56	7.28	-124.04
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)[C@@H]2CC[C@H](C(F)(F)F)O2)S1	REAL300003866622	1	36	-2.0	-126.51	332.22	5.91	-120.60
CNS(=O)(=O)CC(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003866628	1	33	-2.0	-130.84	313.10	-0.32	-131.16
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CS(=O)(=O)NC(C)(C)C)S1	REAL300003866629	1	42	-2.0	-132.36	360.92	1.83	-130.53
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)N2C=NC3=CC=CC=C32)S1	REAL300003866638	1	41	-2.0	-123.72	361.81	8.37	-115.35
CC1=CC(=O)C(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=CN1	REAL300003866640	1	35	-2.0	-143.23	319.14	5.37	-137.86
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2=CC(=O)NC3=CC=C(F)C=C32)S1	REAL300003866648	1	38	-2.0	-126.62	346.87	6.73	-119.89
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C)CCCCO2)S1	REAL300003866652	1	39	-2.0	-123.07	324.34	5.29	-117.78
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(O)C2CCOCC2)S1	REAL300003866661	1	40	-2.0	-119.86	336.68	3.08	-116.78
C#CCC1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)CCCCC1	REAL300003866666	1	43	-2.0	-125.90	353.68	8.92	-116.98
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)C2CCC(O)CC2)S1	REAL300003866667	1	48	-2.0	-126.98	373.51	5.19	-121.79
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(O)CCC2=CC=CC=C2)S1	REAL300003866670	1	45	-2.0	-121.84	385.89	6.09	-115.75
COC1CCCCC1C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003866671	1	42	-2.0	-126.04	349.69	6.80	-119.24
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)S1	REAL300003866682	0	33	-2.0	-105.52	324.97	6.23	-99.29
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(O)CCSCC2)S1	REAL300003866684	1	37	-2.0	-118.10	325.72	3.68	-114.42
CC1=CC=CC2=C1OC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)C2	REAL300003866689	1	40	-2.0	-129.72	352.44	8.07	-121.65
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C)CCC3=CC=CC=C3C2)S1	REAL300003866691	1	45	-2.0	-125.60	371.32	9.22	-116.38
COC1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)CCOCC1	REAL300003866698	1	40	-2.0	-118.92	329.52	3.17	-115.75
COC1=C(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)NC(=O)NC1=O	REAL300003866700	1	36	-2.0	-112.70	333.02	1.98	-110.72
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CSC=C2)S1	REAL300003866710	1	33	-2.0	-124.40	316.42	6.06	-118.34
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=CC=N2)S1	REAL300003866714	1	38	-2.0	-129.45	342.96	5.43	-124.02
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(NC3=CC=CC=C3)CC2)S1	REAL300003866716	1	41	-2.0	-125.43	359.47	6.89	-118.54
CCCCS(=O)(=O)NCC(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003866718	1	42	-2.0	-124.10	377.64	2.22	-121.88
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OCC2=CC=C(F)C=C2)S1	REAL300003866724	1	42	-2.0	-125.06	377.57	8.40	-116.66
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCN2C2=CC=CC=C2)S1	REAL300003866731	1	44	-2.0	-117.91	364.01	6.65	-111.26
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN2C=CC(C(F)F)=N2)S1	REAL300003866737	1	35	-2.0	-130.84	331.51	5.53	-125.31
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)N2N=NN=C2C(C)(C)C)S1	REAL300003866738	1	45	-2.0	-128.27	379.30	5.57	-122.70
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN2C=NC3=CC=CC=C32)S1	REAL300003866741	1	38	-2.0	-124.12	344.34	8.30	-115.82
CCC1=NC2=CC=CC=C2N1CC(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003866742	1	44	-2.0	-125.78	382.96	8.65	-117.13
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(NS(C)(=O)=O)C(C)C)S1	REAL300003866743	1	42	-2.0	-118.52	365.37	2.47	-116.05
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)N2CCC3=CC=CC=C32)S1	REAL300003866744	1	44	-2.0	-124.83	365.29	6.88	-117.95
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC=CC=N2)S1	REAL300003866749	1	40	-2.0	-123.71	346.39	6.77	-116.94
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(O)C2=CC=CC=C2)S1	REAL300003866754	1	36	-2.0	-121.47	324.53	5.27	-116.20
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2=CNC(=O)C=C2)S1	REAL300003866758	1	32	-2.0	-115.97	298.86	3.66	-112.31
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=CC=C2O)S1	REAL300003866759	1	37	-2.0	-129.25	336.29	4.78	-124.47
CC1=CC=C(S(=O)(=O)NCC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C=C1	REAL300003866761	1	43	-2.0	-122.96	392.19	3.64	-119.32
CCN(CC(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)C1=CC=CC=C1	REAL300003866768	1	43	-2.0	-123.69	364.11	8.33	-115.36
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COC2CCOCC2)S1	REAL300003866782	1	40	-2.0	-125.69	344.34	4.80	-120.89
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OCCC2=CC=CC=C2)S1	REAL300003866785	1	45	-2.0	-126.30	392.87	9.05	-117.25
CC(C)CC1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)CCCC1	REAL300003866789	1	47	-2.0	-125.63	365.80	8.95	-116.68
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(S(C)(=O)=O)CC2)S1	REAL300003866791	1	35	-2.0	-122.38	327.06	3.02	-119.36
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C2=CC=CN=C2)C(C)C)S1	REAL300003866793	1	43	-2.0	-125.35	363.14	8.06	-117.29
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN2C=NC(C3=CC=CC=C3)=N2)S1	REAL300003866797	1	41	-2.0	-133.34	372.81	9.00	-124.34
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)CCCC2=NN=N[N-]2)S1	REAL300003866799	0	36	-2.0	-121.38	327.90	4.55	-116.83
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL300003866799	1	36	-2.0	-121.39	327.85	4.53	-116.86
CC(=O)C1=CN(CC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)N=N1	REAL300003866804	1	36	-2.0	-124.22	337.30	3.76	-120.46
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN2C=C(C(C)O)N=N2)S1	REAL300003866812	1	38	-2.0	-128.80	344.09	1.40	-127.40
CC1=C(C(C)C)N=C(CC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)S1	REAL300003866814	1	43	-2.0	-125.74	383.99	7.00	-118.74
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CC2=CSC(N3CCOCC3)=N2)S1	REAL300003866816	1	44	-2.0	-126.29	389.56	4.05	-122.24
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CC2=NC(C3=CC=CC=C3)=CS2)S1	REAL300003866818	1	41	-2.0	-127.14	379.80	7.98	-119.16
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CC2=NN=C(C3=CC=CC=C3)N2C)S1	REAL300003866821	1	44	-2.0	-132.33	385.21	8.59	-123.74
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=NC=C2)S1	REAL300003866823	1	37	-2.0	-120.53	328.84	6.03	-114.50
CC1=C(C2=CC=CO2)N=C(CC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)S1	REAL300003866824	1	41	-2.0	-128.21	383.92	6.84	-121.37
CCCOC1=CC=NC(CC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=N1	REAL300003866825	1	43	-2.0	-126.72	382.36	4.48	-122.24
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=NC=CS2)S1	REAL300003866827	1	37	-2.0	-127.26	338.98	5.55	-121.71
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2=CC=C([O-])C(Cl)=C2)S1	REAL300003866836	0	33	-2.0	-108.36	318.76	6.17	-102.19
CCOC1=CC(C(=O)NC2=NC(C(=O)[O-])=C(C(C)C)S2)=CC(Cl)=C1[O-]	REAL300003866839	1	40	-2.0	-109.21	369.81	7.21	-102.00
COC1=CC=C(Cl)C=C1NCC(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003866841	1	41	-2.0	-120.59	374.61	5.48	-115.11
COCC(C)(O)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003866861	1	36	-2.0	-116.90	320.36	1.22	-115.68
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=C(Cl)C(F)=C2)S1	REAL300003866869	1	36	-2.0	-119.18	348.19	7.65	-111.53
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=NC(C(=O)[O-])=C(C(C)C)S2)=CO1	REAL300003866872	1	37	-2.0	-116.95	354.73	1.42	-115.53
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CC2=NN(C)C=C2)S1	REAL300003866873	1	35	-2.0	-131.56	318.73	5.01	-126.55
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CSCCS2)S1	REAL300003866888	1	34	-2.0	-122.31	320.39	6.30	-116.01
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CC2=CSC(C3=CC=CC=N3)=N2)S1	REAL300003866890	1	40	-2.0	-140.40	375.80	6.33	-134.07
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C(C)C)N2CC(C)OC(C)C2)S1	REAL300003866897	1	53	-2.0	-123.04	415.27	6.61	-116.43
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CCC(=O)C3=CC=CC=C32)S1	REAL300003866902	1	41	-2.0	-122.20	356.26	7.96	-114.24
COC(=CC1=CC=CC=C1)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003866907	1	40	-2.0	-125.25	353.50	7.91	-117.34
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C)CC=CCC2)S1	REAL300003866910	1	39	-2.0	-122.50	326.54	7.10	-115.40
CC1=NNC(CC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=C1	REAL300003866916	1	35	-2.0	-120.37	318.53	4.15	-116.22
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3CCCCC3)CCCCC2)S1	REAL300003866932	1	54	-2.0	-122.89	395.07	11.88	-111.01
CC1=CC(C)=NC(=O)N1CC(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003866934	1	40	-2.0	-136.93	354.67	4.78	-132.15
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=C(C(F)(F)F)C=C2)S1	REAL300003866935	1	41	-2.0	-118.63	372.27	8.80	-109.83
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CSC(C3=CC=CC=C3O)=N2)S1	REAL300003866938	1	41	-2.0	-126.98	377.07	4.15	-122.83
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CNC2=CC=C(S(C)(=O)=O)C=C2)S1	REAL300003866943	1	43	-2.0	-123.40	390.24	3.07	-120.33
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)[C@H](C)OC2=CC=C(Cl)C=C2)S1	REAL300003866951	1	39	-2.0	-122.80	359.95	8.22	-114.58
CC1=NN(CC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C=C1C1=CC=CC=C1	REAL300003866954	1	45	-2.0	-129.70	396.28	8.81	-120.89
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(OC2=CC=CC=C2)C(C)(C)O)S1	REAL300003866955	1	46	-2.0	-134.67	383.88	6.73	-127.94
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)S1	REAL300003866964	0	41	-2.0	-120.59	367.04	10.13	-110.46
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)S1	REAL300003866964	1	41	-2.0	-120.61	366.99	10.15	-110.46
CC(C)C[C@H](NCC(F)(F)F)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003866965	1	45	-2.0	-121.25	386.00	6.37	-114.88
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CCC(C)(C)O2)S1	REAL300003866968	1	39	-2.0	-128.61	334.27	6.21	-122.40
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(N3CCOCC3)CC2)S1	REAL300003866971	1	42	-2.0	-123.49	350.19	4.65	-118.84
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(OC3=CC=C(Cl)C=C3)CC2)S1	REAL300003866973	1	40	-2.0	-117.52	371.80	9.08	-108.44
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CC2=NN(C(C)C)C=C2)S1	REAL300003866975	1	41	-2.0	-132.78	358.95	6.41	-126.37
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COCC2=NC3=CC=CC=C3S2)S1	REAL300003866982	1	41	-2.0	-132.20	382.83	7.00	-125.20
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN(C)C2=CC=CC=C2)S1	REAL300003866992	1	40	-2.0	-124.05	347.23	7.47	-116.58
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2COCCN2C)S1	REAL300003867000	1	38	-2.0	-121.21	323.31	1.96	-119.25
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2=CC(=O)NN=C2)S1	REAL300003867009	1	31	-2.0	-116.24	294.13	2.23	-114.01
CC(C)CC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)N1C=CN=C1	REAL300003867011	1	44	-2.0	-119.25	375.98	8.69	-110.56
CCC1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)CCOCC1	REAL300003867028	1	42	-2.0	-121.15	335.81	6.33	-114.82
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)S1	REAL300003867038	0	36	-2.0	-97.82	338.48	4.33	-93.49
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300003867038	1	36	-2.0	-97.93	338.41	4.33	-93.60
CC[C@@H]1OCC[C@H]1C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003867072	1	39	-2.0	-119.70	333.98	5.12	-114.58
CC1=CC=CC=C1C(C)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003867073	1	41	-2.0	-124.77	349.64	8.33	-116.44
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C)C(C)(C)C2(C)C)S1	REAL300003867080	1	44	-2.0	-126.84	350.80	7.40	-119.44
CCC1=NOC(COCC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=N1	REAL300003867081	1	40	-2.0	-128.13	364.23	3.78	-124.35
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C23CCOC2CCCC3)S1	REAL300003867092	1	43	-2.0	-128.13	343.47	6.47	-121.66
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)S1	REAL300003867093	1	49	-2.0	-130.21	402.28	4.05	-126.16
CC1=NN(CC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C2=NC=CC=C12	REAL300003867097	1	40	-2.0	-136.33	362.25	6.62	-129.71
CCCOC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)C1=CC=C(F)C=C1C	REAL300003867098	1	48	-2.0	-123.23	411.61	10.27	-112.96
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2COC3=C(F)C=C(F)C=C3C2)S1	REAL300003867102	1	40	-2.0	-114.79	360.04	7.25	-107.54
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CCC3=CNN=C32)S1	REAL300003867107	1	36	-2.0	-127.26	318.32	4.73	-122.53
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)[C@]23CCO[C@@H]2CCCCC3)S1	REAL300003867110	1	46	-2.0	-124.99	344.82	6.71	-118.28
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C23CCC(C)(CC2)OC3)S1	REAL300003867111	1	43	-2.0	-123.57	351.27	6.00	-117.57
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C)CCC(C)CC2)S1	REAL300003867112	1	44	-2.0	-126.28	352.85	7.79	-118.49
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCC3=CNN=C32)S1	REAL300003867114	1	39	-2.0	-132.08	335.93	5.47	-126.61
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CC2=CN(C)N=N2)S1	REAL300003867119	1	34	-2.0	-135.31	312.74	3.80	-131.51
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)C2=CC(F)=CC(F)=C2)S1	REAL300003867124	1	38	-2.0	-118.28	346.35	7.93	-110.35
COC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)C1=CC(F)=CC(F)=C1	REAL300003867128	1	39	-2.0	-120.35	361.77	7.47	-112.88
CC[C@H](C)[C@H](O)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003867130	1	38	-2.0	-118.70	321.46	5.00	-113.70
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)[C@H](C)N2C=NN=N2)S1	REAL300003867138	1	33	-2.0	-109.36	302.87	3.92	-105.44
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CS3)CC2)S1	REAL300003867141	1	36	-2.0	-123.45	331.33	8.40	-115.05
CCC(C)(COCC1=CC=CC=C1)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003867142	1	51	-2.0	-122.43	426.40	9.20	-113.23
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3CCOCC3)CC2)S1	REAL300003867143	1	43	-2.0	-128.63	354.86	6.58	-122.05
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C)CC3CCC(C2)S3)S1	REAL300003867144	1	43	-2.0	-128.67	348.49	7.92	-120.75
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C)CC3CCC(C2)S3(=O)=O)S1	REAL300003867145	1	45	-2.0	-109.51	355.55	4.31	-105.20
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)[C@@H]2CCO[C@H]2C(F)(F)F)S1	REAL300003867146	1	36	-2.0	-116.21	329.68	4.74	-111.47
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(O)C2=CC=CC3=C2OCC3)S1	REAL300003867148	1	41	-2.0	-127.69	360.03	5.14	-122.55
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COC2(C)CCCC2)S1	REAL300003867152	1	42	-2.0	-126.73	350.21	6.99	-119.74
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2COC3=CC(Cl)=CC=C3C2)S1	REAL300003867155	1	40	-2.0	-116.32	364.22	7.64	-108.68
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)[C@@H]2[C@H]3CCCO[C@H]32)S1	REAL300003867156	1	37	-2.0	-123.39	318.71	5.08	-118.31
COC1CCCC1C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003867170	1	39	-2.0	-129.31	331.72	5.30	-124.01
CC(=O)N1CSC[C@@H]1C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003867178	1	37	-2.0	-130.78	334.15	5.85	-124.93
COCC1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)CCCCO1	REAL300003867181	1	43	-2.0	-127.03	356.80	4.71	-122.32
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(O)C2CCCCCCC2)S1	REAL300003867186	1	48	-2.0	-122.81	368.95	6.24	-116.57
CCN1C=C([C@@H]2OCC[C@H]2C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C=N1	REAL300003867190	1	46	-2.0	-122.48	395.17	6.03	-116.45
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)[C@@H]2CCO[C@H]2C2=CN(C)N=C2)S1	REAL300003867191	1	43	-2.0	-122.29	373.60	5.16	-117.13
CC1=C([C@@H]2OCC[C@H]2C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C=NN1C	REAL300003867192	1	46	-2.0	-121.25	390.86	5.60	-115.65
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)[C@@H]2CCCO[C@H]2C2=CC=NN2C)S1	REAL300003867194	1	46	-2.0	-122.75	379.65	6.03	-116.72
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN2N=NN=C2C2=CC=CC=C2)S1	REAL300003867197	1	40	-2.0	-124.95	358.92	6.10	-118.85
COC12CCC(C(=O)[N-]C3=NC(C(=O)[O-])=C(C(C)C)S3)(CC1)CC2	REAL300003867210	1	46	-2.0	-123.27	364.84	6.35	-116.92
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)[C@@H]2CCO[C@H]2C2=CC=NN2C(C)C)S1	REAL300003867211	1	49	-2.0	-120.22	411.44	6.55	-113.67
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CC2=NOC(C3CC3)=C2)S1	REAL300003867212	1	38	-2.0	-130.17	344.50	7.02	-123.15
CC1=NC=C([N+](=O)[O-])N1CC(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003867220	1	37	-2.0	-122.34	344.20	7.53	-114.81
COC1=CC(=O)NC=C1C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003867222	1	36	-2.0	-120.06	326.93	3.56	-116.50
CCCCS(=O)(=O)CC(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003867224	1	40	-2.0	-138.78	362.66	3.71	-135.07
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COC2CCCCCC2)S1	REAL300003867225	1	45	-2.0	-125.24	365.52	7.67	-117.57
COC1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)CCCCCC1	REAL300003867227	1	45	-2.0	-123.84	352.70	6.66	-117.18
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CC2=NN(CC(F)(F)F)C=C2)S1	REAL300003867229	1	38	-2.0	-132.41	358.06	6.39	-126.02
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)C(F)C2=CC=CC=C2)S1	REAL300003867234	1	44	-2.0	-127.92	371.01	8.88	-119.04
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(O)CC(C3=CC=CC=C3)C2)S1	REAL300003867243	1	43	-2.0	-124.31	370.29	5.95	-118.36
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN2N=CC=C2C2=CC=CC=C2)S1	REAL300003867251	1	42	-2.0	-130.87	368.13	7.67	-123.20
CC1=CN=C2C(=C1)C=NN2CC(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003867257	1	40	-2.0	-134.16	361.71	6.67	-127.49
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COC2(C)CCOCC2)S1	REAL300003867269	1	43	-2.0	-126.24	356.46	5.21	-121.03
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CS3)CC3(CCC3)C2)S1	REAL300003867273	1	46	-2.0	-126.70	393.91	10.41	-116.29
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CN(C)N=C3)CCCO2)S1	REAL300003867280	1	43	-2.0	-127.31	370.88	5.08	-122.23
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN2CCCC3(CC3)S2(=O)=O)S1	REAL300003867290	1	44	-2.0	-143.02	385.30	4.37	-138.65
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3CCCO3)CCCO2)S1	REAL300003867296	1	44	-2.0	-127.02	359.29	6.42	-120.60
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C#N)CC=CC2)S1	REAL300003867305	1	34	-2.0	-117.08	311.23	6.17	-110.91
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC=C3)CCCCO2)S1	REAL300003867306	1	46	-2.0	-126.34	378.89	8.22	-118.12
CC1=CC(COCC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=NO1	REAL300003867315	1	38	-2.0	-123.70	347.35	5.74	-117.96
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=CC=N2)S1	REAL300003867322	1	35	-2.0	-128.51	323.11	4.52	-123.99
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN2CCC(CO)CC2)S1	REAL300003867324	1	44	-2.0	-126.10	363.64	1.97	-124.13
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2=C[N-]N=CC2=O)S1	REAL300003867325	0	31	-2.0	-100.18	289.92	4.22	-95.96
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)CC2=CC=C(O)C=C2)S1	REAL300003867326	1	45	-2.0	-123.44	380.69	6.02	-117.42
CC1=CC=CC=C1C(C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)C1=CC=CC=C1	REAL300003867327	1	48	-2.0	-130.25	403.19	11.02	-119.23
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)C2CCCO2)S1	REAL300003867328	1	42	-2.0	-119.64	345.08	5.71	-113.93
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C23CCC(CC2)C3(C)C)S1	REAL300003867335	1	45	-2.0	-127.90	351.42	7.80	-120.10
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C(C)(F)F)CCOCC2)S1	REAL300003867337	1	42	-2.0	-117.25	345.59	6.40	-110.85
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3CCCO3)CCC2)S1	REAL300003867338	1	43	-2.0	-129.80	352.06	7.53	-122.27
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3CCCCO3)CCCO2)S1	REAL300003867339	1	47	-2.0	-131.47	378.56	6.91	-124.56
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(O)C2=CC=CC(Cl)=C2)S1	REAL300003867345	1	36	-2.0	-118.07	341.54	5.74	-112.33
CCC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)C1=CC=CC(Cl)=C1	REAL300003867346	1	41	-2.0	-118.37	366.63	9.88	-108.49
CC1=CC=C2SC(C(=O)[N-]C3=NC(C(=O)[O-])=C(C(C)C)S3)CC2=C1	REAL300003867347	1	40	-2.0	-125.08	361.09	8.76	-116.32
COCC1=NC=C(C(=O)NC2=NC(C(=O)[O-])=C(C(C)C)S2)C(=O)[N-]1	REAL300003867359	1	38	-2.0	-106.95	344.14	2.89	-104.06
COCC1=NC=C(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C(=O)N1	REAL300003867359	1	38	-2.0	-137.90	347.15	3.14	-134.76
CC1=CC=C(C)C(C(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C(C)C)=C1	REAL300003867366	1	50	-2.0	-125.67	406.63	11.10	-114.57
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COCCC2=CC=C(Cl)S2)S1	REAL300003867370	1	39	-2.0	-121.97	379.93	8.06	-113.91
CCC(F)(F)C(C)(C)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003867374	1	40	-2.0	-130.80	340.04	6.81	-123.99
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COCCC2=CC=CS2)S1	REAL300003867375	1	39	-2.0	-123.98	362.88	7.45	-116.53
COC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)C1CCCOC1	REAL300003867376	1	43	-2.0	-124.75	354.41	5.77	-118.98
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCNS2(=O)=O)S1	REAL300003867384	1	37	-2.0	-132.27	333.34	0.64	-131.63
CC1=CC=CC=C1C(C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)C1CCCC1	REAL300003867391	1	51	-2.0	-126.72	409.53	11.68	-115.04
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=CC(C(F)(F)F)=C2)S1	REAL300003867396	1	41	-2.0	-117.86	372.36	8.78	-109.08
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C)CC(C)(C)C2)S1	REAL300003867401	1	41	-2.0	-126.49	337.89	7.06	-119.43
CSC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)C(C)C	REAL300003867407	1	38	-2.0	-122.84	328.97	6.39	-116.45
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2=CN=C(C3CCC3)NC2=O)S1	REAL300003867408	1	41	-2.0	-135.50	361.16	6.00	-129.50
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=C(F)C=C2)S1	REAL300003867413	1	38	-2.0	-119.29	339.94	7.86	-111.43
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCC3=NC=NN32)S1	REAL300003867414	1	38	-2.0	-126.33	331.74	6.90	-119.43
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)OCC(F)(F)F)S1	REAL300003867416	1	38	-2.0	-126.58	344.54	6.15	-120.43
CCOC1=CC=C(CC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)N=C1	REAL300003867419	1	41	-2.0	-127.93	361.58	5.82	-122.11
COCC1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)CCCO1	REAL300003867421	1	40	-2.0	-128.81	344.34	3.96	-124.85
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C23CCC(CC2)C3(C)C)S1	REAL300003867423	1	45	-2.0	-127.90	351.42	7.80	-120.10
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(O)C2=CC=C(C3CC3)C=C2)S1	REAL300003867424	1	43	-2.0	-122.02	374.03	7.34	-114.68
C#CC1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)CCCC1	REAL300003867427	1	37	-2.0	-125.09	325.56	7.09	-118.00
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=NN(C)C=C2)S1	REAL300003867429	1	41	-2.0	-126.75	356.31	6.11	-120.64
CC1=CN(C(C)C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)N=C1	REAL300003867430	1	38	-2.0	-118.63	336.10	5.71	-112.92
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)[C@@H]2CSC(C3=CC=CC=C3)=N2)S1	REAL300003867432	1	40	-2.0	-128.52	368.33	6.48	-122.04
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(N3C=CN=N3)CC2)S1	REAL300003867434	1	35	-2.0	-116.14	319.29	5.01	-111.13
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C23CCC(CC2)CC3)S1	REAL300003867435	1	42	-2.0	-127.98	339.20	7.63	-120.35
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CC2=CC=NN2C)S1	REAL300003867448	1	35	-2.0	-121.27	316.89	4.76	-116.51
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C)CC3=CC=CC=C3C2)S1	REAL300003867457	1	42	-2.0	-125.49	358.27	8.88	-116.61
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=C(F)C(Cl)=C2)S1	REAL300003867458	1	38	-2.0	-120.16	356.12	8.35	-111.81
CCC(=O)N1CSC[C@H]1C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003867468	1	40	-2.0	-131.44	356.28	6.50	-124.94
CC1=CC(F)=CC=C1C(O)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003867473	1	39	-2.0	-117.16	344.17	6.43	-110.73
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C#N)CC23CCOCC3)S1	REAL300003867475	1	41	-2.0	-118.00	355.11	5.93	-112.07
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)[C@@H]2CCO[C@H]2C2=CC=CN=C2)S1	REAL300003867476	1	42	-2.0	-122.58	364.96	5.64	-116.94
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C#N)CC23CCC3)S1	REAL300003867478	1	37	-2.0	-118.88	334.32	7.25	-111.63
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C(F)(F)F)CC3(CCC3)C2)S1	REAL300003867479	1	42	-2.0	-121.61	364.84	8.58	-113.03
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(F)(F)C2=CC=CN=C2)S1	REAL300003867480	0	34	-2.0	-118.14	321.80	5.58	-112.56
CCC(O)(C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)C1=CC=CC=C1	REAL300003867483	1	42	-2.0	-121.82	356.89	5.83	-115.99
CC(=O)N1CSC[C@H]1C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003867495	1	37	-2.0	-130.57	333.95	5.84	-124.73
COC1=CC=CC2=C1CC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)CO2	REAL300003867496	1	44	-2.0	-126.67	375.82	6.47	-120.20
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2=C3CCCC3=NNC2=O)S1	REAL300003867507	1	38	-2.0	-132.66	334.97	4.49	-128.17
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C23OC4C5COCC4C2C53)S1	REAL300003867514	1	40	-2.0	-131.73	340.09	4.33	-127.40
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3CCCO3)CCOCC2)S1	REAL300003867515	1	47	-2.0	-123.02	368.29	7.76	-115.26
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C23CC(C)(C2)OC3(C)C)S1	REAL300003867522	1	43	-2.0	-120.70	354.36	5.82	-114.88
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)N2C=NN=N2)S1	REAL300003867523	1	36	-2.0	-118.36	324.00	4.67	-113.69
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CN=CN=C2)S1	REAL300003867524	1	39	-2.0	-121.36	339.43	6.14	-115.22
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3CCCO3)CCCC2)S1	REAL300003867525	1	46	-2.0	-122.20	369.03	7.10	-115.10
COCC1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)CC=CC1	REAL300003867526	1	40	-2.0	-125.26	343.01	6.21	-119.05
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN2N=NC(C(C)(C)C)=N2)S1	REAL300003867538	1	42	-2.0	-124.85	370.75	4.87	-119.98
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)[C@@H]2CCO[C@H]2C2=NC=CN2C)S1	REAL300003867554	1	43	-2.0	-120.62	370.55	5.56	-115.06
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)[C@@H]2[C@@H](C)C2(F)F)S1	REAL300003867557	1	32	-2.0	-119.82	299.95	5.82	-114.00
COC1=CC=C(C(C)C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C=C1F	REAL300003867558	1	42	-2.0	-119.47	369.34	7.16	-112.31
COC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)C1CC(F)(F)C1	REAL300003867559	1	39	-2.0	-121.24	350.83	6.63	-114.61
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COC2CCCOC2)S1	REAL300003867560	1	40	-2.0	-123.63	344.24	4.81	-118.82
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COCC2=NC(C3CC3)=NO2)S1	REAL300003867561	1	41	-2.0	-128.88	374.12	4.68	-124.20
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(O)C2=CC=C(C(F)(F)F)C=C2)S1	REAL300003867566	1	39	-2.0	-116.44	363.36	6.26	-110.18
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(O)C2=CC=CC=C2C(F)(F)F)S1	REAL300003867567	1	39	-2.0	-122.33	350.91	6.96	-115.37
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(O)C2=CC=C(Cl)C(Cl)=C2)S1	REAL300003867568	1	36	-2.0	-116.73	356.47	6.23	-110.50
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(O)C2CCCCCC2)S1	REAL300003867571	1	45	-2.0	-121.94	357.64	5.89	-116.05
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(O)C2=CC(F)=CC(F)=C2)S1	REAL300003867573	1	36	-2.0	-115.75	337.64	5.36	-110.39
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC(Cl)=CC=C3F)CCC2)S1	REAL300003867583	1	42	-2.0	-126.36	372.74	9.82	-116.54
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC(F)=CC=C3F)CCC2)S1	REAL300003867584	1	42	-2.0	-128.24	362.41	9.38	-118.86
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN2N=NN=C2C2CC2)S1	REAL300003867585	1	37	-2.0	-122.69	338.47	5.13	-117.56
CC1=CC=C(C(=O)C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C=C1	REAL300003867591	0	37	-2.0	-122.51	333.68	7.07	-115.44
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(=O)C2=CC=C(Cl)C=C2)S1	REAL300003867592	0	34	-2.0	-116.29	329.18	6.91	-109.38
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C)CCS(=O)(=O)CC2)S1	REAL300003867601	1	41	-2.0	-121.79	347.70	3.50	-118.29
C=CCC1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)CC=CC1	REAL300003867603	1	40	-2.0	-122.57	339.90	8.68	-113.89
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(F)CC2CCCC2)S1	REAL300003867605	1	41	-2.0	-120.89	346.54	7.60	-113.29
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(CC3=CC=C(F)C=C3)CCCC2)S1	REAL300003867607	1	48	-2.0	-126.98	393.81	11.42	-115.56
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C23CCCC2CC(=O)CC3)S1	REAL300003867608	1	44	-2.0	-119.72	350.69	8.31	-111.41
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3CCCO3)CC2)S1	REAL300003867609	1	40	-2.0	-120.99	339.71	6.25	-114.74
COCC1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C=CCC1	REAL300003867612	1	40	-2.0	-125.65	343.36	6.18	-119.47
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C(F)(F)F)CCCCO2)S1	REAL300003867613	1	39	-2.0	-118.47	341.52	5.61	-112.86
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)[C@@H]2CCO[C@H]2C2=CC=C(F)C=C2)S1	REAL300003867614	1	43	-2.0	-121.95	376.35	7.51	-114.44
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)[C@H]2CCC3=CC=CC=C32)S1	REAL300003867620	1	39	-2.0	-125.91	336.16	8.72	-117.19
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN2C=C(C3CCOC3)C=N2)S1	REAL300003867622	1	43	-2.0	-126.29	373.89	5.37	-120.92
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C)CC(F)C2)S1	REAL300003867629	1	35	-2.0	-124.91	308.60	6.21	-118.70
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C)CCC(C)C2)S1	REAL300003867635	1	41	-2.0	-126.14	339.33	7.31	-118.83
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C23CCCC2CCC3)S1	REAL300003867641	1	42	-2.0	-128.45	340.76	7.67	-120.78
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)[C@@H]2OCCC[C@@H]2C2=CC=CC=C2)S1	REAL300003867642	1	46	-2.0	-123.41	373.00	9.67	-113.74
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)[C@@H]2OCCC[C@H]2C2=CC=CC=C2)S1	REAL300003867643	1	46	-2.0	-129.09	384.40	9.49	-119.60
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C)CCCNS2(=O)=O)S1	REAL300003867644	1	40	-2.0	-120.96	346.04	1.84	-119.12
CCSC(C)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003867646	1	35	-2.0	-123.88	319.75	6.15	-117.73
CC1=CC(F)=CC(C(C)C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=C1	REAL300003867655	1	41	-2.0	-125.07	361.37	8.53	-116.54
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCC3=CC=NN32)S1	REAL300003867657	1	39	-2.0	-128.85	336.97	6.20	-122.65
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=CC=C2C(F)F)S1	REAL300003867661	1	39	-2.0	-129.11	355.59	8.07	-121.04
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=C(F)C=CC=C3Cl)CCC2)S1	REAL300003867675	1	42	-2.0	-127.82	372.21	9.62	-118.20
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C23CC(C)(C2)OC32CCC2)S1	REAL300003867677	1	44	-2.0	-121.83	364.39	6.62	-115.21
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C23CC(C)(C2)OC32CCOCC2)S1	REAL300003867678	1	48	-2.0	-125.37	385.59	5.30	-120.07
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3CCOCC3)CCOCC2)S1	REAL300003867683	1	50	-2.0	-121.92	378.21	7.05	-114.87
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CSC2=CC=CC(F)=C2)S1	REAL300003867687	1	36	-2.0	-120.65	341.62	7.77	-112.88
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2=CC(C3CC3)=NNC2=O)S1	REAL300003867694	1	38	-2.0	-128.29	344.45	4.91	-123.38
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3CCCCO3)CC2)S1	REAL300003867695	1	43	-2.0	-122.58	356.29	7.08	-115.50
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(CC3=CC=C(F)C=C3)CCCO2)S1	REAL300003867696	1	46	-2.0	-125.31	394.59	8.58	-116.73
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)[C@@H]2CCC3=CC=CC=C32)S1	REAL300003867710	1	39	-2.0	-124.14	339.07	8.30	-115.84
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CSC2=CC=CC(Cl)=C2)S1	REAL300003867715	1	36	-2.0	-120.45	351.94	8.22	-112.23
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN2N=NC(C3CC3)=N2)S1	REAL300003867717	1	37	-2.0	-124.28	340.36	4.79	-119.49
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])S1	REAL300003867723	0	33	-2.0	-124.13	333.29	8.21	-115.92
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)[C@@H](C)C2=CC=C3OCOC3=C2)S1	REAL300003867727	1	41	-2.0	-121.67	359.67	6.45	-115.22
CC1=CC(CC2(C(=O)[N-]C3=NC(C(=O)[O-])=C(C(C)C)S3)CC2)=CC=C1F	REAL300003867743	1	45	-2.0	-124.48	384.34	11.35	-113.13
CC1=CC(F)=CC=C1CC1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)CC1	REAL300003867744	1	45	-2.0	-123.70	375.04	11.10	-112.60
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C23CC4(C)CC(C)(CC(O)(C4)C2)C3)S1	REAL300003867746	1	53	-2.0	-128.99	409.84	6.13	-122.86
CSC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)C1=CC=CC(Cl)=C1	REAL300003867755	1	39	-2.0	-121.12	373.24	8.74	-112.38
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C23CCOC2CCOC3)S1	REAL300003867775	1	41	-2.0	-129.56	337.40	5.00	-124.56
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C2CC2)C2CCCO2)S1	REAL300003867776	1	43	-2.0	-119.88	358.88	7.23	-112.65
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(CC(F)(F)F)C2=CC=CC=C2)S1	REAL300003867781	1	41	-2.0	-117.56	368.68	8.66	-108.90
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCC3=C2N=CS3)S1	REAL300003867800	1	38	-2.0	-130.02	340.62	6.51	-123.51
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(N3C=NC=N3)CC2)S1	REAL300003867801	1	35	-2.0	-114.46	318.02	7.83	-106.63
CC1=CC(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=NNC1=O	REAL300003867810	1	34	-2.0	-114.97	314.73	2.70	-112.27
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(F)(F)CCN2C=CN=N2)S1	REAL300003867817	0	37	-2.0	-123.55	345.26	4.94	-118.61
CC1=CC(F)=CC=C1C(F)(F)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003867818	0	38	-2.0	-115.62	346.87	7.81	-107.81
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(F)(F)CCN2C=CC=N2)S1	REAL300003867819	0	38	-2.0	-121.87	351.45	6.17	-115.70
CC1=NN=NN1C(C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)C1=CC=CC=C1	REAL300003867822	1	43	-2.0	-128.68	381.78	7.04	-121.64
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCN2C2=CN=CC=N2)S1	REAL300003867823	1	42	-2.0	-120.29	356.69	3.93	-116.36
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C23CC(C)(C2)CO3)S1	REAL300003867833	1	37	-2.0	-125.68	322.51	4.72	-120.96
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(O)CCCCCC2)S1	REAL300003867834	1	42	-2.0	-122.59	337.17	4.53	-118.06
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(=O)C2=CC(Cl)=CC(Cl)=C2)S1	REAL300003867835	0	34	-2.0	-114.51	346.66	7.41	-107.10
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC=C(F)C(F)=C2)S1	REAL300003867839	1	41	-2.0	-116.55	362.01	8.32	-108.23
CC1=CC(Cl)=CC=C1OC(C)(C)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003867840	1	45	-2.0	-121.40	390.33	9.15	-112.25
COCC1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)CC=CCC1	REAL300003867843	1	43	-2.0	-126.61	358.92	6.21	-120.40
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C(F)(F)F)CC3CCC2CC3)S1	REAL300003867845	1	45	-2.0	-122.10	362.12	8.65	-113.45
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC=C3)CCOC2)S1	REAL300003867847	1	43	-2.0	-124.18	362.01	7.44	-116.74
CCC1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)CCCC2=CC=CC=C21	REAL300003867849	1	48	-2.0	-125.87	383.86	9.99	-115.88
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3CC3)CCCO2)S1	REAL300003867850	1	40	-2.0	-125.41	339.69	6.43	-118.98
CCC(C)C1=CC=C(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C(=O)N1	REAL300003867851	1	44	-2.0	-140.30	375.99	6.76	-133.54
CC1=CC(Cl)=CC=C1O[C@@H](C)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003867852	1	42	-2.0	-123.18	379.22	8.95	-114.23
CC1=CC=C(OC(C)C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C(C)=C1	REAL300003867853	1	45	-2.0	-127.70	384.14	9.05	-118.65
CC(C)CC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)C1=CC=CC=C1	REAL300003867855	1	47	-2.0	-123.64	388.48	10.64	-113.00
CC(C)COC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)C(C)C	REAL300003867863	1	47	-2.0	-126.80	387.17	8.77	-118.03
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C23CC(C)(C2)OC3C)S1	REAL300003867869	1	40	-2.0	-120.88	338.97	5.78	-115.10
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C23COC(C=CC2)C3)S1	REAL300003867870	1	38	-2.0	-122.15	323.51	5.11	-117.04
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)[C@H](C)C2=CC=C(F)C=C2)S1	REAL300003867876	1	38	-2.0	-119.31	339.93	7.86	-111.45
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C23COC(C2)CCC3)S1	REAL300003867879	1	40	-2.0	-123.00	327.90	5.20	-117.80
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C23CCC(CO2)C3)S1	REAL300003867880	1	37	-2.0	-127.17	317.03	4.77	-122.40
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C23CCC(C)(C2)OC3)S1	REAL300003867881	1	40	-2.0	-122.55	338.23	5.30	-117.25
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C23CCN(CCC2)S3(=O)=O)S1	REAL300003867885	1	41	-2.0	-134.25	351.07	2.77	-131.48
CC1=CC=CC([C@@H](C)C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=C1	REAL300003867893	1	41	-2.0	-123.91	355.02	8.45	-115.46
CCC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)N1C=NC=N1	REAL300003867904	1	37	-2.0	-114.40	325.18	7.72	-106.68
CC1=NN(CC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C(C)=C1C	REAL300003867905	1	41	-2.0	-127.28	358.23	6.27	-121.01
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C(Cl)C=C3F)CC2)S1	REAL300003867906	1	39	-2.0	-127.62	367.40	9.04	-118.58
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CC2=CC(C(F)(F)F)=CO2)S1	REAL300003867909	1	35	-2.0	-119.31	338.19	6.45	-112.86
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCC3=NN=CN32)S1	REAL300003867911	1	38	-2.0	-119.00	328.50	7.71	-111.29
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN2C=CC3=CC(F)=CC=C32)S1	REAL300003867913	1	39	-2.0	-119.94	356.28	8.79	-111.15
COC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)C1=CC=CN=C1	REAL300003867916	1	38	-2.0	-127.03	343.69	5.54	-121.49
CC1=NN=NN1CC(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003867934	1	33	-2.0	-121.53	307.48	3.67	-117.86
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CC2=CN=NN2C)S1	REAL300003867939	1	34	-2.0	-120.92	311.07	3.56	-117.36
C=CCOCC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1)C(C)(C)C	REAL300003867952	1	48	-2.0	-120.14	390.22	8.37	-111.77
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CC3(C)CCCN3S2(=O)=O)S1	REAL300003867953	1	44	-2.0	-124.66	367.96	3.55	-121.11
CC1=NN(CC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)N=N1	REAL300003867959	1	33	-2.0	-122.75	309.00	3.28	-119.47
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C23CCC(C)(CC2)CO3)S1	REAL300003867964	1	43	-2.0	-128.23	351.38	6.03	-122.20
CC1=C(C)NC(=O)C(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=C1	REAL300003867968	1	38	-2.0	-144.01	336.38	5.23	-138.78
CC1=CC=C(C2(C(=O)[N-]C3=NC(C(=O)[O-])=C(C(C)C)S3)CC2)C(F)=C1	REAL300003867973	1	42	-2.0	-132.45	372.08	9.21	-123.24
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)OC2=C(F)C=CC=C2F)S1	REAL300003867979	1	42	-2.0	-136.47	369.84	8.28	-128.19
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CN(C)N=C2)S1	REAL300003867992	1	36	-2.0	-125.48	330.42	4.86	-120.62
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C23CCC(C2)OC3)S1	REAL300003867995	1	37	-2.0	-122.16	316.68	4.65	-117.51
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C23CCC(C(F)(F)F)(CC2)C3)S1	REAL300003867999	1	42	-2.0	-122.46	364.91	7.94	-114.52
CC=CC1=CC=C(OCC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C(OC)=C1	REAL300003868002	1	47	-2.0	-132.25	407.54	8.82	-123.43
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2COC3COCC32)S1	REAL300003868016	1	38	-2.0	-123.43	318.71	3.06	-120.37
CC1=C(C(=O)NC2=NC(C(=O)[O-])=C(C(C)C)S2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300003868024	0	41	-2.0	-110.63	368.42	5.33	-105.30
COC1=CC=CC=C1OC(C)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003868038	1	43	-2.0	-133.49	372.71	7.44	-126.05
CC1=C(Cl)C=NN1CC(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003868039	1	35	-2.0	-121.12	334.94	5.63	-115.49
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CCC(C3CCCO3)O2)S1	REAL300003868041	1	44	-2.0	-133.86	368.81	6.20	-127.66
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CC=CC3=CC=CC=C32)S1	REAL300003868047	1	40	-2.0	-123.07	348.55	8.83	-114.24
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C23COC(C)(C2)CCC3)S1	REAL300003868060	1	43	-2.0	-122.47	349.00	5.94	-116.53
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2C(C)(C)C2(F)F)S1	REAL300003868068	1	35	-2.0	-119.43	313.64	6.34	-113.09
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2C(F)(F)C23CCC3)S1	REAL300003868070	1	36	-2.0	-121.55	325.31	7.14	-114.41
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3CCOCC3)CC2(F)F)S1	REAL300003868075	1	43	-2.0	-124.55	364.69	7.04	-117.51
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3CCC3)CC2(F)F)S1	REAL300003868076	1	39	-2.0	-121.75	337.81	8.19	-113.56
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CN2N=NC3=CC=CC=C32)S1	REAL300003868081	1	37	-2.0	-128.10	340.03	5.32	-122.78
COC1=CC=C2C(=C1)CCCC2C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003868091	1	46	-2.0	-125.00	380.15	9.06	-115.94
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(O)C2=CC=C(Cl)C=C2Cl)S1	REAL300003868093	1	36	-2.0	-116.55	352.47	6.62	-109.93
CC1=NN(C)C(CC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=C1	REAL300003868096	1	38	-2.0	-122.63	338.90	5.34	-117.29
COC1=CC=CC(CC(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=N1	REAL300003868097	1	38	-2.0	-128.93	342.35	4.23	-124.70
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(F)C2CCC2)S1	REAL300003868124	1	35	-2.0	-120.62	307.52	6.32	-114.30
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(F)C2CCOC2)S1	REAL300003868125	1	36	-2.0	-119.35	314.97	4.36	-114.99
CCC1(C)CCC(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)O1	REAL300003868126	1	42	-2.0	-128.98	351.21	6.88	-122.10
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CC3(CCC3)CO2)S1	REAL300003868129	1	40	-2.0	-128.44	339.33	6.54	-121.90
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C23CCC(C2)S(=O)(=O)CC3)S1	REAL300003868134	1	42	-2.0	-125.63	352.99	3.69	-121.94
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCC3=NC=CC=C32)S1	REAL300003868135	1	41	-2.0	-122.31	345.73	7.95	-114.36
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CCC3(CCOCC3)O2)S1	REAL300003868157	1	44	-2.0	-128.33	365.09	5.69	-122.64
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CCC3(CCC3)O2)S1	REAL300003868158	1	40	-2.0	-129.65	340.83	6.74	-122.91
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=CC3=CC=CC=C32)S1	REAL300003868161	1	44	-2.0	-126.94	374.33	9.88	-117.06
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=CC=C2Cl)S1	REAL300003868162	1	38	-2.0	-121.57	347.29	8.20	-113.37
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)N2C=CC(C3CC3)=N2)S1	REAL300003868166	1	42	-2.0	-119.16	366.02	7.11	-112.05
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C2=CC=C(F)C=C2)C2CC2)S1	REAL300003868169	1	42	-2.0	-120.14	368.03	9.95	-110.19
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C23CC(C)(C2)OCC3)S1	REAL300003868172	1	40	-2.0	-122.74	335.20	5.42	-117.32
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C23CC4(C)CC(C)(CC(F)(C4)C2)C3)S1	REAL300003868173	1	52	-2.0	-128.73	405.25	9.52	-119.21
CC1=CC(C(F)(F)C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=CS1	REAL300003868174	0	35	-2.0	-118.52	339.63	7.15	-111.37
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(F)(F)C2=CN(C)N=C2)S1	REAL300003868175	0	35	-2.0	-119.93	331.29	5.17	-114.76
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C)C=CCCC2)S1	REAL300003868188	1	39	-2.0	-123.34	326.91	7.19	-116.15
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3CCC3)CC2)S1	REAL300003868189	1	39	-2.0	-127.09	329.40	7.67	-119.42
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=NC=C3)CC2)S1	REAL300003868190	1	38	-2.0	-123.05	332.92	7.62	-115.43
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)N2C=CC(C3CC3)=N2)S1	REAL300003868191	1	45	-2.0	-125.33	386.97	7.83	-117.50
COC12CCC(C(=O)[N-]C3=NC(C(=O)[O-])=C(C(C)C)S3)(CC1)C2	REAL300003868195	1	43	-2.0	-126.43	356.41	5.86	-120.57
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C23CC4CC(CC(C4)O2)C3)S1	REAL300003868196	1	44	-2.0	-131.84	349.96	6.68	-125.16
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CS3)CCOCC2)S1	REAL300003868197	1	43	-2.0	-121.38	368.82	7.18	-114.20
CC1=CC=C(C(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)C2CC2)C=C1	REAL300003868200	1	45	-2.0	-124.99	383.03	10.56	-114.43
CC1=CC(F)=CC=C1C1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)CC1	REAL300003868202	1	42	-2.0	-121.82	367.47	8.91	-112.91
CC1=CC=C(F)C=C1C1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)CC1	REAL300003868203	1	42	-2.0	-122.37	368.81	8.91	-113.46
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C([N+](=O)[O-])C=C3)CC2)S1	REAL300003868204	1	41	-2.0	-119.94	365.94	10.06	-109.88
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C)CC(C)OC(C)C2)S1	REAL300003868208	1	45	-2.0	-124.88	366.08	6.34	-118.54
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)[C@]23COC[C@H]2C3(F)F)S1	REAL300003868210	1	34	-2.0	-120.82	314.40	4.36	-116.46
CC1=CC=C(F)C=C1C(F)(F)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003868211	0	38	-2.0	-117.28	346.83	7.78	-109.50
CCC1=CC=CC=C1C(F)(F)C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003868212	0	41	-2.0	-122.20	357.00	8.30	-113.90
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2=C3CCCCC3=NNC2=O)S1	REAL300003868228	1	41	-2.0	-131.63	349.62	5.10	-126.53
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C23CC(C(F)(F)F)(C2)CO3)S1	REAL300003868243	1	37	-2.0	-118.40	341.75	5.11	-113.29
CC1=C(F)C=CC=C1C1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)CC1	REAL300003868249	1	42	-2.0	-126.49	366.33	8.88	-117.61
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CS3)CCCC2)S1	REAL300003868250	1	42	-2.0	-124.62	362.38	9.00	-115.62
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(C2=CC=CS2)C2CCCCC2)S1	REAL300003868251	1	48	-2.0	-125.46	404.30	10.10	-115.36
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(C#N)CC3CC3C2)S1	REAL300003868252	1	37	-2.0	-117.44	329.79	6.97	-110.47
C=C(C)[C@@H]1OCCC[C@H]1C(=O)[N-]C1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003868253	1	43	-2.0	-119.84	358.72	6.25	-113.59
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)CC2=CC(C(F)(F)F)=NN2C)S1	REAL300003868257	1	38	-2.0	-118.80	358.33	5.74	-113.06
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCN3C=NN=C23)S1	REAL300003868272	1	38	-2.0	-134.57	331.01	7.44	-127.13
CC1=CC=CC(C(O)C(=O)[N-]C2=NC(C(=O)[O-])=C(C(C)C)S2)=C1	REAL300003868274	1	39	-2.0	-122.11	346.01	5.92	-116.19
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(CC3=CC=C(O)C=C3)CC2)S1	REAL300003868275	1	43	-2.0	-127.49	368.47	7.79	-119.70
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(O)CC2=CC=CC=C2)S1	REAL300003868280	1	39	-2.0	-120.41	348.35	5.90	-114.51
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C2(O)CCCC(C)CC2)S1	REAL300003868284	1	45	-2.0	-122.64	354.70	5.33	-117.31
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C(O)C2CCC(C(C)(C)C)CC2)S1	REAL300003868285	1	54	-2.0	-122.13	414.62	7.44	-114.69
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)[C@@H](O)CC2=CC3=CC=CC=C3C=C2)S1	REAL300003868292	1	45	-2.0	-122.05	394.35	8.17	-113.88
CC(C)C1=C(C(=O)[O-])N=C([N-]C(=O)C23CC(C2)CN3C2CC2)S1	REAL300003868310	1	42	-2.0	-126.13	348.58	5.73	-120.40
CN(C(=O)C1=CC=C([O-])C(F)=C1)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300003869836	1	34	-2.0	-99.53	312.86	7.12	-92.41
CN(C(=O)CCC1=N[N-]N=N1)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300003869875	0	34	-2.0	-93.37	312.72	5.64	-87.73
CN(C(=O)CCC1=NN=N[N-]1)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300003869875	1	34	-2.0	-93.41	312.78	5.66	-87.75
CN(C(=O)C1=CN=CC([O-])=C1)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300003869926	1	33	-2.0	-97.09	302.19	5.36	-91.73
CN(C(=O)CCCC1=N[N-]N=N1)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300003870123	0	37	-2.0	-100.23	333.62	6.34	-93.89
CN(C(=O)CCCC1=NN=N[N-]1)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300003870123	1	37	-2.0	-100.19	333.68	6.35	-93.84
CN(C(=O)C1=CC=C([O-])C(Cl)=C1)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300003870137	0	34	-2.0	-96.65	322.66	7.61	-89.04
CN(C(=O)C1=C[N-]N=CC1=O)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300003870298	0	32	-2.0	-102.38	294.82	6.83	-95.55
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC2C2=NC(C(=O)[O-])=C(C)S2)O1	REAL300003871374	1	41	-2.0	-109.47	379.81	1.82	-107.65
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C2=CC=C([O-])C(F)=C2)S1	REAL300003872477	1	37	-2.0	-115.71	323.47	5.33	-110.38
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)CCC2=N[N-]N=N2)S1	REAL300003872531	0	37	-2.0	-108.61	333.63	4.07	-104.54
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)CCC2=NN=N[N-]2)S1	REAL300003872531	1	37	-2.0	-108.60	333.69	4.08	-104.52
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C2=CN=C(C3CC3)[N-]C2=O)S1	REAL300003872597	1	42	-2.0	-115.84	354.26	4.58	-111.26
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C2=CN=CC([O-])=C2)S1	REAL300003872616	1	36	-2.0	-113.30	321.67	3.66	-109.64
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C2=C([O-])C3=CC=CC=C3C=N2)S1	REAL300003872705	1	42	-2.0	-137.51	366.92	8.65	-128.86
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C2=CC(F)=C([O-])C(Cl)=C2)S1	REAL300003872924	0	37	-2.0	-113.40	340.07	5.91	-107.49
COC1=C(C(=O)N2CCCC2C2=NC(C(=O)[O-])=C(C)S2)NC(=O)[N-]C1=O	REAL300003872937	1	40	-2.0	-114.14	355.65	1.70	-112.44
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)CCCC2=N[N-]N=N2)S1	REAL300003873005	0	40	-2.0	-113.97	355.11	4.85	-109.12
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)CCCC2=NN=N[N-]2)S1	REAL300003873005	1	40	-2.0	-113.97	355.17	4.87	-109.10
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C2=CC=C([O-])C(Cl)=C2)S1	REAL300003873033	0	37	-2.0	-114.31	330.93	5.74	-108.57
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCCC2C2=NC(C(=O)[O-])=C(C)S2)=CO1	REAL300003873053	1	41	-2.0	-112.56	377.20	1.45	-111.11
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300003873157	0	40	-2.0	-103.14	362.34	5.13	-98.01
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)S1	REAL300003873157	1	40	-2.0	-103.09	362.41	5.14	-97.95
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C2=C[N-]N=CC2=O)S1	REAL300003873328	0	35	-2.0	-107.27	323.47	4.19	-103.08
COCC1=NC=C(C(=O)N2CCCC2C2=NC(C(=O)[O-])=C(C)S2)C(=O)[N-]1	REAL300003873349	1	42	-2.0	-115.71	377.50	2.76	-112.95
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C2=CN=C(C3CCC3)[N-]C2=O)S1	REAL300003873385	1	45	-2.0	-115.95	391.42	5.66	-110.29
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC2C(=O)NCC(=O)[O-])O1	REAL300003875126	1	39	-2.0	-92.36	350.51	0.17	-92.19
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCCC2C(=O)NCC(=O)[O-])=CS1	REAL300003875592	1	46	-2.0	-109.04	396.69	4.26	-104.78
CC1=C(CC(=O)N2CCCC2C(=O)NCC(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003875775	1	48	-2.0	-122.27	406.57	4.43	-117.84
O=C([O-])CNC(=O)C1CCCN1C(=O)C1=CC=C([O-])C(F)=C1	REAL300003876666	1	35	-2.0	-108.09	305.57	2.70	-105.39
O=C([O-])CNC(=O)C1CCCN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300003876676	1	38	-2.0	-111.83	334.99	4.51	-107.32
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCCC2C(=O)NCC(=O)[O-])C=N1	REAL300003876763	0	41	-2.0	-99.88	360.97	0.85	-99.03
O=C([O-])CNC(=O)C1CCCN1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300003876786	1	40	-2.0	-107.27	330.14	3.12	-104.15
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCCC2C(=O)NCC(=O)[O-])=N1	REAL300003876901	0	45	-2.0	-125.81	385.58	6.76	-119.05
O=C([O-])CNC(=O)C1CCCN1C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300003876906	0	42	-2.0	-124.69	367.78	4.72	-119.97
O=C([O-])CNC(=O)C1CCCN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300003876935	1	40	-2.0	-125.41	340.55	5.86	-119.55
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCCC3C(=O)NCC(=O)[O-])=N2)=C1	REAL300003877069	0	45	-2.0	-131.18	386.20	5.30	-125.88
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCCC2C(=O)NCC(=O)[O-])=N1	REAL300003877070	0	48	-2.0	-128.47	402.47	6.41	-122.06
CC1=C(CC(=O)N2CCCC2C(=O)NCC(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003877128	1	48	-2.0	-121.15	406.76	4.44	-116.71
O=C([O-])CNC(=O)C1CCCN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300003877183	0	35	-2.0	-103.19	321.51	3.25	-99.94
COC1=C(C(=O)N2CCCC2C(=O)NCC(=O)[O-])NC(=O)[N-]C1=O	REAL300003877194	1	38	-2.0	-98.08	328.02	-0.71	-98.79
O=C([O-])CNC(=O)C1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL300003877268	0	38	-2.0	-104.33	327.31	2.92	-101.41
O=C([O-])CNC(=O)C1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL300003877268	1	38	-2.0	-104.33	327.36	2.93	-101.40
O=C([O-])CNC(=O)C1CCCN1C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300003877299	0	35	-2.0	-103.96	315.39	3.18	-100.78
CCOC1=CC(C(=O)N2CCCC2C(=O)NCC(=O)[O-])=CC(Cl)=C1[O-]	REAL300003877303	1	42	-2.0	-98.99	365.24	5.32	-93.67
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCCC3C(=O)NCC(=O)[O-])=N2)C=C1	REAL300003877309	0	46	-2.0	-128.53	387.88	5.06	-123.47
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCCC2C(=O)NCC(=O)[O-])=CO1	REAL300003877324	1	39	-2.0	-102.31	348.87	-0.41	-102.72
O=C([O-])CNC(=O)C1CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300003877458	0	38	-2.0	-89.52	332.75	3.44	-86.08
O=C([O-])CNC(=O)C1CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300003877458	1	38	-2.0	-89.48	332.82	3.44	-86.04
COCC1=NC=C(C(=O)N2CCCC2C(=O)NCC(=O)[O-])C(=O)[N-]1	REAL300003877711	1	40	-2.0	-105.33	333.09	0.23	-105.10
O=C([O-])CNC(=O)C1CCCN1C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300003877753	1	43	-2.0	-105.92	364.97	2.89	-103.03
O=C([O-])CNC(=O)C1CCCN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300003877991	0	35	-2.0	-105.78	330.33	5.87	-99.91
COC1=CC=C(Br)C(C(C(=O)[O-])N(C)C(=O)CCC2=N[N-]N=N2)=C1	REAL300003878789	0	38	-2.0	-103.06	333.15	5.61	-97.45
COC1=CC=C(Br)C(C(C(=O)[O-])N(C)C(=O)CCC2=NN=N[N-]2)=C1	REAL300003878789	1	38	-2.0	-103.05	333.21	5.62	-97.43
COC1=CC=C(Br)C(C(C(=O)[O-])N(C)C(=O)C2=CN=CC([O-])=C2)=C1	REAL300003878806	1	37	-2.0	-102.50	330.95	4.74	-97.76
COC1=CC=C(Br)C(C(C(=O)[O-])N(C)C(=O)C2=C[N-]N=CC2=O)=C1	REAL300003878901	0	36	-2.0	-107.64	320.75	6.02	-101.62
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)C(C(=O)[O-])C2=CC=CC(OC)=C2)O1	REAL300003879925	1	42	-2.0	-100.36	370.49	2.66	-97.70
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2=CC=C([O-])C(F)=C2)=C1	REAL300003881313	1	38	-2.0	-104.10	321.06	5.82	-98.28
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])=C1	REAL300003881325	1	41	-2.0	-116.93	344.29	7.94	-108.99
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)CCC2=N[N-]N=N2)=C1	REAL300003881366	0	38	-2.0	-98.42	320.33	4.22	-94.20
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)CCC2=NN=N[N-]2)=C1	REAL300003881366	1	38	-2.0	-98.39	320.39	4.23	-94.16
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)=C1	REAL300003881428	0	44	-2.0	-115.91	378.06	4.53	-111.38
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2=CN=C(C3CC3)[N-]C2=O)=C1	REAL300003881450	1	43	-2.0	-122.89	363.32	5.22	-117.67
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2=CN=CC([O-])=C2)=C1	REAL300003881482	1	37	-2.0	-102.42	310.39	4.04	-98.38
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])=C1	REAL300003881564	0	45	-2.0	-128.86	382.56	7.78	-121.08
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2=C([O-])C3=CC=CC=C3C=N2)=C1	REAL300003881595	1	43	-2.0	-135.49	357.22	9.62	-125.87
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2=CC(F)=C([O-])C(Cl)=C2)=C1	REAL300003881832	0	38	-2.0	-106.09	338.97	6.99	-99.10
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2=C(OC)C(=O)[N-]C(=O)N2)=C1	REAL300003881845	1	41	-2.0	-98.86	351.98	0.50	-98.36
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)CCCC2=N[N-]N=N2)=C1	REAL300003881920	0	41	-2.0	-105.03	341.82	5.01	-100.02
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)CCCC2=NN=N[N-]2)=C1	REAL300003881920	1	41	-2.0	-105.05	341.88	5.03	-100.02
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2=CC=C([O-])C(Cl)=C2)=C1	REAL300003881950	0	38	-2.0	-101.54	330.86	6.29	-95.25
CCOC1=CC(C(=O)N(C)C(C(=O)[O-])C2=CC=CC(OC)=C2)=CC(Cl)=C1[O-]	REAL300003881954	1	45	-2.0	-104.62	381.89	7.33	-97.29
C[N-]S(=O)(=O)C1=CC(C(=O)N(C)C(C(=O)[O-])C2=CC=CC(OC)=C2)=CO1	REAL300003881975	1	42	-2.0	-101.77	364.02	1.62	-100.15
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300003882109	0	41	-2.0	-94.02	349.69	5.40	-88.62
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300003882109	1	41	-2.0	-94.04	349.75	5.40	-88.64
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2=C[N-]N=CC2=O)=C1	REAL300003882328	0	36	-2.0	-107.00	302.05	5.68	-101.32
COCC1=NC=C(C(=O)N(C)C(C(=O)[O-])C2=CC=CC(OC)=C2)C(=O)[N-]1	REAL300003882351	1	43	-2.0	-121.31	365.33	2.97	-118.34
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2=CN=C(C3CCC3)[N-]C2=O)=C1	REAL300003882393	1	46	-2.0	-123.19	379.07	5.77	-117.42
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=C1	REAL300003882620	0	38	-2.0	-119.09	347.75	7.84	-111.25
O=C([O-])C1N(C(=O)C2=N[N-]C3=CC=CC=C3C2=O)CC12CCOCC2	REAL300003883506	0	40	-2.0	-124.79	326.53	6.50	-118.29
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CC3(CCOCC3)C2C(=O)[O-])=C1	REAL300003883719	0	46	-2.0	-125.62	370.15	4.44	-121.18
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC2(CCOCC2)C1C(=O)[O-]	REAL300003884008	0	46	-2.0	-126.87	370.20	4.69	-122.18
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC3(CCOCC3)C2C(=O)[O-])O1	REAL300003884452	1	40	-2.0	-95.44	351.94	0.45	-94.99
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC2(CCOCC2)C1C(=O)[O-]	REAL300003884707	0	43	-2.0	-124.85	348.74	3.79	-121.06
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC3(CCOCC3)C2C(=O)[O-])=CS1	REAL300003885044	1	47	-2.0	-129.47	392.28	5.50	-123.97
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CC2(CCOCC2)C1C(=O)[O-]	REAL300003885268	0	43	-2.0	-115.86	355.17	3.84	-112.02
CC1=C(CC(=O)N2CC3(CCOCC3)C2C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003885270	1	49	-2.0	-138.84	403.16	5.72	-133.12
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC2(CCOCC2)C1C(=O)[O-]	REAL300003885273	0	49	-2.0	-127.66	391.70	5.47	-122.19
CC1=C(C(=O)N2CC3(CCOCC3)C2C(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300003885354	1	49	-2.0	-130.53	386.00	5.40	-125.13
O=C([O-])C1N(C(=O)C2=CC=C([O-])C(F)=C2)CC12CCOCC2	REAL300003886399	1	36	-2.0	-98.97	299.11	4.19	-94.78
O=C([O-])C1N(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CC12CCOCC2	REAL300003886411	1	39	-2.0	-111.81	331.76	6.69	-105.12
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CC3(CCOCC3)C2C(=O)[O-])C=N1	REAL300003886519	0	42	-2.0	-116.35	349.54	2.77	-113.58
O=C([O-])C1N(C(=O)C2=CN=C(C3CC3)[N-]C2=O)CC12CCOCC2	REAL300003886555	1	41	-2.0	-108.66	342.53	3.75	-104.91
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CC4(CCOCC4)C3C(=O)[O-])=N2)=C1	REAL300003886612	0	52	-2.0	-131.80	415.30	7.79	-124.01
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CC4(CCOCC4)C3C(=O)[O-])=N2)C=C1	REAL300003886613	0	52	-2.0	-140.32	409.69	8.38	-131.94
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CC3(CCOCC3)C2C(=O)[O-])=N1	REAL300003886707	0	46	-2.0	-137.69	378.54	7.36	-130.33
O=C([O-])C1N(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CC12CCOCC2	REAL300003886712	0	43	-2.0	-127.93	361.43	5.94	-121.99
O=C([O-])C1N(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)CC12CCOCC2	REAL300003886753	1	41	-2.0	-134.37	338.83	7.10	-127.27
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CC4(CCOCC4)C3C(=O)[O-])=N2)=C1	REAL300003886916	0	46	-2.0	-135.07	379.78	6.53	-128.54
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC3(CCOCC3)C2C(=O)[O-])=N1	REAL300003886917	0	49	-2.0	-144.53	392.36	8.11	-136.42
CC1=C(CC(=O)N2CC3(CCOCC3)C2C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003886994	1	49	-2.0	-112.62	401.24	4.96	-107.66
O=C([O-])C1N(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)CC12CCOCC2	REAL300003887056	0	36	-2.0	-95.07	314.36	4.70	-90.37
COC1=C(C(=O)N2CC3(CCOCC3)C2C(=O)[O-])NC(=O)[N-]C1=O	REAL300003887073	1	39	-2.0	-103.38	315.13	0.28	-103.10
O=C([O-])C1N(C(=O)CCCC2=N[N-]N=N2)CC12CCOCC2	REAL300003887172	0	39	-2.0	-117.97	322.88	4.19	-113.78
O=C([O-])C1N(C(=O)CCCC2=NN=N[N-]2)CC12CCOCC2	REAL300003887172	1	39	-2.0	-118.01	322.94	4.20	-113.81
O=C([O-])C1N(C(=O)C2=CC=C([O-])C(Cl)=C2)CC12CCOCC2	REAL300003887209	0	36	-2.0	-96.57	308.90	4.67	-91.90
CCOC1=CC(C(=O)N2CC3(CCOCC3)C2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300003887213	1	43	-2.0	-108.38	355.16	6.18	-102.20
COC1=CC=C(N2C=C([O-])C(C(=O)N3CC4(CCOCC4)C3C(=O)[O-])=N2)C=C1	REAL300003887223	0	47	-2.0	-140.00	378.97	5.75	-134.25
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC3(CCOCC3)C2C(=O)[O-])=CO1	REAL300003887247	1	40	-2.0	-99.30	344.42	0.07	-99.23
O=C([O-])C1N(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC12CCOCC2	REAL300003887410	0	39	-2.0	-94.45	323.90	3.95	-90.50
O=C([O-])C1N(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC12CCOCC2	REAL300003887410	1	39	-2.0	-94.41	323.97	3.95	-90.46
COCC1=NC=C(C(=O)N2CC3(CCOCC3)C2C(=O)[O-])C(=O)[N-]1	REAL300003887743	1	41	-2.0	-107.76	344.38	1.40	-106.36
O=C([O-])C1N(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)CC12CCOCC2	REAL300003887791	1	44	-2.0	-116.81	348.76	5.37	-111.44
O=C([O-])C1N(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC12CCOCC2	REAL300003888110	0	36	-2.0	-125.49	318.96	6.86	-118.63
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C(Cl)C=C3)CCCC2)S1	REAL300003888718	1	39	-2.0	-124.71	348.07	9.02	-115.69
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=C(Cl)C=C2C)S1	REAL300003888723	1	33	-2.0	-118.31	320.97	6.96	-111.35
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=CC=C2)S1	REAL300003888725	1	33	-2.0	-123.62	302.03	6.30	-117.32
COC1=CC=C(OCC(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)C=C1	REAL300003888727	1	34	-2.0	-121.45	313.67	5.02	-116.43
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC(C)=CC=C2)S1	REAL300003888728	1	33	-2.0	-123.19	305.58	6.41	-116.78
COC1=CC=CC=C1OCC(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003888729	1	34	-2.0	-128.96	313.42	5.49	-123.47
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=C(C#N)C=C2)S1	REAL300003888730	1	31	-2.0	-117.83	304.99	6.14	-111.69
CCOC1=CC=CC=C1OCC(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003888731	1	37	-2.0	-129.78	335.27	6.41	-123.37
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=C(Cl)C(C)=C2)S1	REAL300003888732	1	33	-2.0	-118.52	319.62	6.84	-111.68
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=C(C)C=C2)S1	REAL300003888742	1	33	-2.0	-122.49	305.58	6.41	-116.08
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=C(F)C=C2)S1	REAL300003888751	1	30	-2.0	-117.77	290.58	5.80	-111.97
COC1=CC(C#N)=CC=C1OCC(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003888762	1	35	-2.0	-123.34	334.21	5.89	-117.45
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2=NN(C)C(=O)C3=CC=CC=C32)S1	REAL300003888764	1	34	-2.0	-117.59	316.21	4.63	-112.96
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=CC(Br)=C2)S1	REAL300003888776	1	30	-2.0	-120.70	305.47	6.36	-114.34
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=C(Cl)C=C2)S1	REAL300003888779	1	30	-2.0	-117.98	300.90	6.26	-111.72
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=CC=C2C)S1	REAL300003888781	1	33	-2.0	-122.96	304.25	6.45	-116.51
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=CC=C2Cl)S1	REAL300003888782	1	30	-2.0	-124.38	300.20	6.27	-118.11
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC(C)=CC(C)=C2)S1	REAL300003888783	1	36	-2.0	-123.56	326.99	7.07	-116.49
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC(C)=CC=C2Cl)S1	REAL300003888784	1	33	-2.0	-124.39	321.61	6.94	-117.45
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=C3CCCC3=C2)S1	REAL300003888785	1	37	-2.0	-123.95	329.70	7.65	-116.30
CCCOC1=CC=C(OCC(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)C=C1	REAL300003888786	1	40	-2.0	-120.73	357.02	6.75	-113.98
CCOC1=CC=C(OCC(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)C=C1	REAL300003888787	1	37	-2.0	-121.23	335.52	5.95	-115.28
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=C(C)C=C2)S1	REAL300003888788	1	36	-2.0	-123.72	323.45	6.97	-116.75
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=C(F)C=C2Br)S1	REAL300003888789	1	30	-2.0	-118.71	310.99	6.44	-112.27
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=C(F)C=C2)S1	REAL300003888791	1	33	-2.0	-118.90	308.22	6.41	-112.49
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC=C3)CCOCC2)S1	REAL300003888793	1	40	-2.0	-119.71	334.02	6.76	-112.95
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C(F)C=C3)CCOCC2)S1	REAL300003888794	1	40	-2.0	-116.13	340.42	6.84	-109.29
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC(F)=C3)CCOCC2)S1	REAL300003888795	1	40	-2.0	-116.77	340.42	6.84	-109.93
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC(Cl)=C3)CCOCC2)S1	REAL300003888796	1	40	-2.0	-116.71	350.75	7.29	-109.42
COC1=CC=C(C2(C(=O)[N-]C3=NC(C(=O)[O-])=C(C)S3)CCOCC2)C=C1	REAL300003888797	1	44	-2.0	-120.15	363.50	6.07	-114.08
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC=C3Cl)CCOCC2)S1	REAL300003888798	1	40	-2.0	-122.42	344.54	6.46	-115.96
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2=NN(C3=CC=CC=C3)C(C)=CC2=O)S1	REAL300003888800	1	38	-2.0	-146.68	347.86	7.81	-138.87
C=CCC1=CC=C(OCC(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)C(OC)=C1	REAL300003888804	1	41	-2.0	-128.28	369.12	7.48	-120.80
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2=NOC(C3=CC=CC=C3)C2)S1	REAL300003888806	1	34	-2.0	-115.69	319.56	5.50	-110.19
CC1=NN(C)C(C)=C1C(=O)C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003888835	0	34	-2.0	-120.79	321.74	3.91	-116.88
CSCC1=NC2=CC=CC=C2N1CC(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003888836	1	39	-2.0	-125.09	367.10	7.77	-117.32
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2C=NC3=C(C)C=CC=C3C2=O)S1	REAL300003888838	1	37	-2.0	-127.12	341.07	7.24	-119.88
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2C(=O)C(C)OC3=CC=CC=C32)S1	REAL300003888842	1	38	-2.0	-128.49	342.06	5.34	-123.15
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2C(=O)COC3=CC=C(Cl)C=C32)S1	REAL300003888849	1	35	-2.0	-125.31	338.44	5.16	-120.15
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN(C)C(=O)C2=CC=CS2)S1	REAL300003888858	1	33	-2.0	-126.58	316.01	4.58	-122.00
CC1=C(C(=O)[O-])N=C([N-]C(=O)CSCC2=CC=CN=C2)S1	REAL300003888860	1	32	-2.0	-120.45	314.51	5.47	-114.98
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2C=C(C(F)(F)F)C=CC2=O)S1	REAL300003888866	1	32	-2.0	-120.33	318.19	5.46	-114.87
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2C=NC3=CC=CC=C3C2=O)S1	REAL300003888869	1	34	-2.0	-126.61	320.91	6.40	-120.21
CC1=C(C(=O)[O-])N=C([N-]C(=O)CSC2=NC3=CC=CC=C3S2)S1	REAL300003888874	1	32	-2.0	-120.18	328.97	6.03	-114.15
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2=NN(C3=CC(C)=CC=C3)C(=O)CC2)S1	REAL300003888875	1	40	-2.0	-116.66	362.18	6.52	-110.14
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2CCCCCC2=O)S1	REAL300003888876	1	36	-2.0	-125.44	311.92	4.97	-120.47
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2C(=O)COC3=CC=CC=C32)S1	REAL300003888878	1	35	-2.0	-127.86	321.75	4.65	-123.21
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2CSCC2=O)S1	REAL300003888879	1	28	-2.0	-121.41	279.53	3.26	-118.15
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2C3=CC=CC=C3OCCC2=O)S1	REAL300003888892	1	38	-2.0	-133.64	340.95	5.37	-128.27
CCN1N=C(C(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)C2=CC=CC=C2C1=O	REAL300003888899	1	37	-2.0	-118.06	337.27	5.53	-112.53
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CC(=O)NC3=CC=CC=C32)S1	REAL300003888907	1	34	-2.0	-122.63	313.05	4.30	-118.33
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2=CC(=O)N(C)C3=CC=CC=C23)S1	REAL300003888912	1	35	-2.0	-126.34	315.85	7.04	-119.30
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=CC(C#N)=C2)S1	REAL300003888915	1	34	-2.0	-123.14	322.90	6.69	-116.45
CCN1N=C(C(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)C=CC1=O	REAL300003888922	1	31	-2.0	-113.19	295.76	3.19	-110.00
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2=NN(C3=CC=CC=C3)C(=O)CC2)S1	REAL300003888931	1	37	-2.0	-116.14	340.81	5.85	-110.29
CC1=C(C(=O)[O-])N=C([N-]C(=O)CSC2=CC=C3OCCOC3=C2)S1	REAL300003888935	1	36	-2.0	-120.06	338.27	5.50	-114.56
CC(=O)C1=CC=CC(OCC(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)=C1	REAL300003888936	1	35	-2.0	-132.75	324.66	6.13	-126.62
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2C=CC(C(F)(F)F)=N2)S1	REAL300003888938	1	29	-2.0	-123.24	296.82	4.32	-118.92
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2=NN(C3=CC(C)=CC=C3C)C(=O)CC2)S1	REAL300003888939	1	43	-2.0	-116.39	379.45	7.43	-108.96
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2OC3=CC=CC=C3OC2C)S1	REAL300003888942	1	35	-2.0	-122.82	315.41	6.84	-115.98
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2=NN(C3=CC=CC=C3F)C(C)=CC2=O)S1	REAL300003888956	1	38	-2.0	-148.84	358.84	8.00	-140.84
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2C(=O)C3=CC=CC=C3C2=O)S1	REAL300003888957	1	33	-2.0	-131.44	320.47	5.08	-126.36
CCN1C(=O)N(CC(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)C2=CC=CC=C21	REAL300003888973	1	39	-2.0	-131.34	356.65	7.58	-123.76
C=C1C2=CC=CC=C2C(=O)N1CC(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003888976	1	35	-2.0	-131.27	330.05	6.52	-124.75
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2C(=O)N(C)C3=CC=CC=C32)S1	REAL300003888985	1	36	-2.0	-130.60	334.85	6.63	-123.97
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=C3NC(=O)CCC3=C2)S1	REAL300003888988	1	38	-2.0	-121.55	344.01	4.91	-116.64
COC1=CC=CC(OCC(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)=C1	REAL300003888991	1	34	-2.0	-125.30	313.66	5.03	-120.27
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2=NN(CC3=CC=CC=C3)C(=O)CC2)S1	REAL300003888992	1	40	-2.0	-113.22	363.84	6.29	-106.93
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN(C)S(=O)(=O)C2=CC=CC=C2)S1	REAL300003888994	1	37	-2.0	-132.19	349.94	3.61	-128.58
CC(=O)NC1=CC=C(SC(C)C(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)C=C1	REAL300003888995	1	40	-2.0	-126.95	373.67	5.97	-120.98
COC1=CC=CC(SCC(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)=C1	REAL300003888996	1	34	-2.0	-120.54	323.26	5.66	-114.88
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2=NN(CC3=CC=C(F)C=C3)C(=O)CC2)S1	REAL300003888998	1	40	-2.0	-111.26	370.24	6.36	-104.90
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC(Cl)=CC=C2Cl)S1	REAL300003889016	1	30	-2.0	-120.30	316.93	6.79	-113.51
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(NC(=O)C2=CC=CC=C2)C2=CC=CC=C2)S1	REAL300003889017	1	43	-2.0	-121.65	389.00	7.80	-113.85
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C4OCCOC4=C3)CCCC2)S1	REAL300003889018	1	45	-2.0	-127.22	374.88	7.70	-119.52
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCCN2S(C)(=O)=O)S1	REAL300003889026	1	37	-2.0	-122.28	322.46	2.64	-119.64
CC(=O)NC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1)C1CCCC1	REAL300003889027	1	39	-2.0	-126.59	332.86	4.44	-122.15
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC(C(F)(F)F)=C3)CCCC2)S1	REAL300003889031	1	42	-2.0	-131.20	369.17	9.52	-121.68
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C(C)C)N2C(=O)C3=CC=CC=C3C2=O)S1	REAL300003889046	1	42	-2.0	-133.95	370.26	8.96	-124.99
COC1=CC=C(C(=O)NC(C(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)C(C)C)C=C1	REAL300003889048	1	46	-2.0	-114.64	387.87	5.97	-108.67
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(NC(=O)C2=CC(C)=CC=C2)C(C)C)S1	REAL300003889050	1	45	-2.0	-116.18	379.89	7.32	-108.86
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(NC(=O)C2=CC=CO2)C(C)C)S1	REAL300003889056	1	39	-2.0	-117.26	348.16	4.80	-112.46
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(CC(C)C)NC(=O)C2=CC=CC=C2C)S1	REAL300003889064	1	48	-2.0	-116.96	401.64	8.08	-108.88
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2=C(C)C=C(C)NC2=O)S1	REAL300003889081	1	32	-2.0	-139.52	293.44	4.01	-135.51
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)NC(=O)C2=CC=CS2)S1	REAL300003889087	1	33	-2.0	-115.39	322.30	3.57	-111.82
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2=CC3=C(CCCC3)NC2=O)S1	REAL300003889091	1	36	-2.0	-138.53	318.45	5.14	-133.39
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)OC2=CC=CC(Cl)=C2)S1	REAL300003889092	1	36	-2.0	-115.05	329.44	7.15	-107.90
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=C(F)C=C2Cl)S1	REAL300003889093	1	33	-2.0	-120.36	324.49	6.91	-113.45
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC=C3F)CC2)S1	REAL300003889098	1	33	-2.0	-129.88	311.55	7.12	-122.76
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(SC3=CC=CC=C3)CCCC2)S1	REAL300003889103	1	40	-2.0	-123.16	349.78	8.61	-114.55
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2=CC(=O)NC3=CC=C([N+](=O)[O-])C=C32)S1	REAL300003889111	1	34	-2.0	-125.39	327.14	5.95	-119.44
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CC3=CC(F)=CC=C3O2)S1	REAL300003889112	1	31	-2.0	-120.03	297.46	6.16	-113.87
CCC(OC1CCCC1)C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003889113	1	39	-2.0	-122.52	335.58	6.84	-115.68
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2=NNC3=CC=CC=C3C2=O)S1	REAL300003889115	1	31	-2.0	-143.76	298.72	5.01	-138.75
CCN(CC)S(=O)(=O)CC(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003889118	1	36	-2.0	-128.97	332.06	1.94	-127.03
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2CCCC(C)C2)S1	REAL300003889119	1	39	-2.0	-124.08	330.48	6.55	-117.53
CC1=NOC(COCC(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)=N1	REAL300003889120	1	31	-2.0	-123.90	301.30	1.82	-122.08
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2N=CN3N=CC=C3C2=O)S1	REAL300003889121	1	31	-2.0	-128.23	303.55	4.09	-124.14
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)S(C)(=O)=O)S1	REAL300003889122	1	31	-2.0	-139.93	290.00	1.06	-138.87
CCCC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1)C1=CC=CC=C1	REAL300003889129	1	38	-2.0	-119.53	329.97	8.77	-110.76
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=C(C)C=C(C)C=C2C)S1	REAL300003889134	1	39	-2.0	-124.43	347.38	7.86	-116.57
CC1=C(C(=O)[O-])N=C([N-]C(=O)CNC(=O)CC2=CC=CC=C2)S1	REAL300003889135	1	36	-2.0	-113.28	334.21	4.39	-108.89
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)NS(=O)(=O)C2=CC=C(C)C=C2)S1	REAL300003889136	1	40	-2.0	-116.31	370.04	2.93	-113.38
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=C(C(C)C)C(C)=C2)S1	REAL300003889142	1	42	-2.0	-123.07	361.80	8.19	-114.88
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC=C3)CC2)S1	REAL300003889144	1	33	-2.0	-122.29	297.55	8.08	-114.21
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C(Cl)C=C3)CC2)S1	REAL300003889145	1	33	-2.0	-118.55	314.28	8.59	-109.96
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(NC(=O)CC2=CC=CC=C2)C(C)C)S1	REAL300003889149	1	45	-2.0	-114.21	383.10	7.33	-106.88
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(NC(=O)C2=CC=CC=C2C)C(C)C)S1	REAL300003889150	1	45	-2.0	-116.19	374.57	7.34	-108.85
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2N=C3C=CC=CN3C2=O)S1	REAL300003889157	1	32	-2.0	-134.66	308.96	5.60	-129.06
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C(Br)C=C3)CC2)S1	REAL300003889158	1	33	-2.0	-118.52	318.85	8.69	-109.83
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=C(OC3=CC=C(C)C=C3)C=C2)S1	REAL300003889160	1	44	-2.0	-121.29	394.28	9.25	-112.04
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)NC(=O)C(C)(C)C)S1	REAL300003889161	1	38	-2.0	-113.54	333.20	3.50	-110.04
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C(Br)C=C3)CCC2)S1	REAL300003889165	1	36	-2.0	-119.07	334.88	8.91	-110.16
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC(Cl)=C3)CCC2)S1	REAL300003889169	1	36	-2.0	-118.97	330.74	8.77	-110.20
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C(F)C=C3)CCC2)S1	REAL300003889170	1	36	-2.0	-119.12	319.99	8.36	-110.76
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC(F)=C3)CCC2)S1	REAL300003889171	1	36	-2.0	-118.86	320.41	8.32	-110.54
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC(C)=CC=C3)CCC2)S1	REAL300003889172	1	39	-2.0	-123.64	335.46	8.91	-114.73
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC(Cl)=C3)CCCCC2)S1	REAL300003889174	1	42	-2.0	-119.35	359.04	9.63	-109.72
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN(C)S(=O)(=O)C2=CC=C(C)C(C)=C2)S1	REAL300003889176	1	43	-2.0	-114.53	387.18	4.83	-109.70
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=CC(Cl)=C2Cl)S1	REAL300003889180	1	33	-2.0	-124.36	333.25	7.30	-117.06
COC1=CC=C(COCC(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)C=C1	REAL300003889188	1	37	-2.0	-122.61	339.23	5.53	-117.08
COC1=CC=C(CSCC(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)C=C1[N+](=O)[O-]	REAL300003889200	1	39	-2.0	-124.92	375.21	7.99	-116.93
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=CC(NC(=O)C3CC3)=C2)S1	REAL300003889201	1	41	-2.0	-123.92	371.35	6.21	-117.71
CC1=C(C(=O)[O-])N=C([N-]C(=O)CNC2=CC=CC=C2Cl)S1	REAL300003889203	1	31	-2.0	-117.08	302.53	4.78	-112.30
CSC1=CC=C(OC(C)C(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)C=C1	REAL300003889207	1	37	-2.0	-121.69	341.99	7.35	-114.34
CC1=NN=NN1C(CC1=CC=CC=C1)C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003889208	1	40	-2.0	-121.39	365.44	6.68	-114.71
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC=CC(F)=C2)S1	REAL300003889214	1	35	-2.0	-122.92	314.28	6.92	-116.00
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC=CC(Cl)=C2)S1	REAL300003889224	1	35	-2.0	-121.01	324.61	7.36	-113.65
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)C2=CC(C)=CC=C2)S1	REAL300003889226	1	35	-2.0	-119.97	313.59	7.10	-112.87
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CS3)CCCCC2)S1	REAL300003889228	1	39	-2.0	-120.81	336.93	8.21	-112.60
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2=CC3=C(CCCCC3)NC2=O)S1	REAL300003889231	1	39	-2.0	-139.37	333.46	5.62	-133.75
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=CC=C2OCC2=CC=CC=C2)S1	REAL300003889258	1	44	-2.0	-131.07	395.18	9.47	-121.60
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC=C(OCC(C)C)C=C2)S1	REAL300003889259	1	48	-2.0	-122.03	400.80	8.57	-113.46
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=CC=C2Br)S1	REAL300003889261	1	33	-2.0	-124.76	322.47	6.95	-117.81
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2N=CC3=CC=CC=C32)S1	REAL300003889262	1	32	-2.0	-125.38	303.94	5.49	-119.89
COC1=CC=C(C(C)C(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)C=C1	REAL300003889264	1	36	-2.0	-118.78	321.65	5.74	-113.04
CC1=C(C(=O)[O-])N=C([N-]C(=O)CNC(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])S1	REAL300003889265	1	35	-2.0	-127.27	353.91	4.89	-122.38
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C)CCCN(C(=O)C3=CC=CC=C3)C2)S1	REAL300003889268	1	46	-2.0	-127.40	384.25	7.76	-119.64
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C)CCCN2C(=O)C2=CC=CC=C2)S1	REAL300003889269	1	43	-2.0	-135.57	361.34	7.90	-127.67
COC1=CC=CC(C2(C(=O)[N-]C3=NC(C(=O)[O-])=C(C)S3)CCCC2)=C1	REAL300003889273	1	43	-2.0	-134.97	359.96	7.81	-127.16
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2C(=O)CCC3=CC=CC=C32)S1	REAL300003889282	1	37	-2.0	-128.35	330.42	6.59	-121.76
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=CC=C2F)S1	REAL300003889285	1	32	-2.0	-118.49	297.20	6.46	-112.03
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=C(Cl)C=C2C)S1	REAL300003889293	1	36	-2.0	-119.35	338.84	7.52	-111.83
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)S1	REAL300003889302	1	34	-2.0	-155.63	322.11	3.59	-152.04
CC1=C(C(=O)[O-])N=C([N-]C(=O)CSC2=CC=C(Cl)C=C2)S1	REAL300003889309	1	30	-2.0	-114.97	310.50	6.88	-108.09
CC1=C(C(=O)[O-])N=C([N-]C(=O)CNC2=NS(=O)(=O)C3=CC=CC=C32)S1	REAL300003889311	1	35	-2.0	-117.82	339.31	1.58	-116.24
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CC(=O)N(C)C3=CC=CC=C32)S1	REAL300003889319	1	37	-2.0	-124.93	329.09	6.00	-118.93
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CC3=CC=CC=C3S2)S1	REAL300003889320	1	31	-2.0	-121.55	299.37	6.78	-114.77
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CC(=O)NC3=CC(F)=CC=C32)S1	REAL300003889325	1	34	-2.0	-118.71	319.47	4.37	-114.34
CC1=C(C(=O)[O-])N=C([N-]C(=O)CSC2=CC=C(C(C)(C)C)C=C2)S1	REAL300003889326	1	42	-2.0	-118.69	369.93	8.68	-110.01
CC1=C(C(=O)[O-])N=C([N-]C(=O)CNC(=O)NCC2=CC=C(F)C=C2)S1	REAL300003889327	1	38	-2.0	-111.96	356.57	3.16	-108.80
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(NC(=O)NCC2=CC=CC=C2)C(C)C)S1	REAL300003889331	1	47	-2.0	-115.11	401.80	5.10	-110.01
CC(=O)NCC(=O)NCC(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003889349	1	33	-2.0	-113.86	312.89	-0.92	-114.78
CC1=C(C(=O)[O-])N=C(NC(=O)C2=CC(C)=CC=C2[N-]S(C)(=O)=O)S1	REAL300003889350	1	37	-2.0	-122.25	343.10	4.08	-118.17
CC1=C(C(=O)[O-])N=C([N-]C(=O)COCCOC2=CC=CC=C2)S1	REAL300003889354	1	37	-2.0	-127.10	339.65	5.97	-121.13
COC1=CC=CC(COCC(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)=C1	REAL300003889356	1	37	-2.0	-124.45	339.24	5.53	-118.92
COC1=CC=CC(COC(C)C(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)=C1	REAL300003889357	1	40	-2.0	-127.60	359.46	6.23	-121.37
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC(F)=C3)CC2)S1	REAL300003889366	1	33	-2.0	-117.69	303.96	8.14	-109.55
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2SCCC3=CC=CC=C32)S1	REAL300003889375	1	34	-2.0	-127.99	313.79	7.21	-120.78
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2=CNC(=O)N(C)C2=O)S1	REAL300003889376	1	29	-2.0	-120.58	280.02	2.18	-118.40
CCC(NC1=C([N+](=O)[O-])C(C)=NN1C)C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003889382	1	42	-2.0	-127.42	371.49	4.76	-122.66
CC1=C(C(=O)[O-])N=C([N-]C(=O)CS(=O)(=O)C(C)C)S1	REAL300003889397	1	31	-2.0	-135.07	295.47	1.39	-133.68
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC(F)=C3)CCCCC2)S1	REAL300003889399	1	42	-2.0	-119.43	348.71	9.17	-110.26
COC1=CC(C2(C(=O)[N-]C3=NC(C(=O)[O-])=C(C)S3)CCCC2)=CC=C1C	REAL300003889401	1	46	-2.0	-127.09	379.99	8.59	-118.50
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2=CC3=C(CC(C)(C)CC3=O)NC2=O)S1	REAL300003889402	1	41	-2.0	-148.46	358.10	5.18	-143.28
CC1=C(C(=O)[O-])N=C([N-]C(=O)CNC(=O)CCC2=CC=C(C)C=C2)S1	REAL300003889403	1	42	-2.0	-112.42	377.03	5.87	-106.55
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C(OCC(C)C)C=C3)CCC2)S1	REAL300003889409	1	49	-2.0	-122.97	406.53	10.01	-112.96
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2CCCCC2C)S1	REAL300003889410	1	39	-2.0	-124.08	329.46	6.59	-117.49
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=CC(Cl)=C2C)S1	REAL300003889412	1	33	-2.0	-120.61	318.29	6.88	-113.73
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CCN(C3=CC=C(F)C=C3)C2=O)S1	REAL300003889417	1	37	-2.0	-124.76	336.33	6.41	-118.35
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CCN(C3=CC=C(Cl)C=C3)C2=O)S1	REAL300003889418	1	37	-2.0	-124.61	346.64	6.86	-117.75
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC(C)=CC=C3)CC2)S1	REAL300003889420	1	36	-2.0	-122.93	318.98	8.74	-114.19
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2C=CC3=CC=C(Cl)C=C32)S1	REAL300003889422	1	33	-2.0	-119.00	325.12	7.87	-111.13
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C(F)C=C3)CCCCC2)S1	REAL300003889429	1	42	-2.0	-118.83	348.70	9.17	-109.66
CCC(C)C(C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1)C1=CC=CC=C1	REAL300003889436	1	41	-2.0	-120.46	344.88	9.08	-111.38
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)NC2=NS(=O)(=O)C3=CC=CC=C32)S1	REAL300003889447	1	38	-2.0	-119.10	359.84	2.38	-116.72
CC1=NOC(C)=C1CSCC(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003889448	1	35	-2.0	-119.78	336.81	6.03	-113.75
CC1=C(C(=O)[O-])N=C([N-]C(=O)CSCC2=CC(C)=CC=C2)S1	REAL300003889450	1	36	-2.0	-120.13	341.09	7.92	-112.21
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2=NNC(=O)C3=CC=CC=C32)S1	REAL300003889451	1	31	-2.0	-115.37	294.98	3.04	-112.33
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)OC2=CC=C(F)C=C2)S1	REAL300003889466	1	36	-2.0	-117.40	319.21	6.66	-110.74
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C2=CC=CC=C2)C2=CC=CC=C2)S1	REAL300003889476	1	39	-2.0	-125.22	346.00	9.16	-116.06
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)OC2=CC=C(Cl)C=C2)S1	REAL300003889482	1	36	-2.0	-116.88	329.53	7.12	-109.76
CC1=C(C(=O)[O-])N=C([N-]C(=O)CSC2=CC3=CC=CC=C3C=C2)S1	REAL300003889492	1	36	-2.0	-120.66	339.86	8.63	-112.03
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC=C3F)CCCC2)S1	REAL300003889494	1	39	-2.0	-123.57	330.99	8.56	-115.01
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC(F)=C3)CCCC2)S1	REAL300003889495	1	39	-2.0	-131.86	336.81	8.61	-123.25
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(SC2=CC=CC=C2)C2=CC=CC=C2)S1	REAL300003889502	1	40	-2.0	-127.75	377.43	10.03	-117.72
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC3=CC=CC=C3C=C2)S1	REAL300003889503	1	36	-2.0	-125.27	330.19	8.01	-117.26
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCN2C(=O)C2=CC=CS2)S1	REAL300003889505	1	37	-2.0	-138.83	341.23	5.36	-133.47
CCC1=CC=CC=C1OCC(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003889506	1	36	-2.0	-123.69	325.87	7.20	-116.49
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=CC=C2CC2=CC=CC=C2)S1	REAL300003889507	1	43	-2.0	-130.76	383.65	10.22	-120.54
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2COC3=CC=CC=C3O2)S1	REAL300003889510	1	32	-2.0	-122.37	299.69	5.32	-117.05
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC=C3)CCC2)S1	REAL300003889525	1	36	-2.0	-122.76	313.60	8.29	-114.47
CC1=C(C(=O)[O-])N=C([N-]C(=O)CSCC2=CC=CC(Cl)=C2)S1	REAL300003889536	1	33	-2.0	-118.96	336.41	7.77	-111.19
CC1=C(C(=O)[O-])N=C([N-]C(=O)CSCC2=CC=C(Cl)C=C2)S1	REAL300003889537	1	33	-2.0	-117.82	336.41	7.78	-110.04
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=C3OC4=C(CCCC4)C3=C2)S1	REAL300003889543	1	43	-2.0	-125.23	375.11	8.76	-116.47
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(NC(=O)CC(C)C)C(C)C)S1	REAL300003889547	1	44	-2.0	-112.37	361.32	5.71	-106.66
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=CC(C(C)C)=C2)S1	REAL300003889549	1	39	-2.0	-123.44	344.38	7.64	-115.80
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=CC(C(C)C)=C2)S1	REAL300003889550	1	42	-2.0	-123.82	362.25	8.22	-115.60
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC(C)=CC=C2C(C)C)S1	REAL300003889551	1	45	-2.0	-126.43	382.06	8.94	-117.49
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=C(C(C)C)C(C)=C2)S1	REAL300003889552	1	45	-2.0	-124.30	379.54	8.77	-115.53
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=CC(F)=C2)S1	REAL300003889553	1	33	-2.0	-120.24	308.46	6.36	-113.88
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)NC(=O)C2CCCC2)S1	REAL300003889554	1	39	-2.0	-113.14	337.80	4.15	-108.99
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)SC2=CC=C([N+](=O)[O-])C=C2)S1	REAL300003889556	1	35	-2.0	-113.38	340.63	7.49	-105.89
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=C(C(C)(C)C)C=C2)S1	REAL300003889566	1	45	-2.0	-123.19	378.21	8.62	-114.57
CC1=C(C(=O)[O-])N=C([N-]C(=O)COCC2=CC=CC=C2)S1	REAL300003889567	1	33	-2.0	-122.15	309.72	6.23	-115.92
CCS(=O)(=O)NC(CCSC)C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003889574	1	40	-2.0	-135.68	379.79	1.87	-133.81
CC(=O)CCC1=CC=C(OC(C)C(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)C=C1	REAL300003889583	1	44	-2.0	-124.96	389.29	8.48	-116.48
CC(=O)C1=CC=CC(OC(C)C(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)=C1	REAL300003889584	1	38	-2.0	-134.19	342.28	6.73	-127.46
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2C=CC3=CC([N+](=O)[O-])=CC=C32)S1	REAL300003889586	1	35	-2.0	-114.59	336.52	8.02	-106.57
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2COC3=CC=CC=C32)S1	REAL300003889588	1	31	-2.0	-119.05	288.54	4.92	-114.13
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2=CC3=CC=CC=C3C(=O)N2)S1	REAL300003889607	1	32	-2.0	-117.57	303.71	4.58	-112.99
CC1=C(C(=O)[O-])N=C([N-]C(=O)CSC2=CC=C3CCCC3=C2)S1	REAL300003889621	1	37	-2.0	-119.98	339.31	8.27	-111.71
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(NC(=O)C2=CC=C(F)C=C2)C(C)C)S1	REAL300003889623	1	42	-2.0	-111.98	364.87	6.73	-105.25
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=CC(C(F)(F)F)=C2)S1	REAL300003889627	1	33	-2.0	-120.89	322.88	6.74	-114.15
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC(C)=CC=C2C)S1	REAL300003889628	1	36	-2.0	-123.34	325.66	7.12	-116.22
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=CC=C2C2=CC=CC=C2)S1	REAL300003889629	1	40	-2.0	-126.88	362.96	9.43	-117.45
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=C(C)C(C)=C2)S1	REAL300003889631	1	36	-2.0	-123.63	322.57	6.95	-116.68
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC(C)=CC=C2C(C)C)S1	REAL300003889632	1	42	-2.0	-125.32	364.19	8.37	-116.95
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=C(OCC3=CC=CC=C3)C=C2)S1	REAL300003889633	1	44	-2.0	-122.19	395.43	9.00	-113.19
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(CC2=CC=CC=C2)NC(=O)C2=CC=CO2)S1	REAL300003889635	1	43	-2.0	-119.12	386.74	6.04	-113.08
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=CC=C2F)S1	REAL300003889636	1	30	-2.0	-127.61	290.40	5.81	-121.80
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=C(Br)C=C2)S1	REAL300003889637	1	30	-2.0	-117.89	305.47	6.36	-111.53
CCC1=CC=C(OCC(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)C=C1	REAL300003889640	1	36	-2.0	-122.21	327.06	7.18	-115.03
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2C=CC(=O)NC2=O)S1	REAL300003889649	1	29	-2.0	-118.80	284.15	1.76	-117.04
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)NC(=O)C2=COC=C2)S1	REAL300003889650	1	33	-2.0	-114.97	313.55	2.53	-112.44
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)NS(=O)(=O)C2=CC=CS2)S1	REAL300003889655	1	34	-2.0	-122.09	338.44	1.21	-120.88
CCCS(=O)(=O)N1CCCCC1C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003889656	1	43	-2.0	-124.78	365.42	4.33	-120.45
CC1=C(C(=O)[O-])N=C([N-]C(=O)CNS(=O)(=O)C2=CC=CS2)S1	REAL300003889657	1	31	-2.0	-118.39	321.28	0.62	-117.77
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN(C)S(C)(=O)=O)S1	REAL300003889658	1	30	-2.0	-110.87	289.61	0.42	-110.45
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=NC(C(=O)[O-])=C(C)S1	REAL300003889659	1	37	-2.0	-123.83	343.17	4.29	-119.54
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCN2S(=O)(=O)C2=CC=CC=C2)S1	REAL300003889660	1	41	-2.0	-141.92	371.54	5.50	-136.42
COC1=CC=C(SC(C)C(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)C=C1	REAL300003889664	1	37	-2.0	-120.61	347.02	6.38	-114.23
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)SC2=CC=CC=C2Cl)S1	REAL300003889665	1	33	-2.0	-121.96	325.47	7.29	-114.67
CC1=C(C(=O)[O-])N=C([N-]C(=O)CNC(=O)CC(C)(C)C)S1	REAL300003889673	1	38	-2.0	-111.15	327.40	3.29	-107.86
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2C=CC3=CC=CC=C32)S1	REAL300003889674	1	33	-2.0	-120.35	308.42	7.36	-112.99
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2N=C(C3=CC=CC=C3)C=CC2=O)S1	REAL300003889676	1	38	-2.0	-132.40	351.53	6.30	-126.10
CCCC(=O)N1CCCC1C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003889681	1	39	-2.0	-136.52	339.00	6.12	-130.40
CCCC(=O)N1CCCCC1C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003889683	1	42	-2.0	-142.16	350.38	6.96	-135.20
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2C=C([N+](=O)[O-])C=CC2=O)S1	REAL300003889684	1	31	-2.0	-118.07	307.64	5.15	-112.92
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OCC2=CC=CC=C2)S1	REAL300003889694	1	36	-2.0	-123.71	329.95	6.93	-116.78
CC1=C(C(=O)[O-])N=C([N-]C(=O)COCCC2=CC=CC=C2)S1	REAL300003889696	1	36	-2.0	-120.93	331.22	7.01	-113.92
COC1=CC=CC=C1C1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)CC1	REAL300003889699	1	37	-2.0	-127.94	334.34	6.44	-121.50
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC=C3C)CC2)S1	REAL300003889700	1	36	-2.0	-122.51	320.88	7.54	-114.97
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=CC(Br)=C2)S1	REAL300003889702	1	33	-2.0	-120.14	323.34	6.92	-113.22
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCN2C2=C3C=CSC3=NC=N2)S1	REAL300003889704	1	39	-2.0	-130.46	356.30	6.08	-124.38
CC1=C(C(=O)[O-])N=C(NC(=O)CN2C(=S)[N-]N=C2C2=CC=C(C)C=C2)S1	REAL300003889707	1	39	-2.0	-131.73	365.56	9.21	-122.52
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN(C)C2=NS(=O)(=O)C3=CC=CC=C32)S1	REAL300003889717	1	38	-2.0	-136.34	353.38	3.31	-133.03
CC1=C(C(=O)[O-])N=C([N-]C(=O)CSC2=CC=C(F)C(F)=C2)S1	REAL300003889729	1	30	-2.0	-113.71	306.47	6.48	-107.23
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC(C(C)C)=CC=C2C)S1	REAL300003889740	1	45	-2.0	-124.40	382.08	8.97	-115.43
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC(C)=CC=C2Cl)S1	REAL300003889741	1	36	-2.0	-125.42	339.24	7.55	-117.87
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=C(Cl)C(Cl)=C2)S1	REAL300003889743	1	33	-2.0	-116.54	333.94	7.28	-109.26
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=C(F)C(Cl)=C2)S1	REAL300003889744	1	30	-2.0	-115.45	306.76	6.31	-109.14
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=C(C3=CC=CC=C3)C=C2)S1	REAL300003889745	1	43	-2.0	-123.86	376.21	9.72	-114.14
CC1=C(C(=O)[O-])N=C([N-]C(=O)CNC(=O)C2=CC=C(Cl)C(Cl)=C2)S1	REAL300003889747	1	33	-2.0	-111.65	341.48	4.69	-106.96
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(NC(=O)C2=CC=C(Cl)C=C2)C(C)C)S1	REAL300003889750	1	42	-2.0	-113.16	377.96	6.48	-106.68
CC1=C(C(=O)[O-])N=C([N-]C(=O)CSC2=NC(C)=CC(C)=N2)S1	REAL300003889753	1	34	-2.0	-123.81	329.48	5.14	-118.67
CSCCC(NC(=O)C1=CC=CC=C1)C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003889756	1	43	-2.0	-116.57	388.55	6.44	-110.13
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(NC(=O)C2=CC=C(C)C=C2)C(C)C)S1	REAL300003889757	1	45	-2.0	-116.17	379.88	7.33	-108.84
CCOCCOC(C)C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003889765	1	36	-2.0	-124.18	325.52	4.10	-120.08
CC1=C(C(=O)[O-])N=C([N-]C(=O)CNC(=O)NC2CCCCC2)S1	REAL300003889768	1	41	-2.0	-113.42	352.51	2.81	-110.61
CC1=C(C(=O)[O-])N=C([N-]C(=O)CNC(=O)NCC2=CC=CO2)S1	REAL300003889770	1	35	-2.0	-113.55	330.91	1.21	-112.34
CCCCSC(C)C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003889773	1	35	-2.0	-119.89	321.32	6.38	-113.51
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCCN2C(=O)C2=CC=CO2)S1	REAL300003889778	1	40	-2.0	-142.57	344.90	6.52	-136.05
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CCC(=O)N2CC2=CC=C(C)C=C2)S1	REAL300003889779	1	43	-2.0	-121.75	383.19	8.07	-113.68
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CC3=C(C=C(C)C(C)=C3)O2)S1	REAL300003889781	1	37	-2.0	-126.34	329.45	7.30	-119.04
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=C(Br)S2)S1	REAL300003889782	1	29	-2.0	-115.29	305.83	6.36	-108.93
CCC(CC)(C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1)C1=CC=CC=C1	REAL300003889785	1	41	-2.0	-123.66	334.73	7.60	-116.06
CCC(OC1=CC=CC=C1F)C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003889789	1	36	-2.0	-129.36	322.97	6.96	-122.40
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)N2N=NC(C3=CC=CC=C3)=N2)S1	REAL300003889796	1	37	-2.0	-124.50	346.48	5.57	-118.93
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2=CC(C3=CC=CC=C3)=C(C)NC2=O)S1	REAL300003889799	1	39	-2.0	-139.56	354.98	6.86	-132.70
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN(C)C2=CC=CC=C2[N+](=O)[O-])S1	REAL300003889801	1	36	-2.0	-133.30	330.97	6.69	-126.61
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=C(Cl)C(Cl)=C2)S1	REAL300003889804	1	32	-2.0	-116.32	324.09	7.41	-108.91
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C(C(C)(C)C)C=C3)CC2)S1	REAL300003889809	1	45	-2.0	-122.82	373.76	10.39	-112.43
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC(C)=CC(C)=C3)CCC2)S1	REAL300003889810	1	42	-2.0	-124.40	362.73	8.93	-115.47
CC1=C(C(=O)[O-])N=C([N-]C(=O)CSCC2=COC(C3=CC=CC=C3)=N2)S1	REAL300003889811	1	39	-2.0	-125.69	376.34	5.65	-120.04
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2N=CC3=CC=CC=C3C2=O)S1	REAL300003889813	1	34	-2.0	-137.01	322.08	4.95	-132.06
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC(Cl)=C3)CCCC2)S1	REAL300003889814	1	39	-2.0	-129.24	347.13	9.05	-120.19
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC(Cl)=C3)CC2)S1	REAL300003889815	1	33	-2.0	-117.96	314.28	8.58	-109.38
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2C=C(Br)C=CC2=O)S1	REAL300003889817	1	29	-2.0	-121.32	300.73	5.10	-116.22
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC(Br)=C3)CC2)S1	REAL300003889818	1	33	-2.0	-117.87	318.85	8.69	-109.18
CC1=C(C(=O)[O-])N=C([N-]C(=O)CS(=O)(=O)NC2CCC(C)CC2)S1	REAL300003889825	1	43	-2.0	-126.82	367.77	2.47	-124.35
CCCC(NC(=O)CC1=CC=CC=C1)C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003889827	1	45	-2.0	-114.78	389.94	6.62	-108.16
CC1=NOC(C)=C1C(C)C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003889829	1	34	-2.0	-114.15	303.75	5.09	-109.06
CC1=C(C(=O)[O-])N=C([N-]C(=O)CNC(=O)CCC2CCCC2)S1	REAL300003889833	1	42	-2.0	-111.47	359.91	4.79	-106.68
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C)CCCC3=CC=CC=C32)S1	REAL300003889834	1	39	-2.0	-121.29	326.39	8.11	-113.18
CCCS(=O)(=O)N1CCCC1C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003889838	1	40	-2.0	-141.76	356.58	4.03	-137.73
COCCN1N=C(C(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)C=CC1=O	REAL300003889841	1	35	-2.0	-116.83	329.13	2.28	-114.55
CC1=NC(CSCC(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)=CS1	REAL300003889844	1	32	-2.0	-122.30	326.27	4.94	-117.36
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2N=NC3=CC=CC=C3C2=O)S1	REAL300003889846	1	33	-2.0	-131.40	317.14	3.52	-127.88
COC(C)(C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1)C1=CC=CC=C1	REAL300003889854	1	36	-2.0	-121.55	315.82	5.26	-116.29
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=C(C)C=C2)S1	REAL300003889867	1	35	-2.0	-120.10	313.57	7.11	-112.99
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC=C(F)C=C2)S1	REAL300003889869	1	35	-2.0	-117.24	314.27	6.92	-110.32
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2CC3=CC=CC=C3C2=O)S1	REAL300003889871	1	34	-2.0	-130.44	319.06	5.68	-124.76
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC=C(C)C=C2)S1	REAL300003889872	1	38	-2.0	-121.70	329.28	7.53	-114.17
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C(=O)NC3CC3)CCC2)S1	REAL300003889873	1	37	-2.0	-116.99	327.36	4.81	-112.18
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)SC2=CC=C(Cl)C=C2)S1	REAL300003889877	1	33	-2.0	-117.45	334.26	7.61	-109.84
CC1=C(C(=O)[O-])N=C([N-]C(=O)CSC2=CC=C(F)C=C2)S1	REAL300003889879	1	30	-2.0	-114.81	300.18	6.43	-108.38
CC1=C(C(=O)[O-])N=C([N-]C(=O)CSC2=CC=CC=C2Cl)S1	REAL300003889887	1	30	-2.0	-120.46	308.79	6.81	-113.65
CC1=C(C(=O)[O-])N=C([N-]C(=O)CSC2=CC=C(C)C=C2)S1	REAL300003889888	1	33	-2.0	-119.14	315.18	7.03	-112.11
CSCCC(NC(=O)C1=CC=CO1)C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003889890	1	40	-2.0	-117.37	372.77	4.44	-112.93
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2SCCC3=C2C=CS3)S1	REAL300003889892	1	31	-2.0	-124.50	306.48	6.37	-118.13
CC1=C(C(=O)[O-])N=C([N-]C(=O)CNS(=O)(=O)CCOC(C)C)S1	REAL300003889893	1	40	-2.0	-119.39	369.00	0.08	-119.31
CCC1=CC=C(C(C)C(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)C=C1	REAL300003889894	1	38	-2.0	-120.33	335.06	7.88	-112.45
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2C3=CC=CC=C3CCCC2=O)S1	REAL300003889899	1	40	-2.0	-128.76	345.36	7.26	-121.50
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC=CC(Br)=C2)S1	REAL300003889901	1	35	-2.0	-120.72	329.17	7.47	-113.25
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CCC(C)(C)C3=CC=CC=C32)S1	REAL300003889902	1	42	-2.0	-123.05	342.80	9.24	-113.81
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)N2C=C([N+](=O)[O-])C=N2)S1	REAL300003889906	1	34	-2.0	-114.69	323.15	5.05	-109.64
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CCOC3=CC=CC=C32)S1	REAL300003889910	1	34	-2.0	-120.22	300.45	6.50	-113.72
CCC(CC)(C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1)C1=CC=C(Cl)C=C1	REAL300003889911	1	41	-2.0	-120.00	350.56	8.08	-111.92
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC(C)=CC=C3)CCCC2)S1	REAL300003889912	1	42	-2.0	-129.44	351.84	9.20	-120.24
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=C(Br)C=C2)S1	REAL300003889934	1	33	-2.0	-118.95	323.10	6.96	-111.99
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC=C(Cl)C=C2)S1	REAL300003889936	1	35	-2.0	-117.16	324.60	7.37	-109.79
COC1=CC=C(C2(C(=O)[N-]C3=NC(C(=O)[O-])=C(C)S3)CCCC2)C=C1	REAL300003889940	1	43	-2.0	-129.58	360.83	7.79	-121.79
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=CC([N+](=O)[O-])=C2)S1	REAL300003889949	1	32	-2.0	-123.91	312.38	6.41	-117.50
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=CC=C2Cl)S1	REAL300003889950	1	33	-2.0	-125.45	318.09	6.84	-118.61
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=C(C(F)(F)F)C=C2)S1	REAL300003889958	1	33	-2.0	-117.05	322.90	6.74	-110.31
CC1=C(C(=O)[O-])N=C([N-]C(=O)CSC2=CC=CC=C2)S1	REAL300003889977	1	30	-2.0	-119.15	293.77	6.36	-112.79
CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003889982	1	43	-2.0	-134.09	370.71	5.91	-128.18
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC(C)=CC=C2)S1	REAL300003889983	1	36	-2.0	-123.98	323.45	6.97	-117.01
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2=NN(CC(C)C)C(=O)C3=CC=CC=C32)S1	REAL300003889984	1	43	-2.0	-118.70	372.92	6.80	-111.90
CC1=C(C(=O)[O-])N=C([N-]C(=O)CSC2=CC=C(Br)C=C2)S1	REAL300003889988	1	30	-2.0	-114.85	315.07	6.98	-107.87
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=C(C)C=CC=C2C)S1	REAL300003889991	1	36	-2.0	-124.65	325.92	7.20	-117.45
CC1=C(C(=O)[O-])N=C([N-]C(=O)CNC(=O)CC2=CC=CC3=CC=CC=C32)S1	REAL300003889994	1	42	-2.0	-116.05	376.90	6.52	-109.53
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)NS(=O)(=O)C2=CC=CC=C2)S1	REAL300003889995	1	37	-2.0	-122.83	346.64	2.18	-120.65
COC1=CC=C(C=CC(=O)NC(C)C(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)C=C1	REAL300003889996	1	44	-2.0	-115.94	394.11	5.06	-110.88
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC(C)=CC=C3)CCCCC2)S1	REAL300003890005	1	45	-2.0	-123.24	363.71	9.77	-113.47
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC=C(Br)C=C2)S1	REAL300003890006	1	35	-2.0	-117.19	329.16	7.48	-109.71
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC(C)=CC(C)=C3)CC2)S1	REAL300003890015	1	39	-2.0	-123.28	340.36	9.40	-113.88
CC1=NN=NN1C(CC1=CC=C(F)C=C1)C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003890017	1	40	-2.0	-117.63	371.85	6.75	-110.88
CC1=NN=NN1C(CC1=CC=CC(F)=C1)C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003890018	1	40	-2.0	-122.35	371.87	6.75	-115.60
CC1=NN(CC(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)C(C)=C1Cl	REAL300003890029	1	32	-2.0	-118.81	314.16	4.83	-113.98
CCCS(=O)(=O)CC(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003890033	1	31	-2.0	-134.94	299.73	1.58	-133.36
CC1=C(C(=O)[O-])N=C([N-]C(=O)CNC2=CC=CC=C2[N+](=O)[O-])S1	REAL300003890036	1	33	-2.0	-129.88	311.05	5.07	-124.81
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=C(Cl)C=C2Cl)S1	REAL300003890038	1	30	-2.0	-119.49	316.93	6.78	-112.71
CC1=C(C(=O)[O-])N=C([N-]C(=O)CNC(=O)C2=CC=CC=C2)S1	REAL300003890042	1	33	-2.0	-115.13	309.60	3.71	-111.42
CC1=C(C(=O)[O-])N=C([N-]C(=O)CSC2=CC(C)=CC=C2C)S1	REAL300003890044	1	36	-2.0	-120.01	333.68	7.60	-112.41
CC1=C(C(=O)[O-])N=C([N-]C(=O)C23CC4CC(CC(Cl)(C4)C2)C3)S1	REAL300003890055	1	40	-2.0	-122.86	333.42	7.60	-115.26
COC1=CC=CC=C1C(=O)NC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1)C(C)C	REAL300003890058	1	46	-2.0	-120.30	385.80	7.09	-113.21
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)NC(=O)C2=CC=CC([N+](=O)[O-])=C2)S1	REAL300003890059	1	38	-2.0	-112.45	358.35	5.23	-107.22
CC1=NOC(C)=C1S(=O)(=O)NC(C)C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003890063	1	39	-2.0	-116.50	359.93	1.16	-115.34
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CC3=CC=CC=C3O2)S1	REAL300003890064	1	31	-2.0	-125.58	291.04	6.09	-119.49
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=C(C)C=C2Br)S1	REAL300003890069	1	36	-2.0	-124.54	343.88	7.61	-116.93
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2=C(C)C(C)=NNC2=O)S1	REAL300003890076	1	31	-2.0	-125.90	286.05	2.53	-123.37
CC1=C(C(=O)[O-])N=C([N-]C(=O)CSCC2=CC(=O)N3C=CSC3=N2)S1	REAL300003890080	1	35	-2.0	-127.28	356.31	6.28	-121.00
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(F)(F)C2=CC=CC=C2)S1	REAL300003890086	0	29	-2.0	-116.90	285.46	6.02	-110.88
COC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1)C1=CC=CC=C1	REAL300003890096	1	33	-2.0	-123.43	307.40	6.00	-117.43
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC=CC=C2)S1	REAL300003890120	1	35	-2.0	-121.04	307.86	6.85	-114.19
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=C(Cl)C=C2Cl)S1	REAL300003890124	1	33	-2.0	-120.57	334.81	7.35	-113.22
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C(F)C=C3)CCCC2)S1	REAL300003890126	1	39	-2.0	-124.75	337.74	8.57	-116.18
CC1=C(C(=O)[O-])N=C([N-]C(=O)CSC2=CC(Cl)=CC=C2Cl)S1	REAL300003890135	1	30	-2.0	-117.17	325.52	7.33	-109.84
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)S(=O)(=O)C2=CC=C(F)C=C2)S1	REAL300003890136	1	35	-2.0	-127.33	338.15	3.65	-123.68
CC1=C(C(=O)[O-])N=C(NC(=O)C2=CC=C(S(=O)(=O)[N-]C(C)(C)C)O2)S1	REAL300003890148	1	40	-2.0	-98.48	367.77	2.63	-95.85
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=NC(C(=O)[O-])=C(C)S2)O1	REAL300003890149	1	31	-2.0	-98.18	314.14	0.10	-98.08
CC1=CC(NC(=O)C(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)=NO1	REAL300003890155	0	29	-2.0	-114.05	284.79	2.66	-111.39
CC1=C(C(=O)[O-])N=C([N-]C(=O)CSC(F)(F)F)S1	REAL300003890159	1	23	-2.0	-109.70	258.04	3.94	-105.76
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2=CC(=O)NC3=CC(F)=CC=C32)S1	REAL300003890166	1	32	-2.0	-117.13	305.17	5.33	-111.80
COC1=CC=C2C(=C1)C=CN2CC(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003890172	1	37	-2.0	-119.82	337.98	6.66	-113.16
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CCN(C3=CC=C(C(C)C)C=C3)C2=O)S1	REAL300003890176	1	46	-2.0	-127.72	390.01	8.30	-119.42
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=CC(Cl)=C2)S1	REAL300003890183	1	33	-2.0	-120.23	318.77	6.82	-113.41
CC1=C(C(=O)[O-])N=C([N-]C(=O)CSCCC(C)C)S1	REAL300003890190	1	35	-2.0	-118.08	320.33	6.31	-111.77
CC1=C(C(=O)[O-])N=C([N-]C(=O)CSCC2=CC=C(Cl)C=C2Cl)S1	REAL300003890191	1	33	-2.0	-117.96	350.47	8.20	-109.76
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OCCC(C)C)S1	REAL300003890192	1	38	-2.0	-121.47	330.61	5.98	-115.49
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OCC2CCCCO2)S1	REAL300003890193	1	40	-2.0	-124.95	345.24	5.19	-119.76
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OCC2CCCO2)S1	REAL300003890194	1	37	-2.0	-129.43	327.12	4.35	-125.08
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2=CC=CN(CC3=CC=CC=C3)C2=O)S1	REAL300003890206	1	39	-2.0	-146.41	356.47	8.57	-137.84
CC1=C(C(=O)[O-])N=C([N-]C(=O)CNC(=O)CC2CCCCC2)S1	REAL300003890208	1	42	-2.0	-111.84	354.06	4.66	-107.18
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)NC(=O)CC2CCCCC2)S1	REAL300003890209	1	45	-2.0	-113.24	374.62	5.52	-107.72
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCN2C(=O)CC(C)(C)C)S1	REAL300003890213	1	45	-2.0	-135.61	370.76	7.08	-128.53
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC=CC=C2C)S1	REAL300003890214	1	38	-2.0	-119.01	317.71	7.16	-111.85
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC=C3OCCOC3=C2)S1	REAL300003890215	1	41	-2.0	-126.63	352.35	6.01	-120.62
CC1=NN(C)C(C)=C1C(C)C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003890217	1	38	-2.0	-123.72	327.10	5.00	-118.72
CC1=C(C(=O)[O-])N=C([N-]C(=O)COCC2CCCO2)S1	REAL300003890218	1	34	-2.0	-127.05	306.90	3.65	-123.40
CC1=CN(CC(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)C2=CC=CC=C12	REAL300003890223	1	36	-2.0	-121.39	330.33	8.04	-113.35
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(OC2CCCC2)C2=CC=CC=C2)S1	REAL300003890233	1	43	-2.0	-125.58	372.89	8.93	-116.65
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC=C(Cl)C(Cl)=C2)S1	REAL300003890236	1	35	-2.0	-113.64	339.78	7.83	-105.81
CC1=C(C(=O)[O-])N=C([N-]C(=O)CSCC(=O)C2=CC=CC=C2)S1	REAL300003890237	1	35	-2.0	-128.53	339.74	7.11	-121.42
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)NS(C)(=O)=O)S1	REAL300003890241	1	33	-2.0	-112.61	297.84	0.21	-112.40
CC1=C(C(=O)[O-])N=C([N-]C(=O)CNC(=O)C2=CC3=CC=CC=C3N2)S1	REAL300003890254	1	37	-2.0	-113.44	343.35	3.66	-109.78
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=CC(F)=C2)S1	REAL300003890264	1	32	-2.0	-114.87	298.58	6.50	-108.37
COC1=CC(OCC(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)=CC=C1[N+](=O)[O-]	REAL300003890269	1	36	-2.0	-116.71	339.66	6.48	-110.23
CC1=C(C(=O)[O-])N=C([N-]C(=O)CNC(=O)C2=NOC(C3=CC=CC=C3)=C2)S1	REAL300003890272	1	39	-2.0	-118.28	368.24	4.73	-113.55
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(S(C)(=O)=O)CCCC2)S1	REAL300003890273	1	35	-2.0	-119.81	313.19	3.27	-116.54
CCC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1)C1=CC=CC=C1	REAL300003890284	1	35	-2.0	-119.05	308.46	8.01	-111.04
CC1=C(C(=O)[O-])N=C([N-]C(=O)C23CC4CC(CC(Br)(C4)C2)C3)S1	REAL300003890291	1	40	-2.0	-122.72	337.92	7.70	-115.02
CC1=CC=C(C(=O)NCC(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)S1	REAL300003890292	1	33	-2.0	-114.95	323.54	3.50	-111.45
CC1=C(C(=O)[O-])N=C([N-]C(=O)CSC2CCS(=O)(=O)C2)S1	REAL300003890293	1	33	-2.0	-123.01	323.22	2.20	-120.81
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(CC2=CC=CC=C2)N2C=NN=N2)S1	REAL300003890310	1	37	-2.0	-106.51	343.70	6.52	-99.99
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(=CC2=CC=C(F)C=C2)C2=CC=CS2)S1	REAL300003890313	1	37	-2.0	-120.33	357.37	9.17	-111.16
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(NC(=O)C2=CC=CC=C2Cl)C(C)C)S1	REAL300003890315	1	42	-2.0	-116.79	373.78	6.48	-110.31
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(NC(=O)C2=CC=CS2)C(C)C)S1	REAL300003890323	1	39	-2.0	-115.27	350.62	5.66	-109.61
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=C(C(C)C)C=C2)S1	REAL300003890330	1	39	-2.0	-122.04	344.37	7.66	-114.38
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=CC=C2C(C)(C)C)S1	REAL300003890334	1	42	-2.0	-123.46	355.34	8.26	-115.20
CC1=CC2=CC=CC=C2N1CC(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003890338	1	36	-2.0	-121.32	327.50	7.80	-113.52
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2C(=O)COC3=CC=C([N+](=O)[O-])C=C32)S1	REAL300003890341	1	37	-2.0	-130.22	350.23	5.29	-124.93
CC1=C(C(=O)[O-])N=C([N-]C(=O)CNC(=O)CC2=CC=CC(F)=C2)S1	REAL300003890348	1	36	-2.0	-112.88	340.63	4.46	-108.42
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(OC2=CC=CC=C2)C2=CC=CC=C2)S1	REAL300003890349	1	40	-2.0	-128.42	361.76	9.33	-119.09
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2CCCCCCC2=O)S1	REAL300003890350	1	39	-2.0	-124.54	320.64	5.56	-118.98
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCC3=CC=CC=C32)S1	REAL300003890357	1	36	-2.0	-122.03	309.27	8.40	-113.63
CC1=C(C(=O)[O-])N=C([N-]C(=O)CS(=O)(=O)CCCC2=CC=CC=C2)S1	REAL300003890360	1	41	-2.0	-137.13	381.14	5.38	-131.75
CC1=C(C(=O)[O-])N=C([N-]C(=O)CS(=O)(=O)C2CCCC2)S1	REAL300003890361	1	35	-2.0	-136.34	320.17	2.72	-133.62
CCCC(=O)N1CSCC1C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003890364	1	37	-2.0	-128.02	336.43	5.90	-122.12
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CSCN2C(=O)CC(C)(C)C)S1	REAL300003890365	1	43	-2.0	-127.35	368.13	6.88	-120.47
CCCCC(=O)N1CSCC1C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003890366	1	40	-2.0	-128.37	357.93	6.68	-121.69
CC1=C(C(=O)[O-])N=C([N-]C(=O)CNC(=O)NCC2=CC=C(Cl)C=C2)S1	REAL300003890372	1	38	-2.0	-111.65	366.90	3.61	-108.04
CC1=C(C(=O)[O-])N=C([N-]C(=O)CNC(=O)CCC(C)C)S1	REAL300003890373	1	38	-2.0	-111.39	334.77	3.46	-107.93
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=CC=C2C(F)(F)F)S1	REAL300003890375	1	36	-2.0	-128.87	339.53	7.35	-121.52
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC(Cl)=CC(Cl)=C2)S1	REAL300003890376	1	33	-2.0	-117.24	335.52	7.33	-109.91
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C(C)C)S(=O)(=O)C2CCCCC2)S1	REAL300003890378	1	47	-2.0	-121.91	382.88	6.03	-115.88
CCSC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1)C(C)C	REAL300003890379	1	35	-2.0	-121.23	312.24	6.41	-114.82
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C2=CC=CC=C2)N2CCCCC2=O)S1	REAL300003890382	1	43	-2.0	-138.07	364.37	8.96	-129.11
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(NC(=O)CC(C)C)C2=CC=CC=C2)S1	REAL300003890383	1	45	-2.0	-117.27	391.85	6.84	-110.43
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC=CC(C(F)(F)F)=C2)S1	REAL300003890384	1	38	-2.0	-122.28	346.60	7.84	-114.44
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CCC3=CC=CC=C32)S1	REAL300003890388	1	33	-2.0	-120.51	298.73	7.00	-113.51
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC(C(F)(F)F)=C3)CC2)S1	REAL300003890393	1	36	-2.0	-122.91	336.63	9.09	-113.82
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=C3OCCOC3=C2)S1	REAL300003890398	1	38	-2.0	-120.94	336.65	5.58	-115.36
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(=O)NCCCC2=CC=CC=C2)S1	REAL300003890403	0	39	-2.0	-114.67	357.57	5.13	-109.54
CC1=C(C(=O)[O-])N=C([N-]C(=O)CSCC(=O)NC2=CC=C(C)C=C2)S1	REAL300003890407	1	40	-2.0	-130.23	374.70	6.20	-124.03
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=C(C)C=C2C)S1	REAL300003890409	1	36	-2.0	-122.88	325.65	7.12	-115.76
CC1=CC(NC(=O)CSCC(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)=NO1	REAL300003890418	1	36	-2.0	-126.27	349.35	4.71	-121.56
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)SCC(=O)NC2=CC=C(F)C=C2)S1	REAL300003890422	1	40	-2.0	-130.85	377.99	6.16	-124.69
CC1=C(C(=O)[O-])N=C(NC(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)S1	REAL300003890424	0	34	-2.0	-122.04	321.70	3.39	-118.65
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCN2S(C)(=O)=O)S1	REAL300003890426	1	34	-2.0	-140.98	313.62	2.35	-138.63
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=CC(Cl)=C2)S1	REAL300003890427	1	30	-2.0	-120.76	300.90	6.25	-114.51
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)SCC2=CC=CC=C2)S1	REAL300003890431	1	36	-2.0	-121.48	338.22	7.84	-113.64
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)SC2=CC(Cl)=CC=C2Cl)S1	REAL300003890432	1	33	-2.0	-115.86	344.05	7.78	-108.08
CC1=C(C(=O)[O-])N=C([N-]C(=O)CSC2=CC=C(C(C)C)C=C2)S1	REAL300003890433	1	39	-2.0	-118.67	353.96	8.28	-110.39
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=CC=C2C(F)(F)F)S1	REAL300003890437	1	33	-2.0	-127.64	321.65	6.79	-120.85
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=C(F)C=C2F)S1	REAL300003890438	1	30	-2.0	-121.91	296.81	5.87	-116.04
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=CC(C(C)(C)C)=C2)S1	REAL300003890442	1	45	-2.0	-125.08	377.98	8.66	-116.42
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=C(Cl)C(C)=C2)S1	REAL300003890446	1	36	-2.0	-119.69	337.50	7.40	-112.29
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C2=CC=CC=C2)N2C=CC=N2)S1	REAL300003890448	1	36	-2.0	-118.92	331.42	6.39	-112.53
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCN2C(=O)C(C)(C)C)S1	REAL300003890459	1	42	-2.0	-138.50	346.70	5.74	-132.76
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CSC3(C)CCC(=O)N23)S1	REAL300003890460	1	35	-2.0	-130.14	324.88	4.75	-125.39
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(SCC2=CC=CC=C2)C(C)C)S1	REAL300003890461	1	42	-2.0	-123.33	375.54	9.03	-114.30
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2OCCC3=CC=CC=C32)S1	REAL300003890466	1	34	-2.0	-126.21	303.36	7.11	-119.10
COC1=CC=C(C(C)(C)C(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)C=C1OC	REAL300003890471	1	43	-2.0	-123.97	366.57	6.05	-117.92
COC1=CC=CC=C1C(C)(C)C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003890472	1	39	-2.0	-123.16	332.63	7.19	-115.97
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2C=CC([N+](=O)[O-])=N2)S1	REAL300003890473	1	28	-2.0	-128.12	285.93	5.01	-123.11
CCOCCC1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)CCCC1	REAL300003890474	1	42	-2.0	-121.30	348.69	6.97	-114.33
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CC3=CC=C(C)C=C3S2)S1	REAL300003890476	1	34	-2.0	-121.44	320.82	7.44	-114.00
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C2=CC=C(Cl)C=C2)C(C)C)S1	REAL300003890485	1	38	-2.0	-115.82	343.45	9.07	-106.75
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCN2C(=O)OC(C)(C)C)S1	REAL300003890490	1	43	-2.0	-134.32	365.68	5.61	-128.71
CCC(OC1=CC=CC=C1)C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003890491	1	36	-2.0	-124.47	317.20	6.91	-117.56
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=CC3=CC=CC=C32)S1	REAL300003890493	1	36	-2.0	-127.55	329.21	8.04	-119.51
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC=C3)CCCC2)S1	REAL300003890494	1	39	-2.0	-128.50	330.42	8.53	-119.97
CCC1=CC=CC(OCC(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)=C1	REAL300003890495	1	36	-2.0	-123.23	327.06	7.18	-116.05
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=CC=C2C(C)C)S1	REAL300003890499	1	39	-2.0	-124.93	342.78	7.71	-117.22
CC1=C(C(=O)[O-])N=C([N-]C(=O)CSC2=CC=C(C)C=C2C)S1	REAL300003890502	1	36	-2.0	-119.63	333.68	7.60	-112.03
CC1=C(C(=O)[O-])N=C([N-]C(=O)C23CC4CC(C)(CC(C)(C4)C2)C3)S1	REAL300003890503	1	46	-2.0	-128.03	358.94	8.15	-119.88
CC1=C(C(=O)[O-])N=C([N-]C(=O)CSCC2=CC=C(F)C=C2)S1	REAL300003890506	1	33	-2.0	-118.07	326.09	7.32	-110.75
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCCN2C(=O)OC(C)(C)C)S1	REAL300003890510	1	46	-2.0	-136.50	376.02	6.66	-129.84
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)NC(=O)OC(C)(C)C)S1	REAL300003890511	1	39	-2.0	-113.65	340.18	2.94	-110.71
CSCCC(NC(=O)OC(C)(C)C)C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003890512	1	46	-2.0	-114.12	398.57	4.72	-109.40
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(NC(=O)OC(C)(C)C)C(C)C)S1	REAL300003890513	1	45	-2.0	-114.71	371.27	4.36	-110.35
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(CC(C)C)NC(=O)OC(C)(C)C)S1	REAL300003890514	1	48	-2.0	-114.54	394.89	5.74	-108.80
CC1=C(C(=O)[O-])N=C([N-]C(=O)CNC(=O)OC(C)(C)C)S1	REAL300003890515	1	36	-2.0	-112.49	319.62	2.03	-110.46
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)NC(=O)OC(C)(C)C)S1	REAL300003890519	1	42	-2.0	-113.21	352.85	3.40	-109.81
CC1=C(C(=O)[O-])N=C([N-]C(=O)[C@@H](NC(=O)OC(C)(C)C)C2=CC=CC=C2)S1	REAL300003890520	1	46	-2.0	-118.76	400.19	6.30	-112.46
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN(C)C(=O)OC(C)(C)C)S1	REAL300003890521	1	39	-2.0	-124.00	340.64	4.92	-119.08
CC1=C(C(=O)[O-])N=C([N-]C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)S1	REAL300003890528	1	48	-2.0	-114.39	385.58	5.73	-108.66
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(NC(=O)OC(C)(C)C)CCCC2)S1	REAL300003890529	1	46	-2.0	-127.44	374.75	5.59	-121.85
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C2=CC=CC=C2)C(C)C)S1	REAL300003890530	1	38	-2.0	-119.72	326.72	8.56	-111.16
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=CC=C2F)S1	REAL300003890532	1	33	-2.0	-128.94	308.29	6.37	-122.57
CCCCS(=O)(=O)N1CCCC1C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003890533	1	43	-2.0	-142.06	378.08	4.81	-137.25
CCC(OC1CCCCC1)C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003890535	1	42	-2.0	-124.96	346.52	7.14	-117.82
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC(C)=CC=C2F)S1	REAL300003890540	1	33	-2.0	-127.52	311.80	6.46	-121.06
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(SC3=CC=C(C)C=C3)CCCC2)S1	REAL300003890541	1	43	-2.0	-123.59	371.16	9.27	-114.32
CC1=NN(C)C(C)=C1OCC(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003890542	1	36	-2.0	-123.90	332.10	4.68	-119.22
COC1=CC=C(OCC(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)C=C1C	REAL300003890545	1	37	-2.0	-122.06	333.73	5.77	-116.29
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(OCC3=CC=CC=C3)CCOCC2)S1	REAL300003890547	1	44	-2.0	-124.51	375.95	6.17	-118.34
CC1=C(C(=O)[O-])N=C([N-]C(=O)C23CCC(CC2Br)C3)S1	REAL300003890548	1	33	-2.0	-123.11	303.93	6.23	-116.88
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=CC(OCC(C)C)=C2)S1	REAL300003890549	1	43	-2.0	-125.21	377.12	7.46	-117.75
COC1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)CCN(C(=O)OC(C)(C)C)CC1	REAL300003890552	1	50	-2.0	-117.16	395.68	7.53	-109.63
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC(Br)=C3)CCC2)S1	REAL300003890554	1	36	-2.0	-118.93	335.30	8.88	-110.05
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C(C)C)N2N=NC(C3=CC=CC=C3)=N2)S1	REAL300003890556	1	43	-2.0	-125.50	381.76	7.89	-117.61
CC1=C(C(=O)[O-])N=C([N-]C(=O)[C@@H](C)NC(=O)OC(C)(C)C)S1	REAL300003890557	1	39	-2.0	-113.67	340.18	2.94	-110.73
CC1=C(C(=O)[O-])N=C([N-]C(=O)[C@H]2CCCCN2C(=O)OC(C)(C)C)S1	REAL300003890558	1	46	-2.0	-136.01	375.01	6.61	-129.40
CC1=C(C(=O)[O-])N=C([N-]C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)S1	REAL300003890559	1	43	-2.0	-134.09	364.58	5.57	-128.52
CC1=C(C(=O)[O-])N=C([N-]C(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)S1	REAL300003890560	1	46	-2.0	-136.06	375.01	6.61	-129.45
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003890561	1	46	-2.0	-114.16	398.57	4.72	-109.44
COC1=CC=CC(C(C)C(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)=C1	REAL300003890562	1	36	-2.0	-119.54	321.67	5.72	-113.82
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC=C3C)CCOCC2)S1	REAL300003890563	1	43	-2.0	-120.91	347.05	6.58	-114.33
CC1=NC([N+](=O)[O-])=CN1CC(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003890565	1	31	-2.0	-114.99	307.30	6.41	-108.58
CCOC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1)C1=CC=CC=C1	REAL300003890566	1	36	-2.0	-124.15	329.25	6.94	-117.21
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC=C3C)CCCCC2)S1	REAL300003890573	1	45	-2.0	-121.79	354.46	8.86	-112.93
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CSCN2C(=O)OC(C)(C)C)S1	REAL300003890576	1	41	-2.0	-125.44	361.92	5.82	-119.62
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)C2=C(Cl)C=CC=C2Cl)S1	REAL300003890577	1	32	-2.0	-117.76	313.67	7.12	-110.64
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C)S1	REAL300003890579	1	48	-2.0	-114.39	385.56	5.73	-108.66
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2CN(C(=O)OC(C)(C)C)C2)S1	REAL300003890583	1	44	-2.0	-132.25	384.17	4.86	-127.39
CCC(OC1=CC=CC=C1Cl)C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003890584	1	36	-2.0	-125.93	332.77	7.43	-118.50
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=C3CCCCC3=C2)S1	REAL300003890586	1	40	-2.0	-123.75	346.90	8.23	-115.52
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)S(=O)(=O)C2CCOCC2)S1	REAL300003890596	1	39	-2.0	-117.75	345.17	2.11	-115.64
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(CC3=CC=CC=C3)CC3CCC2C3)S1	REAL300003890597	1	46	-2.0	-130.71	370.12	9.47	-121.24
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)C2=CC3=CC=CC=C3O2)S1	REAL300003890602	1	35	-2.0	-126.66	323.16	7.47	-119.19
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C(C)C)N2CCCS2(=O)=O)S1	REAL300003890607	1	40	-2.0	-146.88	335.90	3.92	-142.96
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C(Cl)C(Cl)=C3)CCC2)S1	REAL300003890608	1	36	-2.0	-119.21	345.91	9.23	-109.98
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)CNC(=O)OC(C)(C)C)S1	REAL300003890609	1	45	-2.0	-123.39	377.06	4.21	-119.18
CCC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1)C1=CC=CC(C(F)(F)F)=C1	REAL300003890612	1	38	-2.0	-113.78	347.53	9.03	-104.75
COC1=CC=C(C(C)C(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)C=C1OC	REAL300003890613	1	40	-2.0	-119.74	350.89	5.63	-114.11
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C2=CC=CC(Cl)=C2)C(C)C)S1	REAL300003890625	1	38	-2.0	-115.16	343.42	9.08	-106.08
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2N=NC(C3=CC=C(C)C=C3)=N2)S1	REAL300003890626	1	37	-2.0	-123.02	348.35	5.57	-117.45
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2N=NC(C3=CC=C(Cl)C=C3)=N2)S1	REAL300003890627	1	34	-2.0	-118.71	343.66	5.41	-113.30
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2CC(C)CCC2C(C)C)S1	REAL300003890640	1	48	-2.0	-125.78	385.34	8.31	-117.47
CCC(C)C1=CC=CC=C1OCC(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003890641	1	42	-2.0	-125.83	361.23	8.36	-117.47
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CSC3=CC=CC=C32)S1	REAL300003890643	1	31	-2.0	-117.79	295.83	6.67	-111.12
CCC(OC1=CC=CC=C1C)C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003890646	1	39	-2.0	-124.62	336.81	7.61	-117.01
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(CC3=CC=CC(Cl)=C3)CCCC2)S1	REAL300003890650	1	42	-2.0	-120.89	367.28	10.65	-110.24
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(CC3=CC=CC=C3)CCC2)S1	REAL300003890651	1	39	-2.0	-123.61	331.62	9.53	-114.08
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(CC3=CC=CC=C3)CC2)S1	REAL300003890653	1	36	-2.0	-121.85	317.29	9.33	-112.52
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=CC(Cl)=C2)S1	REAL300003890659	1	32	-2.0	-114.98	308.90	6.94	-108.04
CCC(OC1CCCC(C)C1)C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003890660	1	45	-2.0	-127.28	365.27	7.83	-119.45
COC1=CC=C(C(C)(C)C(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)C=C1	REAL300003890666	1	39	-2.0	-121.92	337.35	6.15	-115.77
COCCC1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)CCCC1	REAL300003890670	1	39	-2.0	-120.74	326.83	6.00	-114.74
CCC(OC1=CC=CC(C)=C1)C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003890675	1	39	-2.0	-125.23	338.28	7.63	-117.60
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=C(S(C)(=O)=O)C=C2)S1	REAL300003890677	1	36	-2.0	-127.15	344.85	3.26	-123.89
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=C3CCCC3=C2)S1	REAL300003890680	1	40	-2.0	-124.48	347.55	8.21	-116.27
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)SC2=CC=CC=C2)S1	REAL300003890684	1	33	-2.0	-121.89	317.82	7.10	-114.79
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2CCCS2(=O)=O)S1	REAL300003890687	1	31	-2.0	-131.10	297.85	0.70	-130.40
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(NC(=O)OC(C)(C)C)CC2)S1	REAL300003890690	1	40	-2.0	-124.57	352.36	3.51	-121.06
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2C=C([N+](=O)[O-])C=N2)S1	REAL300003890694	1	28	-2.0	-117.23	285.62	4.05	-113.18
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN(CC2CC2)C(=O)OC(C)(C)C)S1	REAL300003890711	1	46	-2.0	-127.80	389.93	7.40	-120.40
CC1=C(C(=O)[O-])N=C([N-]C(=O)CSCC2=CC=CS2)S1	REAL300003890724	1	30	-2.0	-119.33	309.91	6.34	-112.99
CCOC1=CC=C(SCC(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)C=C1	REAL300003890726	1	37	-2.0	-117.85	345.10	6.58	-111.27
COC1=CC=C(SCC(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)C=C1	REAL300003890734	1	34	-2.0	-118.10	323.25	5.65	-112.45
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=C(C)C=C2Br)S1	REAL300003890736	1	33	-2.0	-123.37	326.00	7.05	-116.32
CCOC1=CC=C(OC(C)(C)C(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)C=C1	REAL300003890738	1	43	-2.0	-120.49	364.06	6.82	-113.67
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=C(Cl)C3=CC=CC=C23)S1	REAL300003890742	1	36	-2.0	-121.34	343.57	8.45	-112.89
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=CC=C2OCC(F)(F)F)S1	REAL300003890745	1	37	-2.0	-132.72	354.84	6.88	-125.84
CCCCCS(=O)(=O)CC(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003890746	1	37	-2.0	-134.88	342.73	3.14	-131.74
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC=CC=C2Cl)S1	REAL300003890750	1	35	-2.0	-120.98	316.02	7.09	-113.89
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC(C)=C(Cl)C(C)=C2)S1	REAL300003890756	1	36	-2.0	-119.12	338.34	7.41	-111.71
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2COCCN2C(=O)OC(C)(C)C)S1	REAL300003890760	1	44	-2.0	-131.42	366.09	4.19	-127.23
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C)CCCN2C(=O)OC(C)(C)C)S1	REAL300003890761	1	46	-2.0	-127.83	376.37	6.99	-120.84
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C(C)C=C3)CCOCC2)S1	REAL300003890765	1	43	-2.0	-120.23	355.43	7.45	-112.78
CCC(SC1=CC=CC=C1)C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003890766	1	36	-2.0	-119.23	332.14	7.53	-111.70
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OC2CCCCCC2)S1	REAL300003890772	1	42	-2.0	-122.52	339.24	6.84	-115.68
CC1=C(C(=O)[O-])N=C([N-]C(=O)CSC2=NN=CN2C(C)C)S1	REAL300003890773	1	35	-2.0	-120.17	333.95	6.92	-113.25
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCCN2C(=O)C2=CC=CC=C2)S1	REAL300003890775	1	43	-2.0	-143.41	368.33	8.41	-135.00
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(=O)C2=CN(C3=CC=CC=C3)N=C2)S1	REAL300003890790	0	35	-2.0	-120.67	332.75	6.25	-114.42
COCCCS(=O)(=O)NCC(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003890795	1	37	-2.0	-121.38	348.37	-0.84	-122.22
CC1=C(C(=O)[O-])N=C([N-]C(=O)CNC(=O)C2=CC=C(C(F)(F)F)C=C2)S1	REAL300003890799	1	36	-2.0	-110.30	348.30	4.71	-105.59
CC1=C(C(=O)[O-])N=C([N-]C(=O)CSCC(F)(F)F)S1	REAL300003890818	1	26	-2.0	-116.36	278.68	4.66	-111.70
CC1=CSC2=NC=C(C(=O)[N-]C3=NC(C(=O)[O-])=C(C)S3)C(=O)N12	REAL300003890828	1	31	-2.0	-136.22	303.49	5.42	-130.80
CC1=C(C(=O)[O-])N=C([N-]C(=O)CNC(=O)C2=CC3=C(CCC3)S2)S1	REAL300003890839	1	37	-2.0	-115.51	347.62	4.73	-110.78
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCC3=C2C=CS3)S1	REAL300003890855	1	33	-2.0	-120.33	302.72	7.33	-113.00
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=C(Cl)S2)S1	REAL300003890860	1	29	-2.0	-115.20	301.18	6.25	-108.95
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2C3=CC=CC=C3OC3=CC=CC=C32)S1	REAL300003890877	1	38	-2.0	-126.52	344.55	8.49	-118.03
COC1=CC=C(C(=O)NCC(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)C=C1	REAL300003890880	1	37	-2.0	-113.57	339.00	3.01	-110.56
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2=CC(=O)NC3=CC=CC=C32)S1	REAL300003890881	1	32	-2.0	-123.89	299.04	5.31	-118.58
COC1=CC=C(C(=O)NCC(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)C=C1OC	REAL300003890882	1	41	-2.0	-113.90	368.21	2.93	-110.97
CC1=C(C(=O)[O-])N=C([N-]C(=O)CNC(=O)C2=CC=C(C(C)(C)C)C=C2)S1	REAL300003890883	1	45	-2.0	-114.41	385.71	6.03	-108.38
CCOC1=CC=CC=C1C(=O)NCC(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003890885	1	40	-2.0	-119.90	358.78	5.19	-114.71
CC1=C(C(=O)[O-])N=C([N-]C(=O)CNC(=O)C2=CC=CS2)S1	REAL300003890886	1	30	-2.0	-114.35	301.75	2.71	-111.64
CC1=C(C(=O)[O-])N=C([N-]C(=O)CNC(=O)C2=CC=CC(F)=C2)S1	REAL300003890887	1	33	-2.0	-111.46	316.01	3.78	-107.68
CC1=C(C(=O)[O-])N=C([N-]C(=O)CNC(=O)C2=CC=CC(Br)=C2)S1	REAL300003890888	1	33	-2.0	-111.43	330.89	4.32	-107.11
COC1=CC=CC(C(=O)NCC(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)=C1	REAL300003890889	1	37	-2.0	-115.24	339.08	3.01	-112.23
CC1=C(C(=O)[O-])N=C([N-]C(=O)CNC(=O)C2=CC=C3OCOC3=C2)S1	REAL300003890890	1	36	-2.0	-112.47	335.62	2.38	-110.09
CCOC1=CC=C(C(=O)NCC(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)C=C1	REAL300003890891	1	40	-2.0	-113.26	360.85	3.95	-109.31
CC1=C(C(=O)[O-])N=C([N-]C(=O)CNC(=O)C2=CC=C([N+](=O)[O-])C(C)=C2)S1	REAL300003890892	1	38	-2.0	-109.82	353.74	4.89	-104.93
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2=CC=C(C3=CC=CO3)NC2=O)S1	REAL300003890901	1	33	-2.0	-136.35	315.27	4.48	-131.87
COC1=CC=C(C2(C(=O)[N-]C3=NC(C(=O)[O-])=C(C)S3)CCCC2)C=C1OC	REAL300003890904	1	47	-2.0	-129.47	389.12	7.76	-121.71
CC1=C(C(=O)[O-])N=C([N-]C(=O)CSC2=CC=CC(Br)=C2)S1	REAL300003890908	1	30	-2.0	-116.73	315.07	6.97	-109.76
CCOCCC1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)CCC1	REAL300003890924	1	39	-2.0	-122.48	334.71	5.22	-117.26
CCC1=NNC(=O)C(C(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)=C1CC	REAL300003890927	1	37	-2.0	-126.19	324.49	4.07	-122.12
CC1=C(C)N2C(=NC=C(C(=O)[N-]C3=NC(C(=O)[O-])=C(C)S3)C2=O)S1	REAL300003890937	1	34	-2.0	-135.49	322.30	6.11	-129.38
COC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1)C1=CC=CC=C1	REAL300003890939	1	33	-2.0	-123.43	307.40	6.00	-117.43
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=C(Br)C=C2)S1	REAL300003890946	1	32	-2.0	-115.62	313.46	7.06	-108.56
CCC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1)C1=CC=C(F)C=C1	REAL300003890954	1	35	-2.0	-116.23	318.14	7.19	-109.04
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(NS(C)(=O)=O)C(C)(C)C)S1	REAL300003890962	1	39	-2.0	-113.00	342.96	1.85	-111.15
CC1=C(C(=O)[O-])N=C([N-]C(=O)CC(=O)NCC(F)(F)F)S1	REAL300003890966	1	29	-2.0	-123.88	292.14	3.18	-120.70
CCOC1=CC=CC=C1C(F)(F)C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003890970	0	36	-2.0	-123.92	334.56	6.33	-117.59
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2=NN(C3=CC=CC=C3F)C(=O)C=C2)S1	REAL300003890984	1	35	-2.0	-121.71	340.86	5.83	-115.88
CC1=C(C(=O)[O-])N=C([N-]C(=O)CSC2=CC=C(Cl)C=C2[N+](=O)[O-])S1	REAL300003890995	1	32	-2.0	-122.36	334.11	7.39	-114.97
CC1=C(C(=O)[O-])N=C([N-]C(=O)[C@@H]2CCCN2C(=O)NC(C)C)S1	REAL300003890999	1	41	-2.0	-139.51	353.41	4.04	-135.47
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2COC3=CC=C(Br)C=C32)S1	REAL300003891003	1	31	-2.0	-118.97	311.49	5.56	-113.41
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C(F)C=C3F)CCC2)S1	REAL300003891005	1	36	-2.0	-117.38	322.23	8.05	-109.33
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C(F)C=C3F)CCCC2)S1	REAL300003891006	1	39	-2.0	-117.95	338.07	8.56	-109.39
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(OC2=CC=CC(Cl)=C2)C(C)C)S1	REAL300003891010	1	39	-2.0	-121.37	348.60	8.83	-112.54
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN(C)S(=O)(=O)C2=CC=CN=C2)S1	REAL300003891014	1	36	-2.0	-115.99	343.79	1.83	-114.16
CC1=C(C(=O)[O-])N=C(NC(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)S1	REAL300003891017	0	34	-2.0	-113.77	328.12	3.47	-110.30
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=NC(C(=O)[O-])=C(C)S1	REAL300003891023	1	40	-2.0	-124.40	364.67	5.08	-119.32
CC1=C(C(=O)[O-])N=C([N-]C(=O)[C@H](C)NC(=O)C2CCCCC2)S1	REAL300003891024	1	42	-2.0	-113.62	355.95	4.81	-108.81
CO[C@@H](C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1)C1=CC=CC=C1	REAL300003891074	1	33	-2.0	-123.46	307.40	5.99	-117.47
CCC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1)C1=CC=C(OC)C=C1	REAL300003891082	1	39	-2.0	-119.43	341.23	6.42	-113.01
CCOC1=CC=C(C(C)(C)C(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)C=C1OCC	REAL300003891089	1	49	-2.0	-125.10	410.28	7.89	-117.21
CCC1=CC=C(C(C)(C)C(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)C=C1	REAL300003891091	1	41	-2.0	-121.62	350.76	8.29	-113.33
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2=C(C)C(C)=NN(C)C2=O)S1	REAL300003891103	1	34	-2.0	-128.25	306.68	4.15	-124.10
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2=C(C)N=C(C(C)(C)C)NC2=O)S1	REAL300003891104	1	40	-2.0	-130.42	347.25	5.12	-125.30
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=C(OC3=CC=CC=N3)C=C2)S1	REAL300003891105	1	40	-2.0	-124.40	370.62	6.11	-118.29
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2C3=CC=CC=C3C(=O)C3=CC=CC=C32)S1	REAL300003891136	1	41	-2.0	-130.24	367.18	8.79	-121.45
CC1=NN(CC(F)(F)F)C(C)=C1C(C)C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003891140	1	41	-2.0	-125.50	364.56	6.24	-119.26
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=CC=C2Br)S1	REAL300003891148	1	30	-2.0	-123.67	304.59	6.38	-117.29
CC1=C(C(=O)[O-])N=C([N-]C(=O)CNC(=O)COC2=CC=CC=C2)S1	REAL300003891154	1	37	-2.0	-113.82	343.14	4.28	-109.54
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)NC(=O)C2=CC=CO2)S1	REAL300003891155	1	33	-2.0	-116.91	314.39	2.57	-114.34
CC1=C(C(=O)[O-])N=C([N-]C(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)S1	REAL300003891162	1	50	-2.0	-112.38	389.16	6.30	-106.08
CC1=C(C(=O)[O-])N=C([N-]C(=O)C23CCC(=O)N2C2=CC=CC=C2S3)S1	REAL300003891163	1	36	-2.0	-125.64	341.08	6.48	-119.16
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCCS2(=O)=O)S1	REAL300003891171	1	32	-2.0	-136.77	298.02	1.57	-135.20
CC(=O)N(CCC1=CC=CC=C1)CC(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003891176	1	42	-2.0	-118.32	374.17	7.57	-110.75
COC1=CC2=CC=C([C@H](C)C(=O)[N-]C3=NC(C(=O)[O-])=C(C)S3)C=C2C=C1	REAL300003891190	1	42	-2.0	-122.97	367.42	7.98	-114.99
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C2=CC=CC=C2)C2CC2)S1	REAL300003891201	1	36	-2.0	-121.13	324.70	7.95	-113.18
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)C2=C(F)C=CC=C2F)S1	REAL300003891202	1	32	-2.0	-122.81	299.52	6.43	-116.38
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(CC3=CC=CC=C3F)CC2)S1	REAL300003891206	1	36	-2.0	-118.90	324.37	9.36	-109.54
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=CC3=CC=CC=C32)S1	REAL300003891216	1	39	-2.0	-128.61	346.84	8.64	-119.97
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(S(C)(=O)=O)CCC2)S1	REAL300003891221	1	32	-2.0	-116.55	299.19	2.04	-114.51
CCC(CC)(C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1)C1=CC=C(OC)C(OC)=C1	REAL300003891225	1	49	-2.0	-126.44	393.45	6.82	-119.62
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C(C(F)(F)F)C=C3)CC2)S1	REAL300003891230	1	36	-2.0	-117.91	336.28	9.07	-108.84
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC=C(OC(F)(F)F)C=C2)S1	REAL300003891244	1	39	-2.0	-115.73	353.84	6.64	-109.09
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC=C(Cl)C=C2F)S1	REAL300003891245	1	35	-2.0	-121.69	326.90	7.34	-114.35
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(CC3=CC=CC=C3Cl)CC2)S1	REAL300003891249	1	36	-2.0	-118.06	331.90	9.71	-108.35
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(CC3=CC=CC(F)=C3)CCC2)S1	REAL300003891253	1	39	-2.0	-119.29	338.77	9.66	-109.63
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(F)C2=CC=C(C(F)(F)F)C=C2)S1	REAL300003891256	1	32	-2.0	-114.69	317.98	6.92	-107.77
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)COCC2=CC=CC=C2)S1	REAL300003891258	1	42	-2.0	-117.55	369.03	7.35	-110.20
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2COC3=C2C=C(C)C(C)=C3)S1	REAL300003891261	1	37	-2.0	-123.47	329.26	6.17	-117.30
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2C3=CC=CC=C3N=C2C(F)(F)F)S1	REAL300003891264	1	35	-2.0	-120.09	340.33	6.93	-113.16
C=CCC1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)CCOCC1	REAL300003891282	1	37	-2.0	-118.42	310.45	5.56	-112.86
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(OC3=CC=CC=C3)CC2)S1	REAL300003891294	1	34	-2.0	-117.23	314.29	7.30	-109.93
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=C(F)C=CC=C3F)CCC2)S1	REAL300003891295	1	36	-2.0	-126.97	328.42	7.63	-119.34
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2N=NN=C2C2=CSC=C2)S1	REAL300003891305	1	31	-2.0	-119.52	309.38	3.80	-115.72
CC1=C(C(=O)[O-])N=C([N-]C(=O)CC2=NC(C3CC3)=NN2C)S1	REAL300003891307	1	35	-2.0	-122.25	324.70	5.36	-116.89
CC1=C(C(=O)[O-])N=C([N-]C(=O)[C@@H]2CCCN2C(=O)C2CC2)S1	REAL300003891309	1	37	-2.0	-138.59	327.15	6.07	-132.52
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C)CCC3=CC=CC=C32)S1	REAL300003891310	1	36	-2.0	-121.25	316.93	7.45	-113.80
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C(C)C=C3)CCC2)S1	REAL300003891311	1	39	-2.0	-123.26	335.41	8.93	-114.33
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC=C3F)CCC2)S1	REAL300003891312	1	36	-2.0	-127.22	316.74	8.80	-118.42
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2C=CC3=CC=C(F)C=C32)S1	REAL300003891313	1	33	-2.0	-120.11	314.82	7.43	-112.68
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CCC3=CC(Br)=CC=C32)S1	REAL300003891317	1	33	-2.0	-115.92	318.87	7.58	-108.34
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2COCCN2CC(F)(F)F)S1	REAL300003891319	1	35	-2.0	-114.84	318.67	1.89	-112.95
CC1=C(C(=O)[O-])N=C([N-]C(=O)COCCC2=CC=CC(F)=C2)S1	REAL300003891335	1	36	-2.0	-120.32	337.64	7.08	-113.24
CC1=C(C(=O)[O-])N=C([N-]C(=O)COCC(C)C2=CC=CC=C2)S1	REAL300003891336	1	39	-2.0	-121.31	348.04	7.53	-113.78
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CCOC3=CC=C(Br)C=C32)S1	REAL300003891337	1	34	-2.0	-118.61	321.75	7.10	-111.51
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCC3=C(O)C=CC=C32)S1	REAL300003891339	1	37	-2.0	-119.58	318.98	5.64	-113.94
CCC1CCCCC1OCC(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003891340	1	42	-2.0	-124.62	347.84	7.23	-117.39
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CCS(=O)(=O)N2)S1	REAL300003891343	1	28	-2.0	-119.79	273.96	-1.51	-121.30
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC(F)=CC(C(F)(F)F)=C3)CC2)S1	REAL300003891348	1	36	-2.0	-116.57	342.99	9.17	-107.40
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(N3C=NN=N3)CCCCC2)S1	REAL300003891351	1	37	-2.0	-110.39	316.75	5.95	-104.44
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC=C3Cl)CCC2)S1	REAL300003891352	1	36	-2.0	-124.71	330.22	7.87	-116.84
COC1=CC=C2C(=C1)C1=C(CCCC1)N2CC(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003891361	1	47	-2.0	-123.97	400.52	9.01	-114.96
COC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1)C1=CC=CC=C1Br	REAL300003891362	1	33	-2.0	-121.08	321.72	7.07	-114.01
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C(C)C(C)=C3)CCOCC2)S1	REAL300003891379	1	46	-2.0	-121.19	372.49	7.98	-113.21
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C(C(F)(F)F)C=C3)CCC2)S1	REAL300003891380	1	39	-2.0	-118.40	352.74	9.25	-109.15
COC1=CC=C2CCCC(C(=O)[N-]C3=NC(C(=O)[O-])=C(C)S3)C2=C1	REAL300003891393	1	40	-2.0	-126.68	338.81	7.70	-118.98
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCS2(=O)=O)S1	REAL300003891397	1	29	-2.0	-130.79	276.97	2.07	-128.72
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(F)(F)C2=CC=CC=C2OC(C)C)S1	REAL300003891399	0	39	-2.0	-124.71	352.36	6.96	-117.75
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2=C(C)C3=CC=CC=C3C(=O)N2)S1	REAL300003891400	1	35	-2.0	-117.97	315.80	5.13	-112.84
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=C(Cl)C=C2)S1	REAL300003891402	1	32	-2.0	-115.59	308.89	6.96	-108.63
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC(OC(F)(F)F)=C3)CC2)S1	REAL300003891411	1	37	-2.0	-121.69	343.56	7.86	-113.83
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C(C(C)C)C=C3)CCCCC2)S1	REAL300003891421	1	51	-2.0	-122.80	401.37	11.00	-111.80
COC1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)CCC(F)(F)CC1	REAL300003891426	1	36	-2.0	-112.33	302.65	7.00	-105.33
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2C=C(C3CC3)C=N2)S1	REAL300003891428	1	33	-2.0	-123.80	306.77	5.47	-118.33
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C(F)(F)F)CCCCC2)S1	REAL300003891447	1	35	-2.0	-116.53	306.33	6.43	-110.10
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)OC2=CC=C(Br)C=C2)S1	REAL300003891448	1	36	-2.0	-116.81	334.10	7.23	-109.58
COC1=CC=CC=C1C(F)(F)C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003891450	0	33	-2.0	-122.53	312.71	5.41	-117.12
COCCCN1N=C(C(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)C=CC1=O	REAL300003891453	1	38	-2.0	-115.08	350.94	3.02	-112.06
COC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1)C1CCOC1	REAL300003891456	1	34	-2.0	-119.34	301.81	3.57	-115.77
CC1=C(C(=O)[O-])N=C([N-]C(=O)CC2=NN(C(C)(C)C)N=N2)S1	REAL300003891457	1	36	-2.0	-125.13	328.63	3.48	-121.65
COC1=CC=C(OC(C)(C)C(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)C=C1	REAL300003891460	1	40	-2.0	-119.87	342.31	5.88	-113.99
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(CC(C)C)C2=CC=C(Cl)C=C2)S1	REAL300003891461	1	41	-2.0	-117.29	366.56	8.81	-108.48
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(N3C=NN=N3)CCOCC2)S1	REAL300003891464	1	35	-2.0	-108.68	308.70	3.49	-105.19
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)OC2=CC=CC=C2)S1	REAL300003891467	1	36	-2.0	-120.27	312.71	6.64	-113.63
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC=C3C)CCC2)S1	REAL300003891468	1	39	-2.0	-122.73	332.48	7.91	-114.82
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(F)(F)C2=CC=C(Br)C=C2)S1	REAL300003891475	0	29	-2.0	-111.76	306.75	6.64	-105.12
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CC3=CC=CC=C3CO2)S1	REAL300003891478	1	34	-2.0	-124.31	307.64	6.34	-117.97
COC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1)C1CCCCC1	REAL300003891479	1	39	-2.0	-124.51	323.06	6.82	-117.69
COC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1)C1=CC=C(F)C=C1	REAL300003891486	1	33	-2.0	-118.00	313.99	6.05	-111.95
CCCC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1)C1=CC=CC(Cl)=C1	REAL300003891487	1	38	-2.0	-115.08	346.70	9.28	-105.80
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CC3=C(Cl)C=CC=C32)S1	REAL300003891488	1	30	-2.0	-118.26	297.04	6.96	-111.30
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OCC2=CC=C(C)C=C2)S1	REAL300003891492	1	39	-2.0	-124.13	351.12	7.65	-116.48
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OCC2=CC=CC=C2C)S1	REAL300003891502	1	39	-2.0	-126.31	345.88	7.67	-118.64
CC1=C(C(=O)[O-])N=C([N-]C(=O)[C@@H]2OCCO[C@@H]2C2=CC=CC=C2)S1	REAL300003891505	1	38	-2.0	-123.62	325.97	6.90	-116.72
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC=C3)CCCCCC2)S1	REAL300003891512	1	45	-2.0	-122.28	352.28	9.48	-112.80
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C(F)(F)F)CCOCC2)S1	REAL300003891521	1	33	-2.0	-112.83	296.75	4.04	-108.79
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2C3=CC=CC=C3SC3=CC=CC=C32)S1	REAL300003891522	1	40	-2.0	-126.20	363.08	9.29	-116.91
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC(F)=CC(F)=C3)CCCC2)S1	REAL300003891527	1	39	-2.0	-122.83	343.26	8.66	-114.17
CCOC1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)CCOCC1	REAL300003891533	1	37	-2.0	-120.77	306.75	5.42	-115.35
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(F)(F)N2C=C(C3=CC=CC=C3)N=N2)S1	REAL300003891546	0	35	-2.0	-122.05	339.94	5.60	-116.45
CCCC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1)C1=CC=C(Cl)C=C1	REAL300003891554	1	38	-2.0	-115.59	346.70	9.29	-106.30
COC1=CC=CC(C(OC)C(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)=C1	REAL300003891556	1	37	-2.0	-123.11	337.08	5.27	-117.84
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)OC2=CC=C(C(F)(F)F)C=C2)S1	REAL300003891562	1	39	-2.0	-116.42	351.43	7.64	-108.78
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)S1	REAL300003891563	1	39	-2.0	-120.89	362.72	9.67	-111.22
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CCC3=CC(F)=CC=C32)S1	REAL300003891566	1	33	-2.0	-115.70	303.98	7.03	-108.67
CC1=C(C(=O)[O-])N=C([N-]C(=O)COCC2=CC=CC=C2C)S1	REAL300003891568	1	36	-2.0	-125.54	325.90	6.91	-118.63
CC1=C(C(=O)[O-])N=C([N-]C(=O)COCC2=CC(C)=CC=C2)S1	REAL300003891569	1	36	-2.0	-122.69	331.14	6.89	-115.80
CC1=C(C(=O)[O-])N=C([N-]C(=O)COCC2=CC=C(C)C=C2)S1	REAL300003891570	1	36	-2.0	-122.45	331.14	6.90	-115.55
CC1=C(C(=O)[O-])N=C([N-]C(=O)[C@H](C)OC2=CC=C(Cl)C=C2Cl)S1	REAL300003891574	1	33	-2.0	-120.51	334.57	7.39	-113.12
COCC1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)CCCCC1	REAL300003891583	1	39	-2.0	-124.52	322.45	5.55	-118.97
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC=C3)CC2(C)C)S1	REAL300003891584	1	39	-2.0	-122.98	337.71	8.29	-114.69
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC(Cl)=C3)CC(C)C2)S1	REAL300003891587	1	39	-2.0	-122.67	347.02	8.92	-113.75
COC1=CC=C(C2(C(=O)[N-]C3=NC(C(=O)[O-])=C(C)S3)CCC2)C=C1OC	REAL300003891588	1	44	-2.0	-124.23	371.57	7.43	-116.80
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=C(Cl)C=CC=C3Cl)CCC2)S1	REAL300003891589	1	36	-2.0	-122.30	340.02	8.43	-113.87
COC1=CC=C(C(=O)NC2=NC(C(=O)[O-])=C(C)S2)C([O-])=C1	REAL300003891590	1	31	-2.0	-136.74	288.56	5.13	-131.61
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC=C(C3=CC=CC=C3)C=C2)S1	REAL300003891593	1	45	-2.0	-123.83	382.02	10.27	-113.56
COC(C)(C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1)C1=CC=CC=C1F	REAL300003891594	1	36	-2.0	-122.44	314.23	6.42	-116.02
CC1=C(C(=O)[O-])N=C([N-]C(=O)[C@@H]2CC[C@H](CC3=CC=CC=C3)O2)S1	REAL300003891605	1	40	-2.0	-129.53	353.31	7.97	-121.56
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3CCCCO3)CCC2)S1	REAL300003891609	1	40	-2.0	-127.75	329.70	7.29	-120.46
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C([N+](=O)[O-])C=C3)CCC2)S1	REAL300003891610	1	38	-2.0	-117.07	341.80	8.96	-108.11
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC=CC(C(F)(F)F)=N2)S1	REAL300003891611	1	37	-2.0	-113.86	344.68	6.42	-107.44
CC1=CN(CC(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)N=C1C(F)(F)F	REAL300003891624	1	32	-2.0	-123.75	317.09	4.94	-118.81
CC1=NOC(C2(C(=O)[N-]C3=NC(C(=O)[O-])=C(C)S3)CCOCC2)=C1	REAL300003891632	1	39	-2.0	-117.14	337.85	4.75	-112.39
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCN2CC2=CC=C(Cl)C=C2)S1	REAL300003891638	1	41	-2.0	-125.09	363.16	6.10	-118.99
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC=C3)CC3(CCC3)C2)S1	REAL300003891650	1	43	-2.0	-125.25	359.54	10.01	-115.24
CC1=CN(C(C)(C)C(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)N=C1C(F)(F)F	REAL300003891651	1	38	-2.0	-116.59	352.27	5.91	-110.68
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)C2CCCCO2)S1	REAL300003891652	1	39	-2.0	-117.32	320.48	5.16	-112.16
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C(Cl)C=C3Cl)CCCC2)S1	REAL300003891656	1	39	-2.0	-121.25	358.61	8.82	-112.43
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(CC2=CC=CC=C2)C(C)C)S1	REAL300003891657	1	44	-2.0	-121.11	351.29	9.21	-111.90
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC=C3C)CCCC2)S1	REAL300003891658	1	42	-2.0	-124.41	343.80	8.37	-116.04
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C)COC3=CC=CC=C3O2)S1	REAL300003891668	1	35	-2.0	-123.37	316.93	5.11	-118.26
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)N2C=CC(C(F)(F)F)=N2)S1	REAL300003891679	1	32	-2.0	-107.75	314.20	4.66	-103.09
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OCC2=CC(C)=CC=C2)S1	REAL300003891685	1	39	-2.0	-124.35	351.36	7.59	-116.76
CC1=C(C(=O)[O-])N=C([N-]C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)S1	REAL300003891693	1	31	-2.0	-117.64	286.05	3.92	-113.72
CCC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1)C1=CC=C(Br)C=C1	REAL300003891695	1	35	-2.0	-116.23	333.03	7.74	-108.49
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CC3=CC=C(Cl)C=C32)S1	REAL300003891698	1	30	-2.0	-117.86	298.23	7.01	-110.85
CC1=C(C(=O)[O-])N=C([N-]C(=O)COCC2=CC=NN2C)S1	REAL300003891711	1	33	-2.0	-124.14	310.56	3.91	-120.23
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2C=CC(C)=CC2=O)S1	REAL300003891712	1	32	-2.0	-127.68	300.89	5.16	-122.52
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC=CN=C2)S1	REAL300003891716	1	34	-2.0	-117.84	302.96	5.05	-112.79
CCOC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1)C1CCOC1	REAL300003891719	1	37	-2.0	-122.06	317.53	4.26	-117.80
COC1=CC=CC(C(C)(C)C(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)=C1	REAL300003891723	1	39	-2.0	-126.53	337.36	6.15	-120.38
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2COCCN2C2CCCC2)S1	REAL300003891739	1	42	-2.0	-122.40	338.32	3.05	-119.35
CCCC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1)C1=CC=CC=N1	REAL300003891742	1	37	-2.0	-118.22	323.02	6.97	-111.25
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CN=C3)CCCC2)S1	REAL300003891744	1	38	-2.0	-122.84	325.42	6.71	-116.13
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CCC3=CC=CN=C32)S1	REAL300003891745	1	32	-2.0	-123.73	293.60	5.17	-118.56
CCOC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1)C1CCOCC1	REAL300003891756	1	40	-2.0	-120.35	339.05	5.62	-114.73
CCOC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1)C1CCCC1	REAL300003891757	1	39	-2.0	-124.65	325.89	7.23	-117.42
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(=O)C2=CC=C(F)C=C2)S1	REAL300003891765	0	28	-2.0	-112.17	278.22	5.11	-107.06
CC1=C(C(=O)[O-])N=C([N-]C(=O)[C@]2(C3=CC=CC=C3)C[C@@H](F)C2)S1	REAL300003891767	1	36	-2.0	-116.76	319.49	8.30	-108.46
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(F)(F)C2=CC=C(C(C)(C)C)C=C2)S1	REAL300003891770	0	41	-2.0	-117.13	361.65	8.34	-108.79
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC=C(C(F)(F)F)C=C2)S1	REAL300003891778	1	38	-2.0	-116.56	346.60	7.85	-108.71
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC=C(F)C=C2F)S1	REAL300003891779	1	35	-2.0	-121.72	316.57	6.88	-114.84
C=CCCCC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1)C1=CC=CC=C1	REAL300003891783	1	42	-2.0	-121.99	368.93	9.18	-112.81
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C)OCCC3=CC=CC=C32)S1	REAL300003891784	1	37	-2.0	-122.22	321.02	5.75	-116.47
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC(Cl)=CC=C2C)S1	REAL300003891785	1	33	-2.0	-119.92	320.98	6.97	-112.95
CC1=C(C(=O)[O-])N=C([N-]C(=O)C23CC(C(C)(C)C)(C2)C3)S1	REAL300003891786	1	39	-2.0	-122.03	337.32	7.29	-114.74
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2CCCCS2(=O)=O)S1	REAL300003891792	1	34	-2.0	-137.22	312.75	1.59	-135.63
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CCOC3=C(F)C=CC=C32)S1	REAL300003891795	1	34	-2.0	-117.27	307.77	6.61	-110.66
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2N=C(C(F)F)C=C2C2CC2)S1	REAL300003891798	1	36	-2.0	-124.87	341.88	6.13	-118.74
COC1=CC(OC)=CC(C2(C(=O)[N-]C3=NC(C(=O)[O-])=C(C)S3)CCCC2)=C1	REAL300003891802	1	47	-2.0	-132.14	389.39	7.14	-125.00
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3CCCCO3)CCOCC2)S1	REAL300003891803	1	44	-2.0	-120.57	342.82	7.02	-113.55
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2CCC(C)CC2)S1	REAL300003891812	1	39	-2.0	-124.17	330.48	6.54	-117.63
CC1=C(C(=O)[O-])N=C([N-]C(=O)[C@@H]2[C@@H](C3=CC=CC=C3)C2(F)F)S1	REAL300003891829	1	33	-2.0	-118.34	313.21	7.28	-111.06
COC1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)CCSC1	REAL300003891855	1	31	-2.0	-117.66	287.46	3.43	-114.23
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3CCCCC3)CC2)S1	REAL300003891857	1	39	-2.0	-123.39	323.78	7.66	-115.73
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C4OCCOC4=C3)CC2)S1	REAL300003891858	1	39	-2.0	-126.41	342.03	7.23	-119.18
CC1=C(C(=O)[O-])N=C([N-]C(=O)COCCC2=CC=C(Br)C=C2)S1	REAL300003891868	1	36	-2.0	-118.53	352.52	7.63	-110.90
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2=CC3=C(CCOC3)NC2=O)S1	REAL300003891870	1	34	-2.0	-136.56	309.43	2.72	-133.84
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C)CCCS2(=O)=O)S1	REAL300003891873	1	32	-2.0	-132.30	294.20	2.74	-129.56
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C#N)CC3CCC2C3)S1	REAL300003891880	1	34	-2.0	-116.83	297.41	5.63	-111.20
COC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1)C1=CC=C(Br)S1	REAL300003891882	1	30	-2.0	-118.92	320.08	5.78	-113.14
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)SC2=CC=C(F)C=C2)S1	REAL300003891891	1	33	-2.0	-117.20	323.94	7.15	-110.05
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C)CCOC3=CC=CC=C32)S1	REAL300003891912	1	37	-2.0	-118.75	318.39	6.16	-112.59
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC=C3)CCCO2)S1	REAL300003891913	1	37	-2.0	-123.71	325.35	6.06	-117.65
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C)CCC3=C(C)C(O)=C(C)C(C)=C3O2)S1	REAL300003891914	1	47	-2.0	-124.27	386.26	5.50	-118.77
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CCS(=O)(=O)C3=CC=CC=C32)S1	REAL300003891936	1	36	-2.0	-123.70	332.36	3.35	-120.35
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2C=C(S(N)(=O)=O)C=N2)S1	REAL300003891955	1	31	-2.0	-123.21	311.82	-1.81	-125.02
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=C(S(N)(=O)=O)C=C2)S1	REAL300003891956	1	35	-2.0	-124.10	338.33	0.70	-123.40
CC1=NC(S(=O)(=O)NCC(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)=CN1C	REAL300003891960	1	37	-2.0	-125.61	352.88	0.50	-125.11
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2=NC(C)=C(C)NC2=O)S1	REAL300003891964	1	31	-2.0	-146.07	291.46	2.75	-143.32
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CCC3=CC(C)=CC=C3O2)S1	REAL300003891978	1	37	-2.0	-126.41	330.26	7.55	-118.86
COC1=COC(C(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)=CC1=O	REAL300003891980	1	29	-2.0	-118.30	284.07	3.23	-115.07
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CCC(=O)C3=CC=CN32)S1	REAL300003891987	1	33	-2.0	-112.01	299.84	5.91	-106.10
CC1=C(C(=O)[O-])N=C([N-]C(=O)CNS(=O)(=O)C2=CN(C)C=N2)S1	REAL300003891994	1	34	-2.0	-125.08	333.35	0.70	-124.38
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(CC3=CC=CS3)CCCCC2)S1	REAL300003892002	1	42	-2.0	-123.10	350.76	9.66	-113.44
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2COCCN2CC(F)F)S1	REAL300003892016	1	35	-2.0	-116.43	312.09	1.75	-114.68
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(Br)C(C)(C)C)S1	REAL300003892022	1	31	-2.0	-114.58	287.80	5.08	-109.50
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2=CC=C(C(F)(F)F)NC2=O)S1	REAL300003892025	1	29	-2.0	-125.46	294.71	3.64	-121.82
CC1=C(C(=O)[O-])N=C([N-]C(=O)CNS(=O)(=O)C2=CC=CN=C2)S1	REAL300003892026	1	33	-2.0	-118.82	324.36	-0.18	-119.00
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCCN2CC2=CC=C(F)C=C2)S1	REAL300003892038	1	44	-2.0	-123.97	366.86	6.51	-117.46
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCN2CC2=CC=C(F)C=C2)S1	REAL300003892039	1	41	-2.0	-125.15	352.84	5.65	-119.50
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C(C(C)C)C=C3)CCCC2)S1	REAL300003892041	1	48	-2.0	-129.34	391.57	10.43	-118.91
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CSC(C3=CC=CS3)=N2)S1	REAL300003892056	1	38	-2.0	-121.09	367.45	7.07	-114.02
CC1=C(C(=O)[O-])N=C([N-]C(=O)COCC2=CC=CC(Cl)=C2)S1	REAL300003892057	1	33	-2.0	-120.96	326.46	6.74	-114.22
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2=CC(Br)=C(C)NC2=O)S1	REAL300003892058	1	29	-2.0	-133.90	294.90	3.84	-130.06
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(CC3=CC=CC=C3)CCOCC2)S1	REAL300003892063	1	43	-2.0	-119.84	347.70	8.62	-111.22
COC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1)C1=CN(C)N=C1	REAL300003892074	1	33	-2.0	-124.21	311.12	3.73	-120.48
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)S(=O)(=O)C2CC2)S1	REAL300003892076	1	35	-2.0	-140.02	321.76	2.81	-137.21
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(O)CCC2=CC=CC=C2)S1	REAL300003892084	1	36	-2.0	-116.55	328.49	5.34	-111.21
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C(Cl)C=C3)CCCCC2)S1	REAL300003892086	1	42	-2.0	-118.93	359.03	9.62	-109.31
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C(C(C)(C)C)C=C3)CCC2)S1	REAL300003892089	1	48	-2.0	-123.39	389.78	10.61	-112.78
CCC(NC1=NN=NN1C1=CC=CC=C1)C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003892092	1	42	-2.0	-111.96	371.10	7.04	-104.92
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(CC3=CC=CC(F)=C3)CCCCC2)S1	REAL300003892096	1	45	-2.0	-129.27	367.48	10.63	-118.64
CCOCCS(=O)(=O)NCC(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003892103	1	37	-2.0	-119.35	348.73	-0.67	-120.02
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2=C(C)C3=CC=CC=C3NC2=O)S1	REAL300003892115	1	35	-2.0	-135.50	314.62	5.41	-130.09
CC1=NOC(C)=C1C(C)(C)C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003892118	1	37	-2.0	-116.62	314.44	5.40	-111.22
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CN=C3)CC2)S1	REAL300003892120	1	32	-2.0	-119.05	292.54	6.27	-112.78
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2=C(C)NC(=O)C(Br)=C2)S1	REAL300003892122	1	29	-2.0	-108.99	294.13	3.54	-105.45
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)N(C)CC(F)(F)F)S1	REAL300003892123	1	33	-2.0	-119.25	298.75	3.06	-116.19
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(CO)C2=CC=CC=C2)S1	REAL300003892129	1	33	-2.0	-122.81	302.08	3.55	-119.26
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(O)C2=CC=C(Cl)C=C2)S1	REAL300003892131	1	30	-2.0	-113.57	299.91	4.42	-109.15
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=C(CC(C)C)C=C2)S1	REAL300003892134	1	44	-2.0	-120.05	373.37	9.12	-110.93
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=CC(C(=O)C3=CC=CC=C3)=C2)S1	REAL300003892139	1	44	-2.0	-124.01	388.83	9.66	-114.35
CC1=C(C(=O)[O-])N=C(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])S1	REAL300003892143	1	30	-2.0	-127.03	297.84	6.82	-120.21
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)NS(C)(=O)=O)S1	REAL300003892146	1	30	-2.0	-114.82	290.52	-0.94	-115.76
CC1=C(C(=O)[O-])N=C([N-]C(=O)[C@H](O)C2=CC=CC=C2Cl)S1	REAL300003892147	1	30	-2.0	-117.55	294.34	4.75	-112.80
CC1=C(C(=O)[O-])N=C([N-]C(=O)[C@@H](C)OCC2=CC=CC=C2)S1	REAL300003892149	1	36	-2.0	-123.74	329.94	6.93	-116.81
CC1=C(C(=O)[O-])N=C([N-]C(=O)CNC2=CC=CC(C(F)(F)F)=C2)S1	REAL300003892152	1	34	-2.0	-113.28	326.87	5.20	-108.08
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)N2CCOCC2)S1	REAL300003892159	1	38	-2.0	-119.48	312.02	1.92	-117.56
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(O)CC2=CC=CC=C2)S1	REAL300003892164	1	36	-2.0	-117.46	322.32	3.93	-113.53
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=CN=C2)S1	REAL300003892165	1	32	-2.0	-122.27	297.08	4.56	-117.71
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN(CC2=CC=CN=C2)C2=CC=CC=C2)S1	REAL300003892167	1	43	-2.0	-120.13	377.72	8.08	-112.05
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(O)C2=CC=C(Cl)C=C2F)S1	REAL300003892180	1	30	-2.0	-114.46	304.73	4.54	-109.92
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(O)C2=CC(Cl)=CC(Cl)=C2)S1	REAL300003892181	1	30	-2.0	-112.02	316.63	4.91	-107.11
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN(CC2=CC=CC=C2)C2=CC=CC=C2)S1	REAL300003892187	1	44	-2.0	-118.47	376.87	9.73	-108.74
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CC(C)CC3=CNN=C32)S1	REAL300003892190	1	36	-2.0	-126.13	314.10	4.50	-121.63
CC1=NOC(C2(C(=O)[N-]C3=NC(C(=O)[O-])=C(C)S3)CC2)=C1	REAL300003892191	1	32	-2.0	-115.28	300.15	6.12	-109.16
CCS(=O)(=O)NC(C)C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003892197	1	33	-2.0	-114.39	311.99	-0.04	-114.43
CCS(=O)(=O)NCC(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003892202	1	30	-2.0	-120.87	293.20	-0.71	-121.58
CC1=C(C(=O)[O-])N=C([N-]C(=O)[C@@H](C)C2=CC=C(CC(C)C)C=C2)S1	REAL300003892220	1	44	-2.0	-120.01	373.35	9.12	-110.89
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2CCN(C3=CC=CC=N3)CC2)S1	REAL300003892227	1	42	-2.0	-120.52	356.97	3.62	-116.90
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC=C3Br)CC2)S1	REAL300003892233	1	33	-2.0	-122.74	322.78	7.53	-115.21
CCC(O)(C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1)C1=CC=CC(Cl)=C1	REAL300003892241	1	36	-2.0	-115.93	332.40	4.42	-111.51
CC1=C(C(=O)[O-])N=C(NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)S1	REAL300003892250	0	33	-2.0	-107.33	322.75	2.43	-104.90
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C2=CN=CN2C)N(C)C)S1	REAL300003892253	1	37	-2.0	-117.40	307.77	4.06	-113.34
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCC3=NN(C)C=C32)S1	REAL300003892255	1	36	-2.0	-120.77	316.36	5.74	-115.03
CC1=C(C(=O)[O-])N=C([N-]C(=O)[C@H](C)OC2=CC=C(Br)C=C2)S1	REAL300003892257	1	33	-2.0	-118.98	323.10	6.96	-112.02
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2N=C(C(F)(F)F)C3=C2CCOC3)S1	REAL300003892259	1	37	-2.0	-121.49	348.17	4.10	-117.39
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C2=CC=CC=C2)N2CCC(O)CC2)S1	REAL300003892270	1	45	-2.0	-124.68	376.56	3.77	-120.91
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=C(S(C)(=O)=O)C=C2)S1	REAL300003892275	1	38	-2.0	-121.38	352.87	3.96	-117.42
CSC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1)C1=CC=CC=C1	REAL300003892279	1	33	-2.0	-118.98	313.80	7.06	-111.92
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2C=C(Cl)C=N2)S1	REAL300003892280	1	26	-2.0	-119.38	272.54	3.85	-115.53
COC1=CC=CC(C2(C(=O)[N-]C3=NC(C(=O)[O-])=C(C)S3)CC2)=C1	REAL300003892281	1	37	-2.0	-126.72	327.07	7.37	-119.35
CC1=C(C(=O)[O-])N=C([N-]C(=O)CNS(=O)(=O)N(C)C)S1	REAL300003892282	1	32	-2.0	-117.36	306.45	-1.18	-118.54
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2=CN=C(C3CC3)NC2=O)S1	REAL300003892284	1	32	-2.0	-132.28	303.66	4.16	-128.12
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C2=CC=C(Cl)C=C2)N(C)C)S1	REAL300003892285	1	37	-2.0	-116.33	341.75	5.61	-110.72
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=CC(CC(C)C)=C2)S1	REAL300003892291	1	44	-2.0	-119.72	373.33	9.11	-110.61
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2C3=CC=CC=C3N=C2C2CCCCC2)S1	REAL300003892307	1	48	-2.0	-125.23	405.99	9.67	-115.56
CCC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1)N1CCOC(CC)C1	REAL300003892310	1	44	-2.0	-121.83	355.13	3.60	-118.23
CCN(CC(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1)CC1=CC=CC=C1Cl	REAL300003892311	1	40	-2.0	-122.30	354.87	6.35	-115.95
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN(C)C2=NC3=CC=CC=C3S2)S1	REAL300003892322	1	36	-2.0	-126.86	342.46	6.96	-119.90
CC1=C(C(=O)[O-])N=C([N-]C(=O)[C@@H](O)CC2=CC=CC=C2)S1	REAL300003892325	1	33	-2.0	-116.65	306.92	4.55	-112.10
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(O)C2=CC=CC(C(F)(F)F)=C2)S1	REAL300003892326	1	33	-2.0	-114.04	321.91	4.90	-109.14
CC1=CC(C(F)(F)F)=NN1CC(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003892337	1	32	-2.0	-118.08	318.60	4.77	-113.31
CC1=C(C(=O)[O-])N=C(NC(=O)C2=NN(C3=CC=CC(C(C)C)=C3)C=C2[O-])S1	REAL300003892343	0	43	-2.0	-135.70	382.35	7.46	-128.24
CC1=C(C(=O)[O-])N=C(NC(=O)C2=NN(C3=CC=C(C(C)C)C=C3)C=C2[O-])S1	REAL300003892344	0	43	-2.0	-134.86	382.28	7.46	-127.40
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=CC(CO)=C2)S1	REAL300003892348	1	37	-2.0	-126.44	334.86	3.63	-122.81
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)C2=CN(C)C3=CC=CC=C23)S1	REAL300003892356	1	39	-2.0	-122.98	348.55	8.24	-114.74
CC1=NC2=CC=CC=C2N1CC(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003892359	1	35	-2.0	-121.82	323.22	6.75	-115.07
CC1=C(C(=O)[O-])N=C([N-]C(=O)[C@H](NS(=O)(=O)C2CC2)C(C)C)S1	REAL300003892363	1	40	-2.0	-126.61	353.07	2.97	-123.64
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C#N)CCSCC2)S1	REAL300003892371	1	31	-2.0	-109.93	290.90	5.00	-104.93
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C4OCOC4=C3)CC2)S1	REAL300003892373	1	36	-2.0	-124.64	323.58	6.74	-117.90
CC1=C(C(=O)[O-])N=C([N-]C(=O)[C@]23C[C@H]2COC32CCC2)S1	REAL300003892374	1	35	-2.0	-123.12	303.70	5.00	-118.12
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CN(CC3=CC=CC=C3)CCO2)S1	REAL300003892382	1	42	-2.0	-121.86	362.88	5.34	-116.52
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C(F)(F)F)CCC2)S1	REAL300003892385	1	29	-2.0	-115.34	276.74	5.42	-109.92
COCCS(=O)(=O)CC(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003892386	1	32	-2.0	-130.99	311.91	-0.15	-131.14
CCC1=CC=CC=C1OC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1)C1=CC=CC=C1	REAL300003892390	1	46	-2.0	-129.48	403.45	10.79	-118.69
COC1=CC=CC(C(O)C(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)=C1	REAL300003892397	1	34	-2.0	-118.64	312.85	3.17	-115.47
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(CC3=CC=C(F)C=C3)CC2)S1	REAL300003892398	1	36	-2.0	-120.36	323.68	9.41	-110.95
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(CO)CCOCC2)S1	REAL300003892399	1	34	-2.0	-121.93	291.84	0.78	-121.15
COCC1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)CCOCC1	REAL300003892403	1	37	-2.0	-121.06	314.09	3.18	-117.88
COC1=CC=C2CCC(C(=O)[N-]C3=NC(C(=O)[O-])=C(C)S3)C2=C1	REAL300003892417	1	37	-2.0	-122.36	327.14	6.25	-116.11
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CC(C)(C)OC3=CC=CC=C32)S1	REAL300003892425	1	40	-2.0	-121.57	338.56	7.70	-113.87
COC1=CC=CC(CC2(C(=O)[N-]C3=NC(C(=O)[O-])=C(C)S3)CCCCC2)=C1	REAL300003892426	1	49	-2.0	-131.16	390.57	9.86	-121.30
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(CC3=CC=CC(Cl)=C3)CCCCC2)S1	REAL300003892427	1	45	-2.0	-127.26	375.33	10.98	-116.28
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)C2=CC3=CC=CC=C3C=C2)S1	REAL300003892430	1	38	-2.0	-121.88	338.08	8.68	-113.20
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC=C3OCOC3=C2)S1	REAL300003892431	1	38	-2.0	-125.04	333.90	5.51	-119.53
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(O)C2=CC=C(Cl)C=C2)S1	REAL300003892432	1	33	-2.0	-113.79	315.97	3.86	-109.93
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CC3=CC(Br)=CC=C3O2)S1	REAL300003892434	1	31	-2.0	-120.11	312.35	6.72	-113.39
CC1=C(C(=O)[O-])N=C(NC(=O)C2=NN(C3=CC=C(F)C=C3C)C=C2[O-])S1	REAL300003892435	0	37	-2.0	-131.96	349.84	6.57	-125.39
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)N2CCSCC2)S1	REAL300003892437	1	35	-2.0	-117.03	306.88	3.64	-113.39
CC1=C(C(=O)[O-])N=C(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])S1	REAL300003892440	0	34	-2.0	-133.65	328.50	5.61	-128.04
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2N=NC3=C2CCCC3)S1	REAL300003892447	1	35	-2.0	-123.55	313.24	4.33	-119.22
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(S(N)(=O)=O)CC2)S1	REAL300003892448	1	28	-2.0	-119.31	279.65	-0.66	-119.97
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCCN2CC2=CC=NC=C2)S1	REAL300003892460	1	43	-2.0	-124.12	355.60	4.68	-119.44
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCCN2CC2=CC=CN=C2)S1	REAL300003892461	1	43	-2.0	-122.61	363.04	4.74	-117.87
CC1=NNC(C)=C1C(C)C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003892462	1	35	-2.0	-120.83	305.65	3.76	-117.07
CC1=C(C(=O)[O-])N=C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)S1	REAL300003892471	0	32	-2.0	-136.51	301.66	6.45	-130.06
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN(C)S(=O)(=O)N(C)C)S1	REAL300003892483	1	35	-2.0	-109.89	324.87	0.79	-109.10
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OCC2=CC=NC=C2)S1	REAL300003892500	1	35	-2.0	-122.62	324.82	5.16	-117.46
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C#N)CC23CCCC3)S1	REAL300003892513	1	34	-2.0	-116.67	310.34	6.29	-110.38
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C#N)CC3CCC2CC3)S1	REAL300003892514	1	37	-2.0	-116.56	310.48	6.25	-110.31
CC1=C(C(=O)[O-])N=C([N-]C(=O)CNC2=CC=CC(Cl)=C2)S1	REAL300003892520	1	31	-2.0	-113.17	304.87	4.72	-108.45
CC1=C(C(=O)[O-])N=C([N-]C(=O)CNS(=O)(=O)C2=CN(C)N=C2)S1	REAL300003892526	1	34	-2.0	-120.45	333.90	-0.69	-121.14
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)N2CCC3=CC=CC=C3C2)S1	REAL300003892529	1	41	-2.0	-121.34	338.96	5.47	-115.87
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)N2CCN(C3=CC=C(F)C=C3)CC2)S1	REAL300003892531	1	46	-2.0	-119.96	382.38	4.86	-115.10
CC1=CN=C(COCC(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)O1	REAL300003892538	1	32	-2.0	-126.81	307.14	1.76	-125.05
COC(CC1=CC=CC=C1)C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003892545	1	36	-2.0	-122.80	321.16	6.40	-116.40
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C2=CC=CC=C2F)N2CCOCC2)S1	REAL300003892546	1	42	-2.0	-122.92	362.53	4.80	-118.12
CCC(CC)C(C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1)N1CCOCC1	REAL300003892548	1	47	-2.0	-119.98	363.73	5.89	-114.09
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC=N3)CC2)S1	REAL300003892562	1	32	-2.0	-123.43	303.32	5.41	-118.02
CC1=C(C(=O)[O-])N=C([N-]C(=O)CS(=O)(=O)C2CC2)S1	REAL300003892563	1	29	-2.0	-134.02	287.45	1.65	-132.37
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(O)C(C)C2=CC=C(C)C=C2)S1	REAL300003892564	1	39	-2.0	-116.78	340.44	6.48	-110.30
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(O)C(C)C2=CC=CC=C2)S1	REAL300003892565	1	39	-2.0	-118.00	331.13	4.72	-113.28
CC1=C(C(=O)[O-])N=C([N-]C(=O)CNC2=CC=C(S(N)(=O)=O)C=C2F)S1	REAL300003892568	1	36	-2.0	-120.22	347.77	-0.75	-120.97
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCN3C=C(C(F)(F)F)N=C23)S1	REAL300003892582	1	36	-2.0	-128.80	337.47	6.55	-122.25
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CCN(C)C3=CC=CC=C32)S1	REAL300003892586	1	38	-2.0	-123.24	320.88	6.42	-116.82
CC1=C(C(=O)[O-])N=C([N-]C(=O)[C@@H](NCC(F)(F)F)C(C)C)S1	REAL300003892587	1	36	-2.0	-111.67	327.10	4.79	-106.88
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2=CN(C)C(=O)NC2=O)S1	REAL300003892589	1	29	-2.0	-120.48	281.06	1.84	-118.64
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2=CC(C(F)(F)F)=CNC2=O)S1	REAL300003892591	1	29	-2.0	-133.79	294.57	3.74	-130.05
CC1=C(C(=O)[O-])N=C([N-]C(=O)CC2=NN3C=CC=NC3=N2)S1	REAL300003892594	1	30	-2.0	-137.06	292.48	5.81	-131.25
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCN2CC2=CC=CC=N2)S1	REAL300003892596	1	40	-2.0	-125.16	349.98	4.52	-120.64
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(OC2=CC=C(Cl)C=C2)C(C)C)S1	REAL300003892614	1	39	-2.0	-120.17	348.96	8.86	-111.31
CC1=C(C(=O)[O-])N=C([N-]C(=O)CNC2=C(C)C=CC=C2C)S1	REAL300003892618	1	37	-2.0	-118.98	327.79	5.69	-113.29
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C2=CC=CC(F)=C2)N2CCOCC2)S1	REAL300003892622	1	42	-2.0	-117.30	365.76	4.59	-112.71
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CCSC3=CC=CC=C32)S1	REAL300003892625	1	34	-2.0	-120.84	312.31	7.31	-113.53
CC1=C(C(=O)[O-])N=C(NC(=O)C2=NN(C3=CC(C)=CC=C3F)C=C2[O-])S1	REAL300003892626	0	37	-2.0	-139.84	346.84	6.19	-133.65
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=NC(C(=O)[O-])=C(C)S2)=N1	REAL300003892627	0	40	-2.0	-137.48	356.36	7.33	-130.15
C=CCC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1)C1=CC=CC=C1	REAL300003892629	1	36	-2.0	-119.76	321.70	8.50	-111.26
CC1=C(C(=O)[O-])N=C([N-]C(=O)C23CC4CC(CC(F)(C4)C2)C3)S1	REAL300003892634	1	40	-2.0	-123.67	323.56	7.18	-116.49
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=C3OCOC3=C2)S1	REAL300003892637	1	35	-2.0	-117.86	318.22	5.10	-112.76
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC(F)=CC(F)=C2)S1	REAL300003892639	1	30	-2.0	-115.90	297.00	5.87	-110.03
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(O)CCCC(C)(C)C2)S1	REAL300003892645	1	39	-2.0	-120.25	318.61	3.86	-116.39
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(O)CN2C(=O)C=CC=C2C)S1	REAL300003892648	1	39	-2.0	-124.77	333.98	3.01	-121.76
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(O)CN2C=CC(C)=CC2=O)S1	REAL300003892649	1	39	-2.0	-125.98	344.59	2.99	-122.99
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCC3=NNC=C32)S1	REAL300003892654	1	33	-2.0	-118.08	292.23	4.37	-113.71
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(CCS(C)(=O)=O)C2=CC=CC=C2)S1	REAL300003892659	1	41	-2.0	-138.40	376.76	4.61	-133.79
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(O)C(O)(C2=CC=CC=C2)C(F)(F)F)S1	REAL300003892661	1	37	-2.0	-121.03	333.84	3.04	-117.99
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCN2C2=NC=CC=N2)S1	REAL300003892666	1	36	-2.0	-117.52	317.21	3.85	-113.67
COC1=CC=C([C@]2(C(=O)[N-]C3=NC(C(=O)[O-])=C(C)S3)C[C@H](O)C2)C=C1	REAL300003892673	1	41	-2.0	-119.95	353.53	4.11	-115.84
CC1=CN(C(C)(C)C(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)C=N1	REAL300003892674	1	35	-2.0	-118.30	313.44	6.16	-112.14
COC1=CC(COCC(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)=CC=N1	REAL300003892682	1	36	-2.0	-122.94	336.82	2.94	-120.00
COC1=CC=C(COCC(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)C=N1	REAL300003892683	1	36	-2.0	-122.23	336.77	2.92	-119.31
CC1=C(C(=O)[O-])N=C([N-]C(=O)COCC2=CC(=O)NC=C2)S1	REAL300003892684	1	33	-2.0	-144.19	312.29	3.24	-140.95
CC1=C(C(=O)[O-])N=C([N-]C(=O)[C@]2(C3=CC=CC=C3)C[C@H](O)C2)S1	REAL300003892688	1	37	-2.0	-127.57	321.18	5.93	-121.64
CC1=C(C(=O)[O-])N=C([N-]C(=O)[C@@H]2CC[C@H](C(F)(F)F)O2)S1	REAL300003892695	1	30	-2.0	-122.72	290.86	4.56	-118.16
CC1=C(C(=O)[O-])N=C([N-]C(=O)CS(=O)(=O)NC(C)(C)C)S1	REAL300003892704	1	36	-2.0	-128.63	319.67	0.54	-128.09
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)N2C=NC3=CC=CC=C32)S1	REAL300003892715	1	35	-2.0	-120.00	320.36	7.02	-112.98
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2=CC(=O)NC3=CC=C(F)C=C32)S1	REAL300003892723	1	32	-2.0	-122.97	305.52	5.36	-117.61
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(O)C2CCOCC2)S1	REAL300003892732	1	34	-2.0	-115.99	295.25	1.73	-114.26
C#CCC1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)CCCCC1	REAL300003892737	1	37	-2.0	-122.47	313.50	7.59	-114.88
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(O)CCC2=CC=CC=C2)S1	REAL300003892740	1	39	-2.0	-118.01	344.46	4.74	-113.27
CC1=C(C(=O)[O-])N=C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)S1	REAL300003892749	0	27	-2.0	-104.47	283.52	4.89	-99.58
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(O)CCSCC2)S1	REAL300003892751	1	31	-2.0	-114.32	284.48	2.33	-111.99
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CC3=C(O2)C(C)=CC=C3)S1	REAL300003892755	1	34	-2.0	-126.24	312.26	6.73	-119.51
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C)CCC3=CC=CC=C3C2)S1	REAL300003892757	1	39	-2.0	-122.02	331.14	7.90	-114.12
COC1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)CCOCC1	REAL300003892760	1	34	-2.0	-115.72	289.84	1.80	-113.92
COC1=C(C(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)NC(=O)NC1=O	REAL300003892762	1	30	-2.0	-109.27	291.73	0.65	-108.62
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=CC=N2)S1	REAL300003892771	1	32	-2.0	-125.64	301.51	4.08	-121.56
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(NC3=CC=CC=C3)CC2)S1	REAL300003892773	1	35	-2.0	-123.06	320.04	5.38	-117.68
CCCCS(=O)(=O)NCC(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003892775	1	36	-2.0	-120.40	336.20	0.87	-119.53
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OCC2=CC=C(F)C=C2)S1	REAL300003892779	1	36	-2.0	-121.25	336.12	7.05	-114.20
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(O)CC2=CC=CC(C(F)(F)F)=C2)S1	REAL300003892783	1	36	-2.0	-115.63	345.99	5.57	-110.06
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(CC3=CC=C(F)C=C3)CCOCC2)S1	REAL300003892786	1	43	-2.0	-114.54	357.69	8.63	-105.91
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(CC3=CC=CC(F)=C3)CCOCC2)S1	REAL300003892787	1	43	-2.0	-116.62	357.69	8.65	-107.97
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCN2C2=CC=CC=C2)S1	REAL300003892790	1	38	-2.0	-114.73	323.97	5.34	-109.39
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2C=CC(C(F)F)=N2)S1	REAL300003892796	1	29	-2.0	-127.09	290.06	4.18	-122.91
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)N2N=NN=C2C(C)(C)C)S1	REAL300003892797	1	39	-2.0	-124.61	337.95	4.22	-120.39
CC1=C(C(=O)[O-])N=C([N-]C(=O)CC2=NC(C3=CC=C(F)C=C3)=CS2)S1	REAL300003892799	1	35	-2.0	-119.89	344.75	6.70	-113.19
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2C=NC3=CC=CC=C32)S1	REAL300003892800	1	32	-2.0	-120.42	302.98	6.96	-113.46
CCC1=NC2=CC=CC=C2N1CC(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003892801	1	38	-2.0	-122.05	341.50	7.30	-114.75
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(NS(C)(=O)=O)C(C)C)S1	REAL300003892802	1	36	-2.0	-114.61	324.46	1.17	-113.44
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)N2CCC3=CC=CC=C32)S1	REAL300003892803	1	38	-2.0	-121.02	324.00	5.52	-115.50
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC=CC=N2)S1	REAL300003892807	1	34	-2.0	-119.94	304.94	5.42	-114.52
CC1=C(C(=O)[O-])N=C([N-]C(=O)CSCC2=CC=C(C(C)(C)C)C=C2)S1	REAL300003892809	1	45	-2.0	-120.00	395.88	9.58	-110.42
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=CC=C2O)S1	REAL300003892819	1	31	-2.0	-125.46	294.93	3.42	-122.04
CC1=C(C(=O)[O-])N=C([N-]C(=O)CNS(=O)(=O)C2=CC=C(C)C=C2)S1	REAL300003892821	1	37	-2.0	-119.30	350.75	2.29	-117.01
CCN(CC(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1)C1=CC=CC=C1	REAL300003892828	1	37	-2.0	-119.88	322.69	6.98	-112.90
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2CCOCC2)S1	REAL300003892840	1	34	-2.0	-121.80	302.91	3.45	-118.35
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OCCC2=CC=CC=C2)S1	REAL300003892843	1	39	-2.0	-122.46	351.44	7.70	-114.76
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(S(C)(=O)=O)CC2)S1	REAL300003892848	1	29	-2.0	-121.55	286.09	1.91	-119.64
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C2=CC=CN=C2)C(C)C)S1	REAL300003892850	1	37	-2.0	-121.52	321.69	6.71	-114.81
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2C=NC(C3=CC=CC=C3)=N2)S1	REAL300003892853	1	35	-2.0	-129.59	331.35	7.65	-121.94
CC(=O)C1=CN(CC(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)N=N1	REAL300003892859	1	30	-2.0	-120.82	295.26	2.44	-118.38
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2C=C(C(C)O)N=N2)S1	REAL300003892864	1	32	-2.0	-125.10	302.64	0.05	-125.05
CC1=C(C(=O)[O-])N=C([N-]C(=O)CC2=NC(C(C)C)=C(C)S2)S1	REAL300003892866	1	37	-2.0	-121.90	342.63	5.64	-116.26
CC1=C(C(=O)[O-])N=C([N-]C(=O)CC2=NC(C3=CC=CC=C3)=CS2)S1	REAL300003892870	1	35	-2.0	-123.25	338.36	6.63	-116.62
CC1=C(C(=O)[O-])N=C([N-]C(=O)CC2=NN=C(C3=CC=CC=C3)N2C)S1	REAL300003892873	1	38	-2.0	-128.56	345.18	7.24	-121.32
CC1=C(C(=O)[O-])N=C([N-]C(=O)CC2=NC(C3=CC=CO3)=C(C)S2)S1	REAL300003892875	1	35	-2.0	-124.24	342.47	5.49	-118.75
CCCOC1=CC=NC(CC(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)=N1	REAL300003892876	1	37	-2.0	-122.98	340.91	3.13	-119.85
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=NC=CS2)S1	REAL300003892878	1	31	-2.0	-123.54	297.54	4.21	-119.33
CC1=C(C(=O)[O-])N=C(NC(=O)C2=CC=C([O-])C(Cl)=C2)S1	REAL300003892891	0	27	-2.0	-106.32	277.31	4.82	-101.50
CCOC1=CC(C(=O)NC2=NC(C(=O)[O-])=C(C)S2)=CC(Cl)=C1[O-]	REAL300003892894	1	34	-2.0	-107.20	328.36	5.86	-101.34
COC1=CC=C(Cl)C=C1NCC(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003892898	1	35	-2.0	-116.92	333.26	4.12	-112.80
CC1=C(C(=O)[O-])N=C([N-]C(=O)CNS(=O)(=O)C2=CN=C3NC=CC=C23)S1	REAL300003892902	1	37	-2.0	-132.96	357.55	0.81	-132.15
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=NC(C(=O)[O-])=C(C)S3)=N2)C=C1	REAL300003892906	0	38	-2.0	-134.67	351.57	4.84	-129.83
CC1=C(C(=O)[O-])N=C([N-]C(=O)CNC(C2=CC=CC=C2)C(F)(F)F)S1	REAL300003892917	1	37	-2.0	-117.66	344.15	5.22	-112.44
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=C(Cl)C(F)=C2)S1	REAL300003892926	1	30	-2.0	-115.55	306.76	6.31	-109.24
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=NC(C(=O)[O-])=C(C)S2)=CO1	REAL300003892929	1	31	-2.0	-114.93	313.29	0.07	-114.86
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CSCCS2)S1	REAL300003892943	1	28	-2.0	-118.61	279.07	4.94	-113.67
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C2=CC=CC=C2)N2CCSCC2)S1	REAL300003892951	1	42	-2.0	-121.99	358.31	6.94	-115.05
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C(C)C)N2CC(C)OC(C)C2)S1	REAL300003892952	1	47	-2.0	-123.48	371.88	4.40	-119.08
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CCC(=O)C3=CC=CC=C32)S1	REAL300003892957	1	35	-2.0	-118.82	316.00	6.71	-112.11
COC(=CC1=CC=CC=C1)C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003892959	1	34	-2.0	-121.48	312.38	6.59	-114.89
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3CCCCC3)CCCCC2)S1	REAL300003892977	1	48	-2.0	-119.60	354.83	10.57	-109.03
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2C(C)=CC(C)=NC2=O)S1	REAL300003892979	1	34	-2.0	-134.06	313.90	3.44	-130.62
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=C(C(F)(F)F)C=C2)S1	REAL300003892980	1	35	-2.0	-114.96	330.90	7.44	-107.52
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CSC(C3=CC=CC=C3O)=N2)S1	REAL300003892985	1	35	-2.0	-128.42	335.70	2.81	-125.61
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=NSN=C2N2CCOCC2)S1	REAL300003892993	1	38	-2.0	-113.94	352.04	0.74	-113.20
CC1=C(C(=O)[O-])N=C([N-]C(=O)CNC2=CC=C(S(C)(=O)=O)C=C2)S1	REAL300003892994	1	37	-2.0	-119.80	348.80	1.73	-118.07
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=C(C(F)(F)F)C=C2)S1	REAL300003892996	1	36	-2.0	-118.13	340.77	7.30	-110.83
CC1=C(C(=O)[O-])N=C([N-]C(=O)[C@H](C)OC2=CC=C(Cl)C=C2)S1	REAL300003893004	1	33	-2.0	-119.11	318.54	6.86	-112.25
CC1=NN(CC(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)C=C1C1=CC=CC=C1	REAL300003893007	1	39	-2.0	-125.98	354.83	7.46	-118.52
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(OC2=CC=CC=C2)C(C)(C)O)S1	REAL300003893008	1	40	-2.0	-120.88	340.81	5.21	-115.67
CC1=C(C(=O)[O-])N=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)S1	REAL300003893017	0	35	-2.0	-118.26	325.73	8.83	-109.43
CC1=C(C(=O)[O-])N=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)S1	REAL300003893017	1	35	-2.0	-118.17	325.78	8.81	-109.36
CC1=C(C(=O)[O-])N=C([N-]C(=O)[C@H](CC(C)C)NCC(F)(F)F)S1	REAL300003893018	1	39	-2.0	-117.83	346.30	5.04	-112.79
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(N3CCOCC3)CC2)S1	REAL300003893023	1	36	-2.0	-120.51	308.84	2.92	-117.59
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(OC3=CC=C(Cl)C=C3)CC2)S1	REAL300003893026	1	34	-2.0	-117.83	330.81	6.57	-111.26
CC1=C(C(=O)[O-])N=C([N-]C(=O)COCC2=NC3=CC=CC=C3S2)S1	REAL300003893035	1	35	-2.0	-128.33	341.40	5.65	-122.68
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(O)C(O)C2=NC3=CC=CC=C3S2)S1	REAL300003893043	1	36	-2.0	-121.06	347.68	1.18	-119.88
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN(C)C2=CC=CC=C2)S1	REAL300003893048	1	34	-2.0	-120.14	305.80	6.12	-114.02
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(CC(C)C)N2C=CN=C2)S1	REAL300003893062	1	38	-2.0	-117.22	333.31	7.31	-109.91
CC1=C(C(=O)[O-])N=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)S1	REAL300003893085	0	30	-2.0	-96.03	297.12	2.97	-93.06
CC1=C(C(=O)[O-])N=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300003893085	1	30	-2.0	-96.07	297.05	2.97	-93.10
COC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1)C1=CC=CC=C1C(F)(F)F	REAL300003893108	1	36	-2.0	-123.47	333.92	7.75	-115.72
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=CC=C2C)S1	REAL300003893123	1	35	-2.0	-120.30	309.29	6.95	-113.35
CCC1=NOC(COCC(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)=N1	REAL300003893131	1	34	-2.0	-124.36	322.79	2.43	-121.93
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2N=C(C(F)(F)F)C3=C2CCCC3)S1	REAL300003893138	1	39	-2.0	-120.94	356.54	6.46	-114.48
CC1=C(C(=O)[O-])N=C([N-]C(=O)C23CCOC2CCCC3)S1	REAL300003893142	1	37	-2.0	-124.31	302.10	5.12	-119.19
CC1=C(C(=O)[O-])N=C([N-]C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)S1	REAL300003893143	1	43	-2.0	-126.27	360.77	2.66	-123.61
CC1=NN(CC(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)C2=NC=CC=C12	REAL300003893147	1	34	-2.0	-132.45	320.80	5.27	-127.18
CCCOC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1)C1=CC=C(F)C=C1C	REAL300003893148	1	42	-2.0	-119.43	370.27	8.91	-110.52
CC1=C(C(=O)[O-])N=C([N-]C(=O)[C@]23CCO[C@@H]2CCCCC3)S1	REAL300003893160	1	40	-2.0	-120.44	310.75	5.44	-115.00
CC1=C(C(=O)[O-])N=C([N-]C(=O)C23CCC(C)(CC2)OC3)S1	REAL300003893161	1	37	-2.0	-120.00	311.09	4.68	-115.32
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCC3=CNN=C32)S1	REAL300003893163	1	33	-2.0	-128.40	295.76	4.15	-124.25
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)C2=CC(F)=CC(F)=C2)S1	REAL300003893170	1	32	-2.0	-114.63	304.99	6.57	-108.06
CC1=C(C(=O)[O-])N=C([N-]C(=O)COCC2=CC=C(C(F)(F)F)C=C2)S1	REAL300003893172	1	36	-2.0	-119.35	348.46	7.23	-112.12
COC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1)C1=CC(F)=CC(F)=C1	REAL300003893175	1	33	-2.0	-116.65	320.41	6.11	-110.54
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CS3)CC2)S1	REAL300003893187	1	30	-2.0	-119.98	291.08	7.09	-112.89
CCC(C)(COCC1=CC=CC=C1)C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003893188	1	45	-2.0	-118.60	384.97	7.85	-110.75
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(CCC2=CC=CC=C2)C2=CC=CC=C2)S1	REAL300003893189	1	45	-2.0	-123.90	394.50	10.87	-113.03
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3CCOCC3)CC2)S1	REAL300003893190	1	37	-2.0	-124.86	313.42	5.22	-119.64
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(O)CC2=CC(Cl)=CC(Cl)=C2)S1	REAL300003893196	1	33	-2.0	-112.32	340.39	5.56	-106.76
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(O)C2=CC=CC3=C2OCC3)S1	REAL300003893197	1	35	-2.0	-123.78	318.68	3.79	-119.99
CC(=O)N1CSC[C@@H]1C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003893218	1	31	-2.0	-126.98	294.17	4.54	-122.44
COCC1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)CCCCO1	REAL300003893219	1	37	-2.0	-123.24	315.43	3.35	-119.89
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(O)C2CCCCCCC2)S1	REAL300003893224	1	42	-2.0	-119.18	328.79	4.90	-114.28
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2N=NN=C2C2=CC=CC=C2)S1	REAL300003893237	1	34	-2.0	-121.77	318.89	4.77	-117.00
CC1=NC=C([N+](=O)[O-])N1CC(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003893256	1	31	-2.0	-118.67	302.75	6.18	-112.49
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(F)(F)C2=CC=CC(Br)=C2)S1	REAL300003893258	0	29	-2.0	-113.76	306.76	6.63	-107.13
COC1=CC(=O)NC=C1C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003893260	1	30	-2.0	-116.47	285.59	2.19	-114.28
CCCCS(=O)(=O)CC(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003893262	1	34	-2.0	-135.03	321.23	2.36	-132.67
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2CCCCCC2)S1	REAL300003893263	1	39	-2.0	-121.46	324.08	6.32	-115.14
COC1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)CCCCCC1	REAL300003893264	1	39	-2.0	-120.63	313.20	5.25	-115.38
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)C(F)C2=CC=CC=C2)S1	REAL300003893272	1	38	-2.0	-123.82	331.15	7.56	-116.26
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(O)CC(C3=CC=CC=C3)C2)S1	REAL300003893281	1	37	-2.0	-120.70	330.11	4.63	-116.07
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2N=CC=C2C2=CC=CC=C2)S1	REAL300003893290	1	36	-2.0	-127.34	328.00	6.34	-121.00
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2N=CC3=CC(C)=CN=C32)S1	REAL300003893293	1	34	-2.0	-130.27	320.26	5.32	-124.95
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2(C)CCOCC2)S1	REAL300003893306	1	37	-2.0	-122.29	315.01	3.87	-118.42
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CS3)CC3(CCC3)C2)S1	REAL300003893309	1	40	-2.0	-123.05	352.85	9.03	-114.02
CC1=C(CC(F)(F)C(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)C2=CC=CC=C2N1	REAL300003893311	0	39	-2.0	-119.90	359.39	7.42	-112.48
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CN(C)N=C3)CCCO2)S1	REAL300003893316	1	37	-2.0	-123.45	330.49	3.80	-119.65
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2CCCC3(CC3)S2(=O)=O)S1	REAL300003893333	1	38	-2.0	-138.81	343.85	3.02	-135.79
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(CCC2=CC=CC=C2C)C2=CC=CC=C2)S1	REAL300003893339	1	48	-2.0	-124.24	409.87	11.34	-112.90
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3CCCO3)CCCO2)S1	REAL300003893340	1	38	-2.0	-123.27	317.96	5.07	-118.20
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC=C3)CCCCO2)S1	REAL300003893349	1	40	-2.0	-122.42	337.54	6.87	-115.55
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2C=CC3=CC(Br)=CC=C32)S1	REAL300003893358	1	33	-2.0	-116.66	329.79	7.98	-108.68
CC1=CC(COCC(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)=NO1	REAL300003893360	1	32	-2.0	-119.93	305.92	4.39	-115.54
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2CCC(CO)CC2)S1	REAL300003893371	1	38	-2.0	-122.56	323.47	0.65	-121.91
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C2=CC=CC=C2)C2=CC=CC=C2C)S1	REAL300003893373	1	42	-2.0	-126.22	363.09	9.68	-116.54
CC1=C(C(=O)[O-])N=C([N-]C(=O)C23CCC(CC2)C3(C)C)S1	REAL300003893379	1	39	-2.0	-124.28	311.23	6.48	-117.80
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C(C)(F)F)CCOCC2)S1	REAL300003893381	1	36	-2.0	-114.14	305.53	5.08	-109.06
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3CCCO3)CCC2)S1	REAL300003893382	1	37	-2.0	-126.07	311.64	6.18	-119.89
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3CCCCO3)CCCO2)S1	REAL300003893383	1	41	-2.0	-120.92	338.77	4.97	-115.95
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C2=CC(C)=CC=C2)C2CCCCC2)S1	REAL300003893384	1	48	-2.0	-122.10	389.72	11.11	-110.99
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(O)C2=CC=CC(Cl)=C2)S1	REAL300003893390	1	30	-2.0	-114.39	300.09	4.39	-110.00
CCC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1)C1=CC=CC(Cl)=C1	REAL300003893391	1	35	-2.0	-114.65	325.18	8.53	-106.12
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CC3=CC(C)=CC=C3S2)S1	REAL300003893392	1	34	-2.0	-121.63	320.90	7.44	-114.19
COCC1=NC=C(C(=O)NC2=NC(C(=O)[O-])=C(C)S2)C(=O)[N-]1	REAL300003893405	1	32	-2.0	-104.39	303.04	1.55	-102.84
COCC1=NC=C(C(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)C(=O)N1	REAL300003893405	1	32	-2.0	-134.09	305.81	1.77	-132.32
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C2=CC(C)=CC=C2C)C(C)C)S1	REAL300003893409	1	44	-2.0	-121.82	365.23	9.75	-112.07
CC1=C(C(=O)[O-])N=C([N-]C(=O)COCCC2=CC=C(Cl)S2)S1	REAL300003893414	1	33	-2.0	-118.09	338.49	6.71	-111.38
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2N=C(C(F)(F)F)C3=C2CCC3)S1	REAL300003893415	1	36	-2.0	-121.09	343.67	6.08	-115.01
CCC(F)(F)C(C)(C)C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003893417	1	34	-2.0	-126.89	298.61	5.46	-121.43
CC1=C(C(=O)[O-])N=C([N-]C(=O)COCCC2=CC=CS2)S1	REAL300003893418	1	33	-2.0	-120.15	321.45	6.10	-114.05
COC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1)C1CCCOC1	REAL300003893421	1	37	-2.0	-122.48	319.55	3.85	-118.63
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCNS2(=O)=O)S1	REAL300003893428	1	31	-2.0	-128.64	293.16	-0.69	-129.33
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C2=CC=CC=C2C)C2CCCC2)S1	REAL300003893435	1	45	-2.0	-122.70	368.72	10.33	-112.37
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=CC(C(F)(F)F)=C2)S1	REAL300003893439	1	35	-2.0	-114.11	331.25	7.45	-106.66
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2=CN=C(C3CCC3)NC2=O)S1	REAL300003893449	1	35	-2.0	-131.66	319.71	4.65	-127.01
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=C(F)C=C2)S1	REAL300003893453	1	32	-2.0	-115.63	298.57	6.50	-109.13
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCC3=NC=NN32)S1	REAL300003893454	1	32	-2.0	-122.50	290.35	5.55	-116.95
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)OCC(F)(F)F)S1	REAL300003893456	1	32	-2.0	-122.82	303.11	4.80	-118.02
COCC1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)CCCO1	REAL300003893461	1	34	-2.0	-124.90	302.89	2.61	-122.29
CC1=C(C(=O)[O-])N=C([N-]C(=O)C23CCC(CC2)C3(C)C)S1	REAL300003893463	1	39	-2.0	-124.28	311.23	6.48	-117.80
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(O)C2=CC=C(C3CC3)C=C2)S1	REAL300003893464	1	37	-2.0	-118.17	332.59	5.99	-112.18
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C2=CC=CC=C2C)C2CCCCC2)S1	REAL300003893466	1	48	-2.0	-125.34	387.66	10.03	-115.31
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(CC3=CC=CC=C3)CCC3=CC=CC=C32)S1	REAL300003893467	1	46	-2.0	-125.63	391.77	10.88	-114.75
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=NN(C)C=C2)S1	REAL300003893469	1	35	-2.0	-122.96	314.87	4.76	-118.20
CC1=C(C(=O)[O-])N=C([N-]C(=O)[C@@H]2CSC(C3=CC=CC=C3)=N2)S1	REAL300003893470	1	34	-2.0	-124.94	328.04	5.17	-119.77
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2C=CC3=CC=C(Br)C=C32)S1	REAL300003893479	1	33	-2.0	-118.67	329.68	7.97	-110.70
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C)CC3=CC=CC=C3C2)S1	REAL300003893493	1	36	-2.0	-122.05	318.09	7.57	-114.48
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=C(F)C(Cl)=C2)S1	REAL300003893494	1	32	-2.0	-116.47	314.76	7.00	-109.47
CCC(=O)N1CSC[C@H]1C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003893502	1	34	-2.0	-131.77	314.18	5.15	-126.62
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCCN2CC2=CC=CC(F)=C2)S1	REAL300003893507	1	44	-2.0	-121.88	374.90	6.65	-115.23
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(O)C2=CC=C(F)C=C2C)S1	REAL300003893510	1	33	-2.0	-113.42	302.83	5.07	-108.35
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C#N)CC23CCOCC3)S1	REAL300003893511	1	35	-2.0	-114.50	313.73	4.58	-109.92
COC1=CC=C(C(C(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)C2CCCCC2)C=C1	REAL300003893513	1	49	-2.0	-120.68	397.80	9.74	-110.94
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C(F)(F)F)CC3(CCC3)C2)S1	REAL300003893515	1	36	-2.0	-118.03	323.39	7.23	-110.80
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(F)(F)C2=CC=CN=C2)S1	REAL300003893516	0	28	-2.0	-114.60	280.44	4.23	-110.37
CCC(O)(C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1)C1=CC=CC=C1	REAL300003893518	1	36	-2.0	-118.06	315.53	4.46	-113.60
CC(=O)N1CSC[C@H]1C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003893529	1	31	-2.0	-127.07	294.01	4.34	-122.73
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2=NN(C3=CC=C(F)C=C3)C(=O)CC2)S1	REAL300003893537	1	37	-2.0	-111.91	347.19	5.90	-106.01
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2=NN(C3=CC=C(C)C=C3)C(=O)CC2)S1	REAL300003893538	1	40	-2.0	-116.16	362.21	6.52	-109.64
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2=C3CCCC3=NNC2=O)S1	REAL300003893543	1	32	-2.0	-128.91	293.63	3.14	-125.77
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(CC2CCCCC2)C2=CC=CC=C2)S1	REAL300003893546	1	48	-2.0	-123.20	393.13	10.24	-112.96
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)[C@@H]2CCC[C@H](C(F)(F)F)N2)S1	REAL300003893550	1	43	-2.0	-122.06	359.84	5.33	-116.73
CC1=C(C(=O)[O-])N=C([N-]C(=O)C23OC4C5COCC4C2C53)S1	REAL300003893552	1	34	-2.0	-127.75	298.76	2.96	-124.79
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3CCCO3)CCOCC2)S1	REAL300003893553	1	41	-2.0	-119.80	328.10	6.44	-113.36
CC1=C(C(=O)[O-])N=C([N-]C(=O)C23CC(C)(C2)OC3(C)C)S1	REAL300003893559	1	37	-2.0	-116.69	313.17	4.45	-112.24
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CN=CN=C2)S1	REAL300003893560	1	33	-2.0	-117.55	297.97	4.79	-112.76
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3CCCO3)CCCC2)S1	REAL300003893561	1	40	-2.0	-118.02	325.17	6.17	-111.85
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2N=NC(C(C)(C)C)=N2)S1	REAL300003893573	1	36	-2.0	-121.07	329.31	3.52	-117.55
COC1=CC=C(C(C)C(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)C=C1F	REAL300003893597	1	36	-2.0	-115.65	327.89	5.80	-109.85
COC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1)C1CC(F)(F)C1	REAL300003893598	1	33	-2.0	-117.42	309.38	5.28	-112.14
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2CCCOC2)S1	REAL300003893599	1	34	-2.0	-119.76	302.78	3.46	-116.30
CC1=C(C(=O)[O-])N=C([N-]C(=O)COCC2=NC(C3CC3)=NO2)S1	REAL300003893601	1	35	-2.0	-125.06	332.69	3.34	-121.72
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(O)C2=CC=C(C(F)(F)F)C=C2)S1	REAL300003893607	1	33	-2.0	-112.90	322.12	4.88	-108.02
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(O)C2=CC=CC=C2C(F)(F)F)S1	REAL300003893608	1	33	-2.0	-118.57	309.86	5.64	-112.93
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(O)C2=CC=C(Cl)C(Cl)=C2)S1	REAL300003893609	1	30	-2.0	-113.05	315.11	4.87	-108.18
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(O)C2CCCCCC2)S1	REAL300003893612	1	39	-2.0	-117.98	316.37	4.55	-113.43
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(O)C2=CC(F)=CC(F)=C2)S1	REAL300003893614	1	30	-2.0	-111.82	295.99	4.04	-107.78
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC(Cl)=CC=C3F)CCC2)S1	REAL300003893623	1	36	-2.0	-122.62	331.39	8.45	-114.17
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC(F)=CC=C3F)CCC2)S1	REAL300003893624	1	36	-2.0	-124.41	321.07	8.01	-116.40
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2N=NN=C2C2CC2)S1	REAL300003893625	1	31	-2.0	-119.09	297.02	3.78	-115.31
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(=O)C2=CC=C(C)C=C2)S1	REAL300003893632	0	31	-2.0	-118.48	293.22	5.72	-112.76
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(=O)C2=CC=C(Cl)C=C2)S1	REAL300003893633	0	28	-2.0	-112.49	288.54	5.56	-106.93
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(F)CC2CCCC2)S1	REAL300003893645	1	35	-2.0	-117.03	305.19	6.24	-110.79
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(CC3=CC=C(F)C=C3)CCCC2)S1	REAL300003893647	1	42	-2.0	-123.63	353.62	10.11	-113.52
CC1=C(C(=O)[O-])N=C([N-]C(=O)C23CCCC2CC(=O)CC3)S1	REAL300003893648	1	38	-2.0	-116.22	309.37	6.96	-109.26
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(CC3=CC=C(F)C=C3)CCCCO2)S1	REAL300003893649	1	43	-2.0	-120.92	364.83	8.13	-112.79
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C(F)(F)F)CCCCO2)S1	REAL300003893652	1	33	-2.0	-114.85	300.07	4.26	-110.59
CC1=C(C(=O)[O-])N=C([N-]C(=O)CSC2=CC=CC=C2Br)S1	REAL300003893659	1	30	-2.0	-120.22	312.97	6.91	-113.31
CC1=C(C(=O)[O-])N=C([N-]C(=O)[C@H]2CCC3=CC=CC=C32)S1	REAL300003893660	1	33	-2.0	-122.40	296.13	7.37	-115.03
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2C=C(C3CCOC3)C=N2)S1	REAL300003893662	1	37	-2.0	-122.60	332.45	4.02	-118.58
CC1=C(C(=O)[O-])N=C([N-]C(=O)[C@@H]2OCCC[C@@H]2C2=CC=CC=C2)S1	REAL300003893681	1	40	-2.0	-119.85	333.00	8.36	-111.49
CC1=C(C(=O)[O-])N=C([N-]C(=O)[C@@H]2OCCC[C@H]2C2=CC=CC=C2)S1	REAL300003893682	1	40	-2.0	-125.29	344.23	8.16	-117.13
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C)CCCNS2(=O)=O)S1	REAL300003893683	1	34	-2.0	-128.66	306.46	-0.13	-128.79
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)C2=CC(C)=CC(F)=C2)S1	REAL300003893691	1	35	-2.0	-121.16	320.01	7.17	-113.99
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCC3=CC=NN32)S1	REAL300003893694	1	33	-2.0	-125.08	295.62	4.85	-120.23
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2=CC=CC=C2C(F)F)S1	REAL300003893698	1	33	-2.0	-125.25	314.14	6.72	-118.53
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=C(F)C=CC=C3Cl)CCC2)S1	REAL300003893709	1	36	-2.0	-124.88	332.81	8.29	-116.59
CC1=C(C(=O)[O-])N=C([N-]C(=O)C23CC(C)(C2)OC32CCC2)S1	REAL300003893711	1	38	-2.0	-118.28	324.20	5.30	-112.98
CC1=C(C(=O)[O-])N=C([N-]C(=O)C23CC(C)(C2)OC32CCOCC2)S1	REAL300003893712	1	42	-2.0	-121.84	345.41	3.98	-117.86
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3CCOCC3)CCOCC2)S1	REAL300003893717	1	44	-2.0	-118.87	338.02	5.73	-113.14
CC1=C(C(=O)[O-])N=C([N-]C(=O)CSC2=CC=CC(F)=C2)S1	REAL300003893720	1	30	-2.0	-116.95	300.19	6.42	-110.53
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2=CC(C3CC3)=NNC2=O)S1	REAL300003893727	1	32	-2.0	-124.56	303.00	3.56	-121.00
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3CCCCO3)CC2)S1	REAL300003893728	1	37	-2.0	-126.97	316.06	5.35	-121.62
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(CC3=CC=C(F)C=C3)CCCO2)S1	REAL300003893729	1	40	-2.0	-121.71	353.05	7.26	-114.45
CC1=C(C(=O)[O-])N=C([N-]C(=O)[C@@H]2CCC3=CC=CC=C32)S1	REAL300003893742	1	33	-2.0	-120.55	298.73	7.00	-113.55
CC1=C(C(=O)[O-])N=C([N-]C(=O)CSC2=CC=CC(Cl)=C2)S1	REAL300003893746	1	30	-2.0	-116.75	310.51	6.87	-109.88
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2N=NC(C3CC3)=N2)S1	REAL300003893748	1	31	-2.0	-120.63	299.00	3.44	-117.19
CC1=C(C(=O)[O-])N=C(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])S1	REAL300003893752	0	27	-2.0	-121.73	291.92	6.85	-114.88
CC1=C(C(=O)[O-])N=C([N-]C(=O)[C@@H](C)C2=CC=C3OCOC3=C2)S1	REAL300003893756	1	35	-2.0	-117.83	318.22	5.10	-112.73
CC1=C(C(=O)[O-])N=C([N-]C(=O)COC2CCN(S(C)(=O)=O)CC2)S1	REAL300003893757	1	41	-2.0	-123.67	366.56	2.29	-121.38
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(CC3=CC=C(F)C(C)=C3)CC2)S1	REAL300003893771	1	39	-2.0	-121.23	344.16	10.04	-111.19
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(CC3=CC=C(F)C=C3C)CC2)S1	REAL300003893772	1	39	-2.0	-120.92	342.43	9.93	-110.99
CC1=C(C(=O)[O-])N=C([N-]C(=O)C23CC4(C)CC(C)(CC(O)(C4)C2)C3)S1	REAL300003893774	1	47	-2.0	-124.98	368.51	4.77	-120.21
CSC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1)C1=CC=CC(Cl)=C1	REAL300003893784	1	33	-2.0	-117.44	331.78	7.39	-110.05
CC1=C(C(=O)[O-])N=C([N-]C(=O)C23CCOC2CCOC3)S1	REAL300003893804	1	35	-2.0	-125.79	295.93	3.66	-122.13
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(CC(F)(F)F)C2=CC=CC=C2)S1	REAL300003893810	1	35	-2.0	-113.71	327.73	7.35	-106.36
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C)CCCN(C(C)(C)C)S2(=O)=O)S1	REAL300003893829	1	46	-2.0	-138.69	374.81	4.12	-134.57
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCC3=C2N=CS3)S1	REAL300003893832	1	32	-2.0	-126.05	299.23	5.17	-120.88
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(F)(F)CCN2C=CN=N2)S1	REAL300003893845	0	31	-2.0	-119.95	303.80	3.59	-116.36
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(F)(F)C2=CC=C(F)C=C2C)S1	REAL300003893846	0	32	-2.0	-112.29	305.79	6.48	-105.81
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(F)(F)CCN2C=CC=N2)S1	REAL300003893847	0	32	-2.0	-118.20	310.01	4.82	-113.38
CC1=NN=NN1C(C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1)C1=CC=CC=C1	REAL300003893850	1	37	-2.0	-125.10	340.33	5.69	-119.41
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCN2C2=CN=CC=N2)S1	REAL300003893851	1	36	-2.0	-116.45	316.49	2.65	-113.80
COCC(OC1=CC=C(Cl)C=C1C)C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003893864	1	40	-2.0	-124.24	371.87	6.79	-117.45
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(=O)C2=CC(Cl)=CC(Cl)=C2)S1	REAL300003893866	0	28	-2.0	-110.59	305.28	6.07	-104.52
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC=C(F)C(F)=C2)S1	REAL300003893871	1	35	-2.0	-112.99	320.57	6.97	-106.02
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)OC2=CC=C(Cl)C=C2C)S1	REAL300003893872	1	39	-2.0	-118.11	349.78	7.80	-110.31
COCC1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)CC=CCC1	REAL300003893876	1	37	-2.0	-123.58	319.43	4.89	-118.69
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C(F)(F)F)CC3CCC2CC3)S1	REAL300003893878	1	39	-2.0	-118.36	320.66	7.30	-111.06
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC=C3)CCOC2)S1	REAL300003893880	1	37	-2.0	-120.67	321.83	6.13	-114.54
CCC1(C(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)CCCC2=CC=CC=C21	REAL300003893882	1	42	-2.0	-122.38	342.90	8.64	-113.74
CCC(C)C1=CC=C(C(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)C(=O)N1	REAL300003893885	1	38	-2.0	-136.37	334.65	5.39	-130.98
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=C(C(C)(C)C)C=C2C)S1	REAL300003893886	1	48	-2.0	-123.43	398.28	9.33	-114.10
CC1=C(C(=O)[O-])N=C([N-]C(=O)[C@H](C)OC2=CC=C(Cl)C=C2C)S1	REAL300003893887	1	36	-2.0	-119.51	338.60	7.56	-111.95
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=C(C)C=C2C)S1	REAL300003893889	1	39	-2.0	-123.93	343.52	7.68	-116.25
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(CC(C)C)C2=CC=CC=C2)S1	REAL300003893892	1	41	-2.0	-119.82	347.13	9.29	-110.53
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(OCC(C)C)C(C)C)S1	REAL300003893900	1	41	-2.0	-122.92	345.11	7.35	-115.57
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(CC2=CC=CC=C2)C2=CC=C(F)C=C2)S1	REAL300003893903	1	42	-2.0	-118.49	377.75	10.05	-108.44
CCCC(OC1=CC=C(Cl)C=C1C)C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003893904	1	42	-2.0	-120.17	375.03	8.87	-111.30
CC1=C(C(=O)[O-])N=C([N-]C(=O)[C@H](C)C2=CC=C(F)C=C2)S1	REAL300003893914	1	32	-2.0	-115.62	298.58	6.50	-109.12
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(CC2=CC=C(F)C=C2)C2=CC=CC=C2)S1	REAL300003893917	1	42	-2.0	-118.73	377.74	10.05	-108.68
CC1=C(C(=O)[O-])N=C([N-]C(=O)C23CCN(CCC2)S3(=O)=O)S1	REAL300003893921	1	35	-2.0	-130.34	309.63	1.42	-128.92
CC1=C(C(=O)[O-])N=C([N-]C(=O)[C@H](C)C2=CC(C)=CC=C2)S1	REAL300003893928	1	35	-2.0	-119.96	313.58	7.10	-112.86
CC1=NN(CC(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)C(C)=C1C	REAL300003893936	1	35	-2.0	-123.45	316.78	4.92	-118.53
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C(Cl)C=C3F)CC2)S1	REAL300003893938	1	33	-2.0	-124.05	327.23	7.76	-116.29
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCC3=NN=CN32)S1	REAL300003893942	1	32	-2.0	-115.64	288.34	6.38	-109.26
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2C=CC3=CC(F)=CC=C32)S1	REAL300003893944	1	33	-2.0	-116.27	314.93	7.43	-108.84
COC(C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1)C1=CC=CN=C1	REAL300003893947	1	32	-2.0	-122.76	302.49	4.18	-118.58
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CC3(C)CCCN3S2(=O)=O)S1	REAL300003893984	1	38	-2.0	-121.52	327.91	2.20	-119.32
CC1=C(C(=O)[O-])N=C([N-]C(=O)C23CCC(C)(CC2)CO3)S1	REAL300003893995	1	37	-2.0	-124.63	311.21	4.72	-119.91
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2=CC(C)=C(C)NC2=O)S1	REAL300003893999	1	32	-2.0	-140.05	294.92	3.88	-136.17
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C(C)C=C3F)CC2)S1	REAL300003894002	1	36	-2.0	-128.78	331.91	7.91	-120.87
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)OC2=C(F)C=CC=C2F)S1	REAL300003894010	1	36	-2.0	-132.54	328.27	6.94	-125.60
CC=CC1=CC=C(OCC(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)C(OC)=C1	REAL300003894031	1	41	-2.0	-128.40	366.18	7.47	-120.93
CC1=C(C(=O)[O-])N=C(NC(=O)C2=C(C)N=C(C3=CC=CO3)[N-]C2=O)S1	REAL300003894054	0	35	-2.0	-107.74	326.04	3.95	-103.79
COC1=CC=CC=C1OC(C)C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003894068	1	37	-2.0	-130.07	331.31	6.05	-124.02
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2N=CC(Cl)=C2C)S1	REAL300003894069	1	29	-2.0	-117.45	293.59	4.28	-113.17
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CCC(C3CCCO3)O2)S1	REAL300003894072	1	38	-2.0	-123.60	330.09	4.56	-119.04
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CC=CC3=CC=CC=C32)S1	REAL300003894077	1	34	-2.0	-119.53	308.37	7.51	-112.02
CC1=C(C(=O)[O-])N=C([N-]C(=O)C23COC(C)(C2)CCC3)S1	REAL300003894089	1	37	-2.0	-119.99	309.56	4.53	-115.46
CC1=C(C(=O)[O-])N=C([N-]C(=O)CSC2=CC=C(S(N)(=O)=O)C=C2)S1	REAL300003894095	1	35	-2.0	-121.05	347.93	1.32	-119.73
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2C(F)(F)C23CCC3)S1	REAL300003894097	1	30	-2.0	-117.92	283.99	5.78	-112.14
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3CCOCC3)CC2(F)F)S1	REAL300003894102	1	37	-2.0	-121.10	323.59	5.72	-115.38
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3CCC3)CC2(F)F)S1	REAL300003894103	1	33	-2.0	-118.46	296.97	6.79	-111.67
CC1=C(C(=O)[O-])N=C([N-]C(=O)CN2N=NC3=CC=CC=C32)S1	REAL300003894106	1	31	-2.0	-124.40	298.58	3.97	-120.43
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2=CC3=C(CCC(C(C)(C)C)C3)NC2=O)S1	REAL300003894112	1	48	-2.0	-138.62	387.60	7.19	-131.43
COC1=CC=C2C(=C1)CCCC2C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003894115	1	40	-2.0	-121.48	339.97	7.75	-113.73
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(O)C2=CC=C(Cl)C=C2Cl)S1	REAL300003894118	1	30	-2.0	-112.94	310.99	5.28	-107.66
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC(C(F)(F)F)=CC=N2)S1	REAL300003894122	1	37	-2.0	-120.57	344.03	6.40	-114.17
CC1=C(C(=O)[O-])N=C([N-]C(=O)C23CCC(C2)S(=O)(=O)CC3)S1	REAL300003894155	1	36	-2.0	-122.30	312.81	2.38	-119.92
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCC3=NC=CC=C32)S1	REAL300003894156	1	35	-2.0	-118.80	305.55	6.63	-112.17
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CCC3(CCOCC3)O2)S1	REAL300003894182	1	38	-2.0	-124.65	324.91	4.36	-120.29
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=CC3=CC=CC=C32)S1	REAL300003894184	1	38	-2.0	-122.97	334.07	8.54	-114.43
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=CC=C2Cl)S1	REAL300003894185	1	32	-2.0	-117.73	305.84	6.85	-110.88
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)N2C=CC(C3CC3)=N2)S1	REAL300003894188	1	36	-2.0	-115.41	324.54	5.75	-109.66
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C2=CC=C(F)C=C2)C2CC2)S1	REAL300003894191	1	36	-2.0	-116.32	326.56	8.60	-107.72
CC1=C(C(=O)[O-])N=C([N-]C(=O)C23CC4(C)CC(C)(CC(F)(C4)C2)C3)S1	REAL300003894195	1	46	-2.0	-124.72	363.91	8.15	-116.57
CC1=CC(C(F)(F)C(=O)[N-]C2=NC(C(=O)[O-])=C(C)S2)=CS1	REAL300003894196	0	29	-2.0	-114.93	298.27	5.79	-109.14
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(F)(F)C2=CN(C)N=C2)S1	REAL300003894197	0	29	-2.0	-116.32	289.93	3.82	-112.50
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=NC=C3)CC2)S1	REAL300003894211	1	32	-2.0	-119.68	292.74	6.30	-113.38
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C)(C)N2C=CC(C3CC3)=N2)S1	REAL300003894212	1	39	-2.0	-121.64	345.62	6.47	-115.17
COC12CCC(C(=O)[N-]C3=NC(C(=O)[O-])=C(C)S3)(CC1)C2	REAL300003894216	1	37	-2.0	-122.76	316.23	4.54	-118.22
CC1=C(C(=O)[O-])N=C([N-]C(=O)C23CC4CC(CC(C4)O2)C3)S1	REAL300003894217	1	38	-2.0	-127.31	309.70	5.15	-122.16
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CS3)CCOCC2)S1	REAL300003894218	1	37	-2.0	-117.99	328.64	5.85	-112.14
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C2=CC=C(C)C=C2)C2CC2)S1	REAL300003894221	1	39	-2.0	-120.99	341.57	9.21	-111.78
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C(F)C=C3C)CC2)S1	REAL300003894223	1	36	-2.0	-118.50	327.26	7.61	-110.89
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC(F)=CC=C3C)CC2)S1	REAL300003894224	1	36	-2.0	-118.59	327.91	7.59	-111.00
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C([N+](=O)[O-])C=C3)CC2)S1	REAL300003894225	1	35	-2.0	-116.78	325.75	8.75	-108.03
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C(Cl)C=C3)CC(F)(F)C2)S1	REAL300003894230	1	36	-2.0	-118.01	340.05	8.89	-109.12
CC1=C(C(=O)[O-])N=C([N-]C(=O)[C@]23COC[C@H]2C3(F)F)S1	REAL300003894232	1	28	-2.0	-117.42	274.17	3.04	-114.38
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(F)(F)C2=CC(F)=CC=C2C)S1	REAL300003894233	0	32	-2.0	-114.49	306.27	6.45	-108.04
CCC1=CC=CC=C1C(F)(F)C(=O)[N-]C1=NC(C(=O)[O-])=C(C)S1	REAL300003894234	0	35	-2.0	-118.51	316.70	6.97	-111.54
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2=C3CCCCC3=NNC2=O)S1	REAL300003894248	1	35	-2.0	-127.84	308.17	3.75	-124.09
CC1=C(C(=O)[O-])N=C([N-]C(=O)C23CC(C(F)(F)F)(C2)CO3)S1	REAL300003894265	1	31	-2.0	-115.04	301.56	3.79	-111.25
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC(F)=C3C)CC2)S1	REAL300003894271	1	36	-2.0	-123.63	326.77	7.55	-116.08
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CS3)CCCC2)S1	REAL300003894272	1	36	-2.0	-121.04	322.19	7.68	-113.36
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(C2=CC=CS2)C2CCCCC2)S1	REAL300003894273	1	42	-2.0	-121.54	362.82	8.74	-112.80
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2CCCN3C=NN=C23)S1	REAL300003894293	1	32	-2.0	-131.02	290.82	6.12	-124.90
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(O)C2=CC(C)=CC=C2)S1	REAL300003894294	1	33	-2.0	-118.20	304.56	4.57	-113.63
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(O)CC2=CC=CC=C2)S1	REAL300003894301	1	33	-2.0	-116.65	306.92	4.55	-112.10
CC1=C(C(=O)[O-])N=C([N-]C(=O)C2(O)CCCC(C)CC2)S1	REAL300003894304	1	39	-2.0	-118.71	313.26	3.98	-114.73
CC1=C(C(=O)[O-])N=C([N-]C(=O)C(O)C2CCC(C(C)(C)C)CC2)S1	REAL300003894305	1	48	-2.0	-117.07	365.24	6.67	-110.40
CC1=C(C(=O)[O-])N=C([N-]C(=O)[C@@H](O)CC2=CC3=CC=CC=C3C=C2)S1	REAL300003894312	1	39	-2.0	-118.32	353.01	6.81	-111.51
CC1=C(C(=O)[O-])N=C([N-]C(=O)C23CC(C2)CN3C2CC2)S1	REAL300003894329	1	36	-2.0	-122.39	307.42	4.37	-118.02
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=NOC(C(=O)[O-])=C3)CC2)O1	REAL300003895394	1	41	-2.0	-90.18	366.09	2.07	-88.11
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C2=NOC(C(=O)[O-])=C2)CC1	REAL300003895581	0	44	-2.0	-99.61	380.03	5.03	-94.58
CC1=C(C(=O)N2CCC(C3=NOC(C(=O)[O-])=C3)CC2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300003896108	1	50	-2.0	-103.38	410.27	6.33	-97.05
O=C([O-])C1=CC(C2CCN(C(=O)C3=CC=C([O-])C(F)=C3)CC2)=NO1	REAL300003897091	1	37	-2.0	-93.88	323.06	6.09	-87.79
O=C([O-])C1=CC(C2CCN(C(=O)C3=CC=C(C(F)(F)F)C=C3[O-])CC2)=NO1	REAL300003897104	1	40	-2.0	-100.68	355.06	7.29	-93.39
O=C([O-])C1=CC(C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)=NO1	REAL300003897160	0	37	-2.0	-87.40	320.02	4.50	-82.90
O=C([O-])C1=CC(C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=NO1	REAL300003897160	1	37	-2.0	-87.40	320.08	4.51	-82.89
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC(C3=NOC(C(=O)[O-])=C3)CC2)C=N1	REAL300003897235	0	43	-2.0	-91.63	377.02	4.08	-87.55
O=C([O-])C1=CC(C2CCN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)CC2)=NO1	REAL300003897266	1	42	-2.0	-101.38	361.82	5.55	-95.83
O=C([O-])C1=CC(C2CCN(C(=O)C3=CN=CC([O-])=C3)CC2)=NO1	REAL300003897304	1	36	-2.0	-93.64	310.30	4.07	-89.57
O=C([O-])C1=CC(C2CCN(C(=O)C3=C([O-])C4=CC=CC=C4C=N3)CC2)=NO1	REAL300003897461	1	42	-2.0	-105.41	353.73	9.00	-96.41
O=C([O-])C1=CC(C2CCN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)CC2)=NO1	REAL300003897748	0	37	-2.0	-88.60	337.26	6.60	-82.00
COC1=C(C(=O)N2CCC(C3=NOC(C(=O)[O-])=C3)CC2)NC(=O)[N-]C1=O	REAL300003897767	1	40	-2.0	-92.36	350.80	0.57	-91.79
O=C([O-])C1=CC(C2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)=NO1	REAL300003897863	0	40	-2.0	-94.21	341.48	5.26	-88.95
O=C([O-])C1=CC(C2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)=NO1	REAL300003897863	1	40	-2.0	-94.24	341.53	5.28	-88.96
O=C([O-])C1=CC(C2CCN(C(=O)C3=CC=C([O-])C(Cl)=C3)CC2)=NO1	REAL300003897898	0	37	-2.0	-89.71	332.86	6.57	-83.14
CCOC1=CC(C(=O)N2CCC(C3=NOC(C(=O)[O-])=C3)CC2)=CC(Cl)=C1[O-]	REAL300003897901	1	44	-2.0	-92.44	383.88	7.62	-84.82
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(C3=NOC(C(=O)[O-])=C3)CC2)=CO1	REAL300003897934	1	41	-2.0	-88.74	366.35	1.91	-86.83
O=C([O-])C1=CC(C2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)=NO1	REAL300003898093	0	40	-2.0	-82.71	349.23	5.53	-77.18
O=C([O-])C1=CC(C2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)=NO1	REAL300003898093	1	40	-2.0	-82.71	349.30	5.53	-77.18
O=C([O-])C1=CC(C2CCN(C(=O)C3=C[N-]N=CC3=O)CC2)=NO1	REAL300003898367	0	35	-2.0	-89.70	309.94	4.57	-85.13
COCC1=NC=C(C(=O)N2CCC(C3=NOC(C(=O)[O-])=C3)CC2)C(=O)[N-]1	REAL300003898400	1	42	-2.0	-99.57	363.65	3.10	-96.47
O=C([O-])C1=CC(C2CCN(C(=O)C3=CN=C(C4CCC4)[N-]C3=O)CC2)=NO1	REAL300003898447	1	45	-2.0	-88.01	372.37	6.01	-82.00
O=C([O-])C1=CC(C2CCN(C(=O)C3=CC(Cl)=CC(Cl)=C3[O-])CC2)=NO1	REAL300003898745	0	37	-2.0	-96.00	350.17	7.45	-88.55
CC1=C(C(=O)N2CCC(C3=NOC(C(=O)[O-])=C3)CC2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300003899041	0	45	-2.0	-106.28	390.57	5.41	-100.87
O=C([O-])C1=CSC(CC2CCN(C(=O)C3=CC=C([O-])C(F)=C3)CC2)=N1	REAL300003900898	1	40	-2.0	-99.73	349.29	6.22	-93.51
O=C([O-])C1=CSC(CC2CCN(C(=O)CCC3=N[N-]N=N3)CC2)=N1	REAL300003900965	0	40	-2.0	-95.02	348.06	4.67	-90.35
O=C([O-])C1=CSC(CC2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=N1	REAL300003900965	1	40	-2.0	-95.01	348.12	4.68	-90.33
O=C([O-])C1=CSC(CC2CCN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)CC2)=N1	REAL300003901032	1	45	-2.0	-120.36	391.27	5.94	-114.42
O=C([O-])C1=CSC(CC2CCN(C(=O)C3=CN=CC([O-])=C3)CC2)=N1	REAL300003901047	1	39	-2.0	-110.70	339.98	4.48	-106.22
O=C([O-])C1=CSC(CC2CCN(C(=O)C3=C([O-])C4=CC=CC=C4C=N3)CC2)=N1	REAL300003901141	1	45	-2.0	-119.12	383.20	9.38	-109.74
O=C([O-])C1=CSC(CC2CCN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)CC2)=N1	REAL300003901346	0	40	-2.0	-96.39	365.31	6.77	-89.62
COC1=C(C(=O)N2CCC(CC3=NC(C(=O)[O-])=CS3)CC2)NC(=O)[N-]C1=O	REAL300003901364	1	43	-2.0	-113.11	380.17	0.95	-112.16
O=C([O-])C1=CSC(CC2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)=N1	REAL300003901433	0	43	-2.0	-101.39	369.55	5.45	-95.94
O=C([O-])C1=CSC(CC2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)=N1	REAL300003901433	1	43	-2.0	-101.41	369.61	5.46	-95.95
O=C([O-])C1=CSC(CC2CCN(C(=O)C3=CC=C([O-])C(Cl)=C3)CC2)=N1	REAL300003901458	0	40	-2.0	-96.13	359.10	6.70	-89.43
O=C([O-])C1=CSC(CC2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)=N1	REAL300003901570	0	43	-2.0	-92.98	377.27	5.69	-87.29
O=C([O-])C1=CSC(CC2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)=N1	REAL300003901570	1	43	-2.0	-92.97	377.33	5.70	-87.27
O=C([O-])C1=CSC(CC2CCN(C(=O)C3=C[N-]N=CC3=O)CC2)=N1	REAL300003901733	0	38	-2.0	-108.54	339.35	4.96	-103.58
COCC1=NC=C(C(=O)N2CCC(CC3=NC(C(=O)[O-])=CS3)CC2)C(=O)[N-]1	REAL300003901753	1	45	-2.0	-102.30	386.51	3.21	-99.09
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC(CCCC(C)C)C(=O)[O-])C=C1	REAL300003905251	1	51	-2.0	-126.90	428.72	11.23	-115.67
CC(C)CCCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300003905608	1	52	-2.0	-97.06	432.16	4.61	-92.45
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CCCC(C)C)C(=O)[O-])O1	REAL300003905609	1	43	-2.0	-96.28	378.55	2.08	-94.20
CC(C)CCCC(NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1)C(=O)[O-]	REAL300003906096	1	50	-2.0	-111.12	420.29	6.48	-104.64
CC1=C(CC(=O)NC(CCCC(C)C)C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003906292	1	52	-2.0	-116.06	431.14	6.67	-109.39
CC(C)CCCC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300003907169	1	42	-2.0	-117.61	362.01	8.92	-108.69
CC(C)CCCC(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300003907255	0	45	-2.0	-103.55	387.14	4.40	-99.15
CC(C)CCCC(NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C(=O)[O-]	REAL300003907277	1	44	-2.0	-110.43	364.20	5.86	-104.57
CC(C)CCCC(NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-])C(=O)[O-]	REAL300003907329	0	55	-2.0	-132.69	446.50	9.52	-123.17
CC(C)CCCC(NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])C(=O)[O-]	REAL300003907330	0	55	-2.0	-131.09	446.44	9.51	-121.58
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(CCCC(C)C)C(=O)[O-])=N1	REAL300003907392	0	49	-2.0	-127.55	413.97	8.61	-118.94
CC(C)CCCC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300003907397	0	46	-2.0	-128.27	392.90	7.59	-120.68
CC(C)CCCC(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(=O)[O-]	REAL300003907422	1	44	-2.0	-133.46	366.05	8.48	-124.98
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(CCCC(C)C)C(=O)[O-])=N2)=C1	REAL300003907552	0	49	-2.0	-135.66	410.99	8.25	-127.41
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CCCC(C)C)C(=O)[O-])=N1	REAL300003907553	0	52	-2.0	-134.35	427.51	9.33	-125.02
CC1=C(CC(=O)NC(CCCC(C)C)C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003907603	1	52	-2.0	-113.92	430.42	6.62	-107.30
CC(C)CCCC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300003907648	0	39	-2.0	-96.68	347.08	6.92	-89.76
COC1=C(C(=O)NC(CCCC(C)C)C(=O)[O-])NC(=O)[N-]C1=O	REAL300003907655	1	42	-2.0	-97.31	354.06	1.94	-95.37
CC(C)CCCC(NC(=O)C1=CC=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300003907749	0	39	-2.0	-98.48	341.71	6.81	-91.67
CCOC1=CC(C(=O)NC(CCCC(C)C)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300003907752	1	46	-2.0	-101.63	391.93	7.90	-93.73
COC1=CC=C(N2C=C([O-])C(C(=O)NC(CCCC(C)C)C(=O)[O-])=N2)C=C1	REAL300003907760	0	50	-2.0	-130.78	415.72	6.89	-123.89
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CCCC(C)C)C(=O)[O-])=CO1	REAL300003907774	1	43	-2.0	-102.22	377.68	2.07	-100.15
CC(C)CCCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300003907901	0	42	-2.0	-90.14	360.62	4.99	-85.15
CC(C)CCCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300003907901	1	42	-2.0	-90.11	360.69	4.99	-85.12
COCC1=NC=C(C(=O)NC(CCCC(C)C)C(=O)[O-])C(=O)[N-]1	REAL300003908143	1	44	-2.0	-109.35	366.74	3.47	-105.88
CC(C)CCCC(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(=O)[O-]	REAL300003908180	1	47	-2.0	-110.63	379.96	6.40	-104.23
CC(C)CCCC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300003908411	0	39	-2.0	-113.55	356.07	8.96	-104.59
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])O1	REAL300003910137	1	41	-2.0	-100.60	384.78	2.65	-97.95
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)C1=CC=C([O-])C(F)=C1	REAL300003911376	1	37	-2.0	-102.65	338.14	6.90	-95.75
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300003911388	1	40	-2.0	-122.96	367.20	9.52	-113.44
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)CCC1=N[N-]N=N1	REAL300003911432	0	37	-2.0	-98.36	335.60	4.96	-93.40
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)CCC1=NN=N[N-]1	REAL300003911432	1	37	-2.0	-98.32	335.65	4.97	-93.35
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300003911504	1	42	-2.0	-114.79	370.84	6.46	-108.33
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)C1=CN=CC([O-])=C1	REAL300003911527	1	36	-2.0	-107.63	326.59	5.07	-102.56
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300003911629	1	42	-2.0	-137.75	372.29	9.04	-128.71
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300003911856	0	37	-2.0	-99.42	354.15	7.46	-91.96
COC1=C(C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])NC(=O)[N-]C1=O	REAL300003911869	1	40	-2.0	-100.52	359.03	2.61	-97.91
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)CCCC1=N[N-]N=N1	REAL300003911939	0	40	-2.0	-105.06	356.85	5.79	-99.27
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)CCCC1=NN=N[N-]1	REAL300003911939	1	40	-2.0	-105.02	356.91	5.81	-99.21
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300003911967	0	37	-2.0	-100.47	347.94	7.40	-93.07
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])=CO1	REAL300003911987	1	41	-2.0	-102.95	383.91	2.63	-100.32
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300003912106	0	40	-2.0	-93.50	367.68	5.52	-87.98
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300003912106	1	40	-2.0	-93.46	367.75	5.54	-87.92
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)C1=C[N-]N=CC1=O	REAL300003912300	0	35	-2.0	-106.10	319.20	5.43	-100.67
COCC1=NC=C(C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])C(=O)[N-]1	REAL300003912323	1	42	-2.0	-116.30	372.88	4.12	-112.18
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300003912359	1	45	-2.0	-114.63	385.75	7.05	-107.58
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300003912564	0	37	-2.0	-118.68	362.25	9.50	-109.18
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC(CC2CCCO2)C(=O)[O-])C=C1	REAL300003913835	1	47	-2.0	-120.29	403.68	8.73	-111.56
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC2CCCO2)C(=O)[O-])O1	REAL300003914192	1	48	-2.0	-101.18	407.88	2.11	-99.07
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC2CCCO2)C(=O)[O-])O1	REAL300003914193	1	39	-2.0	-99.60	352.42	-0.31	-99.91
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(CC2CCCO2)C(=O)[O-])=CS1	REAL300003914680	1	46	-2.0	-122.35	394.43	4.02	-118.33
CC1=C(CC(=O)NC(CC2CCCO2)C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003914876	1	48	-2.0	-132.72	404.11	4.23	-128.49
O=C([O-])C(CC1CCCO1)NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300003915753	1	38	-2.0	-122.42	334.40	6.90	-115.52
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(CC2CCCO2)C(=O)[O-])C=N1	REAL300003915839	0	41	-2.0	-107.63	359.31	2.47	-105.16
O=C([O-])C(CC1CCCO1)NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300003915861	1	40	-2.0	-116.94	336.81	3.95	-112.99
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC(CC3CCCO3)C(=O)[O-])=N2)=C1	REAL300003915913	0	51	-2.0	-138.81	418.92	7.51	-131.30
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(CC3CCCO3)C(=O)[O-])=N2)C=C1	REAL300003915914	0	51	-2.0	-137.23	418.84	7.50	-129.73
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(CC2CCCO2)C(=O)[O-])=N1	REAL300003915976	0	45	-2.0	-134.64	388.12	6.15	-128.49
O=C([O-])C(CC1CCCO1)NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300003915981	0	42	-2.0	-134.38	365.06	5.65	-128.73
O=C([O-])C(CC1CCCO1)NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300003916006	1	40	-2.0	-139.53	338.21	6.54	-132.99
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(CC3CCCO3)C(=O)[O-])=N2)=C1	REAL300003916136	0	45	-2.0	-142.68	385.12	5.78	-136.90
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CC2CCCO2)C(=O)[O-])=N1	REAL300003916137	0	48	-2.0	-141.27	401.87	6.82	-134.45
CC1=C(CC(=O)NC(CC2CCCO2)C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003916187	1	48	-2.0	-131.24	404.54	4.16	-127.08
O=C([O-])C(CC1CCCO1)NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300003916232	0	35	-2.0	-101.53	321.80	4.49	-97.04
COC1=C(C(=O)NC(CC2CCCO2)C(=O)[O-])NC(=O)[N-]C1=O	REAL300003916239	1	38	-2.0	-102.07	326.05	0.00	-102.07
O=C([O-])C(CC1CCCO1)NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300003916333	0	35	-2.0	-102.59	315.59	4.42	-98.17
CCOC1=CC(C(=O)NC(CC2CCCO2)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300003916336	1	42	-2.0	-107.01	366.64	5.46	-101.55
COC1=CC=C(N2C=C([O-])C(C(=O)NC(CC3CCCO3)C(=O)[O-])=N2)C=C1	REAL300003916344	0	46	-2.0	-136.77	388.13	4.90	-131.87
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CC2CCCO2)C(=O)[O-])=CO1	REAL300003916358	1	39	-2.0	-107.67	351.56	-0.35	-108.02
O=C([O-])C(CC1CCCO1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300003916485	0	38	-2.0	-94.13	333.61	3.01	-91.12
O=C([O-])C(CC1CCCO1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300003916485	1	38	-2.0	-94.08	333.68	3.02	-91.06
COCC1=NC=C(C(=O)NC(CC2CCCO2)C(=O)[O-])C(=O)[N-]1	REAL300003916727	1	40	-2.0	-115.18	338.66	1.59	-113.59
O=C([O-])C(CC1CCCO1)NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300003916764	1	43	-2.0	-117.24	352.96	4.43	-112.81
O=C([O-])C(CC1CCCO1)NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300003916995	0	35	-2.0	-118.64	328.47	6.94	-111.70
CC1=C(CCC(=O)NC[C@H]2C[C@H]2C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300003918274	1	48	-2.0	-108.00	391.45	5.61	-102.39
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])=C1	REAL300003918588	0	38	-2.0	-113.48	332.54	3.39	-110.09
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1	REAL300003918835	1	42	-2.0	-109.84	378.33	5.65	-104.19
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300003918878	0	38	-2.0	-114.70	332.61	3.61	-111.09
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1	REAL300003918916	1	40	-2.0	-119.83	354.96	8.55	-111.28
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300003918966	1	42	-2.0	-97.26	378.09	5.67	-91.59
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1	REAL300003918968	1	45	-2.0	-100.39	391.78	6.36	-94.03
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300003919083	1	42	-2.0	-103.38	371.68	5.60	-97.78
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300003919084	1	42	-2.0	-111.21	371.88	5.60	-105.61
CC1=CC(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300003919095	0	38	-2.0	-89.15	353.12	3.78	-85.37
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NC[C@H]3C[C@H]3C(=O)[O-])C=C2)C=C1	REAL300003919215	1	45	-2.0	-100.99	393.27	6.26	-94.73
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300003919297	0	39	-2.0	-101.95	363.63	4.60	-97.35
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])O1	REAL300003919314	1	41	-2.0	-92.59	358.36	1.86	-90.73
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])O1	REAL300003919315	1	32	-2.0	-91.84	303.59	-0.58	-92.42
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NC[C@H]3C[C@H]3C(=O)[O-])=C2)C=C1	REAL300003919424	1	45	-2.0	-116.64	393.31	6.25	-110.39
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)NC[C@H]3C[C@H]3C(=O)[O-])=C2)=C1	REAL300003919461	1	45	-2.0	-117.21	393.31	6.25	-110.96
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])=C1	REAL300003919532	0	42	-2.0	-120.41	366.94	1.63	-118.78
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300003919580	0	35	-2.0	-113.08	311.15	2.71	-110.37
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300003919589	0	39	-2.0	-109.51	363.81	4.60	-104.91
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300003919590	0	42	-2.0	-119.16	388.46	5.29	-113.87
CC(C)C(=O)[N-]C1=NC(CC(=O)NC[C@H]2C[C@H]2C(=O)[O-])=CS1	REAL300003919892	1	39	-2.0	-114.97	345.35	3.82	-111.15
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300003920065	0	35	-2.0	-105.31	317.56	2.78	-102.53
CC1=C(CC(=O)NC[C@H]2C[C@H]2C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003920074	1	41	-2.0	-119.58	355.26	3.98	-115.60
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300003920079	0	41	-2.0	-115.28	354.11	4.40	-110.88
CC1=C(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300003920129	1	41	-2.0	-100.87	335.95	4.23	-96.64
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300003920235	1	42	-2.0	-100.33	371.87	5.60	-94.73
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300003920651	0	41	-2.0	-118.44	357.02	4.98	-113.46
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1=CC(Br)=C([O-])C(Br)=C1	REAL300003920732	0	28	-2.0	-92.69	291.53	4.92	-87.77
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300003920785	1	31	-2.0	-116.02	287.28	6.19	-109.83
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=N1	REAL300003920861	0	34	-2.0	-100.40	312.20	1.74	-98.66
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300003920914	1	41	-2.0	-96.86	366.91	3.82	-93.04
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC[C@H]3C[C@H]3C(=O)[O-])=N2)=C1	REAL300003920929	0	44	-2.0	-125.88	371.79	6.80	-119.08
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC[C@H]3C[C@H]3C(=O)[O-])=N2)C=C1	REAL300003920930	0	44	-2.0	-124.94	371.71	6.80	-118.14
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])=N1	REAL300003920984	0	38	-2.0	-122.01	339.28	5.91	-116.10
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300003920987	0	35	-2.0	-123.34	317.95	4.95	-118.39
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300003921015	0	35	-2.0	-96.23	333.42	3.03	-93.20
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1=CN=C(I)C([O-])=C1	REAL300003921046	0	27	-2.0	-98.51	272.65	2.77	-95.74
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC[C@H]3C[C@H]3C(=O)[O-])=N2)=C1	REAL300003921082	0	38	-2.0	-129.66	336.29	5.53	-124.13
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])=N1	REAL300003921083	0	41	-2.0	-127.93	352.78	6.62	-121.31
CC1=C(CC(=O)NC[C@H]2C[C@H]2C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003921106	1	41	-2.0	-118.21	355.44	3.98	-114.23
CCOC1=CC(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300003921175	1	35	-2.0	-99.79	317.80	5.17	-94.62
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300003921179	0	38	-2.0	-128.39	341.42	6.31	-122.08
COC1=CC=C(N2C=C([O-])C(C(=O)NC[C@H]3C[C@H]3C(=O)[O-])=N2)C=C1	REAL300003921185	0	39	-2.0	-124.89	341.00	4.18	-120.71
C[N-]S(=O)(=O)C1=CC(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])=CO1	REAL300003921200	1	32	-2.0	-104.18	302.73	-0.60	-104.78
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300003921640	0	28	-2.0	-111.30	281.36	6.23	-105.07
CC1=C(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300003921810	0	36	-2.0	-103.88	316.16	3.31	-100.57
CC[C@H]1CN(C(=O)C2=CC(C)=CC=C2[N-]S(C)(=O)=O)C[C@]1(F)C(=O)[O-]	REAL300003923471	0	44	-2.0	-98.80	370.64	4.99	-93.81
CC[C@H]1CN(C(=O)C2=CC=CC=C2[N-]S(=O)(=O)CC)C[C@]1(F)C(=O)[O-]	REAL300003923776	0	44	-2.0	-104.59	367.48	5.27	-99.32
CC[C@H]1CN(C(=O)CN2C(=S)[N-]N=C2C2=CC=C(C)C=C2)C[C@]1(F)C(=O)[O-]	REAL300003923823	1	46	-2.0	-101.13	392.40	10.59	-90.54
CC[C@H]1CN(C(=O)C2=CC=C(S(=O)(=O)[N-]C(C)(C)C)O2)C[C@]1(F)C(=O)[O-]	REAL300003924255	1	47	-2.0	-103.12	396.80	4.04	-99.08
CC[C@H]1CN(C(=O)C2=CC=C(S(=O)(=O)[N-]C)O2)C[C@]1(F)C(=O)[O-]	REAL300003924256	1	38	-2.0	-100.17	338.75	1.58	-98.59
CC[C@H]1CN(C(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)C[C@]1(F)C(=O)[O-]	REAL300003924525	0	41	-2.0	-98.41	350.17	4.36	-94.05
CC[C@H]1CN(C(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)C[C@]1(F)C(=O)[O-]	REAL300003924874	1	45	-2.0	-93.70	385.47	5.98	-87.72
CC[C@H]1CN(C(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)C[C@]1(F)C(=O)[O-]	REAL300003925109	0	41	-2.0	-96.20	358.45	4.46	-91.74
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1C[C@H](CC)[C@@](F)(C(=O)[O-])C1	REAL300003925115	0	47	-2.0	-105.16	388.97	6.04	-99.12
CC[C@H]1CN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C[C@]1(F)C(=O)[O-]	REAL300003926238	1	37	-2.0	-115.34	326.15	7.69	-107.65
CC[C@H]1CN(C(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C[C@]1(F)C(=O)[O-]	REAL300003926345	0	40	-2.0	-94.64	348.71	3.46	-91.18
CC[C@H]1CN(C(=O)C2=NN(C3=CC=CC(C(C)C)=C3)C=C2[O-])C[C@]1(F)C(=O)[O-]	REAL300003926436	0	50	-2.0	-116.34	408.89	9.13	-107.21
CC[C@H]1CN(C(=O)C2=NN(C3=CC=C(C(C)C)C=C3)C=C2[O-])C[C@]1(F)C(=O)[O-]	REAL300003926437	0	50	-2.0	-112.24	406.12	9.16	-103.08
CC[C@H]1CN(C(=O)C2=NN(C3=CC=C(F)C=C3C)C=C2[O-])C[C@]1(F)C(=O)[O-]	REAL300003926531	0	44	-2.0	-109.65	377.24	8.20	-101.45
CC[C@H]1CN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C[C@]1(F)C(=O)[O-]	REAL300003926536	0	41	-2.0	-108.25	355.05	7.27	-100.98
CC[C@H]1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C[C@]1(F)C(=O)[O-]	REAL300003926569	1	39	-2.0	-111.17	325.19	8.41	-102.76
CC[C@H]1CN(C(=O)C2=NN(C3=CC(C)=CC=C3F)C=C2[O-])C[C@]1(F)C(=O)[O-]	REAL300003926730	0	44	-2.0	-117.36	374.70	7.84	-109.52
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2C[C@H](CC)[C@@](F)(C(=O)[O-])C2)=N1	REAL300003926731	0	47	-2.0	-115.14	389.04	8.80	-106.34
CC[C@H]1CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C[C@]1(F)C(=O)[O-]	REAL300003926859	0	34	-2.0	-86.97	307.80	5.84	-81.13
CC[C@H]1CN(C(=O)C2=C(OC)C(=O)[N-]C(=O)N2)C[C@]1(F)C(=O)[O-]	REAL300003926873	1	37	-2.0	-93.25	316.00	1.47	-91.78
CC[C@H]1CN(C(=O)C2=CC=C([O-])C(Cl)=C2)C[C@]1(F)C(=O)[O-]	REAL300003927005	0	34	-2.0	-87.35	300.32	5.82	-81.53
CCOC1=CC(C(=O)N2C[C@H](CC)[C@@](F)(C(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300003927008	1	41	-2.0	-92.21	354.37	6.89	-85.32
CC[C@H]1CN(C(=O)C2=NN(C3=CC=C(OC)C=C3)C=C2[O-])C[C@]1(F)C(=O)[O-]	REAL300003927020	0	45	-2.0	-112.18	375.41	6.53	-105.65
CC[C@H]1CN(C(=O)C2=COC(S(=O)(=O)[N-]C)=C2)C[C@]1(F)C(=O)[O-]	REAL300003927044	1	38	-2.0	-88.47	338.16	1.25	-87.22
CC[C@H]1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@]1(F)C(=O)[O-]	REAL300003927201	0	37	-2.0	-87.24	320.62	4.88	-82.36
CC[C@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@]1(F)C(=O)[O-]	REAL300003927201	1	37	-2.0	-87.19	320.69	4.90	-82.29
CC[C@H]1CN(C(=O)C2=CN=C(COC)[N-]C2=O)C[C@]1(F)C(=O)[O-]	REAL300003927523	1	39	-2.0	-122.11	338.27	2.59	-119.52
CC[C@H]1CN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C[C@]1(F)C(=O)[O-]	REAL300003927869	0	34	-2.0	-97.29	322.06	7.44	-89.85
CC[C@H]1CN(C(=O)C2=C(C)N=C(C3=CC=CO3)[N-]C2=O)C[C@]1(F)C(=O)[O-]	REAL300003928166	1	42	-2.0	-131.00	365.22	4.89	-126.11
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)=C1	REAL300003929013	0	49	-2.0	-102.23	403.71	4.18	-98.05
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300003929261	0	49	-2.0	-103.14	403.79	4.39	-98.75
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)O1	REAL300003929645	1	43	-2.0	-90.60	374.76	0.18	-90.42
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300003929861	0	46	-2.0	-101.84	382.32	3.49	-98.35
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)=CS1	REAL300003930173	1	50	-2.0	-101.98	416.48	4.59	-97.39
CC1=C(C(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300003930457	1	52	-2.0	-92.53	405.64	4.95	-87.58
O=C([O-])C1CC2(C1)CC(NC(=O)C1=CC=C([O-])C(F)=C1)CCO2	REAL300003931483	1	39	-2.0	-93.68	328.13	4.43	-89.25
O=C([O-])C1CC2(C1)CC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])CCO2	REAL300003931496	1	42	-2.0	-102.79	358.46	6.96	-95.83
O=C(CCC1=N[N-]N=N1)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300003931538	0	39	-2.0	-91.22	324.87	2.43	-88.79
O=C(CCC1=NN=N[N-]1)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300003931538	1	39	-2.0	-91.27	324.93	2.44	-88.83
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C=N1	REAL300003931621	0	45	-2.0	-95.49	382.65	2.48	-93.01
O=C([O-])C1CC2(C1)CC(NC(=O)C1=CN=C(C3CC3)[N-]C1=O)CCO2	REAL300003931656	1	44	-2.0	-93.28	361.10	3.93	-89.35
O=C([O-])C1CC2(C1)CC(NC(=O)C1=CN=CC([O-])=C1)CCO2	REAL300003931698	1	38	-2.0	-96.65	316.27	2.50	-94.15
O=C([O-])C1CC2(C1)CC(NC(=O)C1=NN(C3=CC=CC(F)=C3)C=C1[O-])CCO2	REAL300003931811	0	46	-2.0	-111.07	389.12	5.71	-105.36
O=C([O-])C1CC2(C1)CC(NC(=O)C1=C([O-])C3=CC=CC=C3C=N1)CCO2	REAL300003931857	1	44	-2.0	-111.57	362.27	6.58	-104.99
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)=N1	REAL300003932016	0	52	-2.0	-115.41	423.97	7.38	-108.03
O=C([O-])C1CC2(C1)CC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)CCO2	REAL300003932148	0	39	-2.0	-91.26	343.42	4.93	-86.33
COC1=C(C(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)NC(=O)[N-]C1=O	REAL300003932166	1	42	-2.0	-93.49	350.28	0.05	-93.44
O=C(CCCC1=N[N-]N=N1)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300003932265	0	42	-2.0	-99.67	346.38	3.21	-96.46
O=C(CCCC1=NN=N[N-]1)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300003932265	1	42	-2.0	-99.68	346.43	3.22	-96.46
O=C([O-])C1CC2(C1)CC(NC(=O)C1=CC=C([O-])C(Cl)=C1)CCO2	REAL300003932303	0	39	-2.0	-90.53	337.93	4.93	-85.60
CCOC1=CC(C(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)=CC(Cl)=C1[O-]	REAL300003932306	1	46	-2.0	-94.97	388.27	5.91	-89.06
C[N-]S(=O)(=O)C1=CC(C(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)=CO1	REAL300003932338	1	43	-2.0	-98.94	373.19	0.11	-98.83
O=C([O-])C1CC2(C1)CC(NC(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)CCO2	REAL300003932504	0	42	-2.0	-86.12	357.67	3.06	-83.06
O=C([O-])C1CC2(C1)CC(NC(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)CCO2	REAL300003932504	1	42	-2.0	-86.14	357.74	3.07	-83.07
O=C([O-])C1CC2(C1)CC(NC(=O)C1=C[N-]N=CC1=O)CCO2	REAL300003932792	0	37	-2.0	-83.85	308.48	2.91	-80.94
COCC1=NC=C(C(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C(=O)[N-]1	REAL300003932827	1	44	-2.0	-92.52	363.10	1.57	-90.95
O=C([O-])C1CC2(C1)CC(NC(=O)C1=CN=C(C3CCC3)[N-]C1=O)CCO2	REAL300003932876	1	47	-2.0	-93.33	376.86	4.48	-88.85
O=C([O-])C1CC2(C1)CC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])CCO2	REAL300003933196	0	39	-2.0	-98.62	352.53	7.00	-91.62
CSCC(NC(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O)C(=O)[O-]	REAL300003934304	1	48	-2.0	-105.79	406.72	5.80	-99.99
CSCC(NC(=O)C1=CC(C)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300003934648	0	38	-2.0	-115.29	348.89	3.65	-111.64
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CSC)C(=O)[O-]	REAL300003934956	0	38	-2.0	-116.28	348.96	3.86	-112.42
CSCC(NC(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1)C(=O)[O-]	REAL300003935002	1	40	-2.0	-124.63	370.29	8.81	-115.82
CSCC(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300003935184	1	42	-2.0	-106.36	388.07	5.87	-100.49
CSCC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300003935185	1	42	-2.0	-111.09	387.56	5.90	-105.19
CSCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300003935445	1	41	-2.0	-96.92	375.40	2.06	-94.86
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CSC)C(=O)[O-])O1	REAL300003935446	1	32	-2.0	-95.21	319.26	-0.29	-95.50
CSCC(NC(=O)C1=CC(NC(C)=O)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300003935675	0	42	-2.0	-120.29	382.92	1.90	-118.39
CSCC(NC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300003935719	0	35	-2.0	-114.64	327.73	2.89	-111.75
CSCC(NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1)C(=O)[O-]	REAL300003936082	1	39	-2.0	-110.09	361.69	4.06	-106.03
CSCC(NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300003936301	0	35	-2.0	-107.11	333.91	3.02	-104.09
CSCC(NC(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O)C(=O)[O-]	REAL300003936308	1	41	-2.0	-115.88	372.55	4.25	-111.63
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CSC)C(=O)[O-]	REAL300003936313	0	41	-2.0	-116.96	370.46	4.65	-112.31
CSCC(NC(=O)C1=C(C)N=C(C(C)(C)C)[N-]C1=O)C(=O)[O-]	REAL300003936377	1	41	-2.0	-111.14	351.90	4.39	-106.75
CSCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300003936474	1	42	-2.0	-99.05	388.22	5.84	-93.21
CSCC(NC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300003937048	0	41	-2.0	-119.54	373.62	5.15	-114.39
CSCC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300003937228	1	31	-2.0	-116.89	303.65	6.43	-110.46
CSCC(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300003937320	0	34	-2.0	-102.98	328.55	1.99	-100.99
CSCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300003937382	1	41	-2.0	-94.86	382.59	4.11	-90.75
CSCC(NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-])C(=O)[O-]	REAL300003937397	0	44	-2.0	-132.26	388.38	6.96	-125.30
CSCC(NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])C(=O)[O-]	REAL300003937398	0	44	-2.0	-130.58	388.31	6.96	-123.62
CSCC(NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-])C(=O)[O-]	REAL300003937466	0	38	-2.0	-127.18	355.61	6.12	-121.06
CSCC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300003937470	0	35	-2.0	-127.98	334.29	5.17	-122.81
CSCC(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(=O)[O-]	REAL300003937492	1	33	-2.0	-132.89	307.46	6.05	-126.84
CSCC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300003937511	0	35	-2.0	-94.97	349.10	3.32	-91.65
CSCC(NC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300003937554	0	27	-2.0	-98.69	289.25	2.94	-95.75
CSCC(NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-])C(=O)[O-]	REAL300003937609	0	38	-2.0	-135.16	352.87	5.70	-129.46
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CSC)C(=O)[O-])=N1	REAL300003937610	0	41	-2.0	-133.88	369.38	6.78	-127.10
CSCC(NC(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O)C(=O)[O-]	REAL300003937658	1	41	-2.0	-113.85	371.83	4.20	-109.65
CSCC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300003937693	0	28	-2.0	-95.95	288.64	4.51	-91.44
COC1=C(C(=O)NC(CSC)C(=O)[O-])NC(=O)[N-]C1=O	REAL300003937697	1	31	-2.0	-96.56	294.79	-0.43	-96.99
CCOC1=CC(C(=O)NC(CSC)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300003937784	1	35	-2.0	-101.00	333.49	5.48	-95.52
CSCC(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300003937788	0	38	-2.0	-136.21	357.78	6.54	-129.67
COC1=CC=C(N2C=C([O-])C(C(=O)NC(CSC)C(=O)[O-])=N2)C=C1	REAL300003937796	0	39	-2.0	-130.28	357.36	4.41	-125.87
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CSC)C(=O)[O-])=CO1	REAL300003937815	1	32	-2.0	-101.18	318.41	-0.32	-101.50
CSCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300003937934	0	31	-2.0	-89.43	302.19	2.58	-86.85
CSCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300003937934	1	31	-2.0	-89.38	302.25	2.58	-86.80
COCC1=NC=C(C(=O)NC(CSC)C(=O)[O-])C(=O)[N-]1	REAL300003938185	1	33	-2.0	-108.21	307.46	1.08	-107.13
CSCC(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(=O)[O-]	REAL300003938218	1	36	-2.0	-110.24	322.20	3.96	-106.28
CSCC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300003938447	0	28	-2.0	-113.02	297.70	6.46	-106.56
CSCC(NC(=O)C1=C(C)N=C(C2=CC=CO2)[N-]C1=O)C(=O)[O-]	REAL300003938687	0	36	-2.0	-113.88	332.13	3.45	-110.43
CC1=C(CCC(=O)NC2=CC=C(C(=O)[O-])N=C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300003942724	1	47	-2.0	-102.36	391.62	5.25	-97.11
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC=C(C(=O)[O-])N=C2)=C1	REAL300003943083	1	37	-2.0	-102.88	333.77	3.07	-99.81
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(C(=O)[O-])N=C1	REAL300003943397	1	37	-2.0	-104.07	333.84	3.29	-100.78
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2=CC=C(C(=O)[O-])N=C2)C=C1	REAL300003943447	1	39	-2.0	-110.99	356.03	8.21	-102.78
O=C([O-])C1=CC=C(NC(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3)C=C2)C=N1	REAL300003943629	1	41	-2.0	-98.42	372.93	5.28	-93.14
O=C([O-])C1=CC=C(NC(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)C=N1	REAL300003943630	1	41	-2.0	-104.36	373.36	5.27	-99.09
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])N=C2)O1	REAL300003943901	1	40	-2.0	-89.56	358.43	1.63	-87.93
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])N=C2)O1	REAL300003943902	1	31	-2.0	-89.68	304.80	-0.91	-90.59
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC=C(C(=O)[O-])N=C2)=C1	REAL300003944137	0	41	-2.0	-105.84	368.21	1.33	-104.51
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(C(=O)[O-])N=C1	REAL300003944183	0	34	-2.0	-102.72	312.38	2.39	-100.33
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=CC=C(C(=O)[O-])N=C2)=CS1	REAL300003944558	1	38	-2.0	-106.36	346.54	3.51	-102.85
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1=CC=C(C(=O)[O-])N=C1	REAL300003944788	0	34	-2.0	-96.36	318.79	2.46	-93.90
CC1=C(CC(=O)NC2=CC=C(C(=O)[O-])N=C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003944795	1	40	-2.0	-108.92	357.43	3.70	-105.22
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(C(=O)[O-])N=C1	REAL300003944800	1	40	-2.0	-104.45	355.34	4.08	-100.37
CC1=C(C(=O)NC2=CC=C(C(=O)[O-])N=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300003944868	1	40	-2.0	-91.83	338.20	3.96	-87.87
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3)C=C2)C=N1	REAL300003944966	1	41	-2.0	-98.08	373.09	5.28	-92.80
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NC1=CC=C(C(=O)[O-])N=C1	REAL300003945570	0	40	-2.0	-108.31	358.51	4.65	-103.66
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C=N1	REAL300003945755	1	30	-2.0	-103.32	288.52	5.76	-97.56
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])N=C2)C=N1	REAL300003945855	0	33	-2.0	-95.71	313.42	1.42	-94.29
O=C([O-])C1=CC=C(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)C=N1	REAL300003945885	1	32	-2.0	-93.05	292.59	2.82	-90.23
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=NC=C3)C=C2)C=N1	REAL300003945924	0	40	-2.0	-94.75	368.13	3.51	-91.24
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3=CC=C(C(=O)[O-])N=C3)=N2)=C1	REAL300003945939	0	43	-2.0	-112.29	373.27	6.45	-105.84
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(C(=O)[O-])N=C3)=N2)C=C1	REAL300003945940	0	43	-2.0	-111.43	373.20	6.45	-104.98
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(C(=O)[O-])N=C2)=N1	REAL300003946013	0	37	-2.0	-108.89	340.71	5.56	-103.33
O=C([O-])C1=CC=C(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C=N1	REAL300003946017	0	34	-2.0	-110.22	319.42	4.60	-105.62
O=C([O-])C1=CC=C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C=N1	REAL300003946040	0	32	-2.0	-111.34	292.57	5.40	-105.94
O=C([O-])C1=CC=C(NC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)C=N1	REAL300003946059	0	34	-2.0	-90.27	334.90	2.70	-87.57
O=C([O-])C1=CC=C(NC(=O)C2=CN=C(I)C([O-])=C2)C=N1	REAL300003946106	0	26	-2.0	-92.06	274.14	2.43	-89.63
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC=C(C(=O)[O-])N=C3)=N2)=C1	REAL300003946164	0	37	-2.0	-115.90	337.75	5.18	-110.72
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(C(=O)[O-])N=C2)=N1	REAL300003946165	0	40	-2.0	-113.32	347.08	6.34	-106.98
CC1=C(CC(=O)NC2=CC=C(C(=O)[O-])N=C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003946220	1	40	-2.0	-107.47	356.69	3.64	-103.83
O=C([O-])C1=CC=C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C=N1	REAL300003946257	0	27	-2.0	-91.58	274.20	3.88	-87.70
CCOC1=CC(C(=O)NC2=CC=C(C(=O)[O-])N=C2)=CC(Cl)=C1[O-]	REAL300003946357	1	34	-2.0	-94.57	319.04	4.85	-89.72
O=C([O-])C1=CC=C(NC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])C=N1	REAL300003946361	0	37	-2.0	-114.63	342.66	5.96	-108.67
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(C(=O)[O-])N=C3)=N2)C=C1	REAL300003946368	0	38	-2.0	-111.52	342.48	3.83	-107.69
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=C(C(=O)[O-])N=C2)=CO1	REAL300003946388	1	31	-2.0	-99.74	303.97	-0.93	-100.67
O=C([O-])C1=CC=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)C=N1	REAL300003946457	0	35	-2.0	-97.31	315.87	7.74	-89.57
O=C([O-])C1=CC=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)C=N1	REAL300003946457	1	35	-2.0	-101.05	316.41	7.70	-93.35
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=N1	REAL300003946512	0	30	-2.0	-86.70	287.79	1.97	-84.73
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=N1	REAL300003946512	1	30	-2.0	-86.73	287.72	1.97	-84.76
COCC1=NC=C(C(=O)NC2=CC=C(C(=O)[O-])N=C2)C(=O)[N-]1	REAL300003946770	1	32	-2.0	-92.78	294.44	0.48	-92.30
O=C([O-])C1=CC=C(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C=N1	REAL300003946803	1	35	-2.0	-93.01	308.34	3.37	-89.64
O=C([O-])C1=CC=C(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C=N1	REAL300003947055	0	27	-2.0	-99.09	282.59	5.79	-93.30
CC1=C(C(=O)NC2=CC=C(C(=O)[O-])N=C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300003947302	0	35	-2.0	-95.22	316.75	2.96	-92.26
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC(C(=O)[O-])=CN=C2C)=C1	REAL300003948406	1	40	-2.0	-115.15	351.17	3.85	-111.30
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC(C(=O)[O-])=CN=C1C	REAL300003948727	1	40	-2.0	-116.52	351.25	4.07	-112.45
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2=CC(C(=O)[O-])=CN=C2C)C=C1	REAL300003948778	1	42	-2.0	-127.02	373.31	9.02	-118.00
CC1=NC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300003949227	1	43	-2.0	-91.56	377.94	2.27	-89.29
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC(C(=O)[O-])=CN=C2C)O1	REAL300003949228	1	34	-2.0	-90.84	322.49	-0.15	-90.99
CC1=NC=C(C(=O)[O-])C=C1NC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O	REAL300003949503	0	37	-2.0	-114.92	329.78	3.17	-111.75
CC1=NC=C(C(=O)[O-])C=C1NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1	REAL300003949874	1	41	-2.0	-118.52	363.95	4.29	-114.23
CC1=NC=C(C(=O)[O-])C=C1NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O	REAL300003950113	0	37	-2.0	-106.75	336.19	3.24	-103.51
CC1=NC=C(C(=O)[O-])C=C1NC(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O	REAL300003950116	1	43	-2.0	-119.35	374.82	4.48	-114.87
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC(C(=O)[O-])=CN=C1C	REAL300003950119	1	43	-2.0	-117.16	372.75	4.86	-112.30
CC1=NC=C(C(=O)[O-])C=C1NC(=O)C1=C(C)N=C(C(C)(C)C)[N-]C1=O	REAL300003950200	1	43	-2.0	-97.61	353.94	4.68	-92.93
COC1=CC=C(C(=O)NC2=CC(C(=O)[O-])=CN=C2C)C([O-])=C1	REAL300003950679	1	34	-2.0	-128.38	296.63	4.85	-123.53
CC1=NC=C(C(=O)[O-])C=C1NC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O	REAL300003951022	0	43	-2.0	-121.00	375.67	5.44	-115.56
CC1=NC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300003951225	1	33	-2.0	-117.74	306.18	6.52	-111.22
CC1=NC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300003951334	0	36	-2.0	-100.46	330.83	2.21	-98.25
CC1=NC=C(C(=O)[O-])C=C1NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300003951367	1	35	-2.0	-96.84	307.39	3.57	-93.27
CC1=NC=C(C(=O)[O-])C=C1NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-]	REAL300003951425	0	46	-2.0	-127.24	390.36	7.23	-120.01
CC1=NC=C(C(=O)[O-])C=C1NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-]	REAL300003951426	0	46	-2.0	-126.39	390.34	7.24	-119.15
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC(C(=O)[O-])=CN=C2C)=N1	REAL300003951512	0	40	-2.0	-122.78	353.09	6.36	-116.42
CC1=NC=C(C(=O)[O-])C=C1NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300003951517	0	37	-2.0	-124.47	336.57	5.38	-119.09
CC1=NC=C(C(=O)[O-])C=C1NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300003951546	0	35	-2.0	-127.73	309.72	6.16	-121.57
CC1=NC=C(C(=O)[O-])C=C1NC(=O)C1=CN=C(I)C([O-])=C1	REAL300003951623	0	29	-2.0	-100.27	292.24	3.26	-97.01
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC(C(=O)[O-])=CN=C3C)=N2)=C1	REAL300003951691	0	40	-2.0	-131.40	354.91	5.97	-125.43
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC(C(=O)[O-])=CN=C2C)=N1	REAL300003951692	0	43	-2.0	-128.24	365.10	7.16	-121.08
CC1=NC=C(C(=O)[O-])C=C1NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300003951811	0	30	-2.0	-97.76	291.60	4.67	-93.09
CC1=NC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300003951940	0	30	-2.0	-96.41	285.39	4.61	-91.80
CCOC1=CC(C(=O)NC2=CC(C(=O)[O-])=CN=C2C)=CC(Cl)=C1[O-]	REAL300003951944	1	37	-2.0	-100.43	336.44	5.64	-94.79
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC(C(=O)[O-])=CN=C3C)=N2)C=C1	REAL300003951956	0	41	-2.0	-126.26	359.63	4.61	-121.65
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC(C(=O)[O-])=CN=C2C)=CO1	REAL300003951978	1	34	-2.0	-107.97	321.38	-0.15	-108.12
CC1=NC=C(C(=O)[O-])C=C1NC(=O)C1=C(C(=O)C2=CC=CC=C2)N=C[N-]1	REAL300003952066	0	38	-2.0	-109.07	334.76	8.58	-100.49
CC1=NC=C(C(=O)[O-])C=C1NC(=O)C1=C(C(=O)C2=CC=CC=C2)[N-]C=N1	REAL300003952066	1	38	-2.0	-109.17	334.71	8.59	-100.58
CC1=NC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300003952131	0	33	-2.0	-89.73	305.12	2.74	-86.99
CC1=NC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300003952131	1	33	-2.0	-89.68	305.19	2.75	-86.93
COCC1=NC=C(C(=O)NC2=CC(C(=O)[O-])=CN=C2C)C(=O)[N-]1	REAL300003952443	1	35	-2.0	-96.69	309.23	1.23	-95.46
CC1=NC=C(C(=O)[O-])C=C1NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300003952488	1	38	-2.0	-96.73	323.14	4.12	-92.61
CC1=NC=C(C(=O)[O-])C=C1NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300003952784	0	30	-2.0	-112.65	300.26	6.56	-106.09
CC1=NC=C(C(=O)[O-])C=C1NC(=O)C1=C(C)N=C(C2=CC=CO2)[N-]C1=O	REAL300003953068	0	38	-2.0	-100.77	334.07	3.75	-97.02
CC1=C(CCC(=O)NC2CC(CC(=O)[O-])C2)C(=O)NC(N2CCOCC2)=N1	REAL300003953563	0	51	-2.0	-105.80	410.03	6.33	-99.47
CC1=C(CCC(=O)NC2CC(CC(=O)[O-])C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300003953563	1	51	-2.0	-105.80	410.03	6.33	-99.47
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300003953911	0	41	-2.0	-102.38	352.18	4.14	-98.24
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1CC(CC(=O)[O-])C1	REAL300003954221	0	41	-2.0	-103.33	352.26	4.37	-98.96
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300003954267	1	43	-2.0	-106.81	374.41	9.24	-97.57
O=C([O-])CC1CC(NC(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3)C=C2)C1	REAL300003954449	1	45	-2.0	-98.63	391.46	6.32	-92.31
O=C([O-])CC1CC(NC(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)C1	REAL300003954450	1	45	-2.0	-103.91	391.52	6.36	-97.55
CC1=CC(C(=O)NC2CC(CC(=O)[O-])C2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300003954463	0	41	-2.0	-86.62	372.77	4.53	-82.09
O=C([O-])CC1CC(NC(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CS3)C=C2)C1	REAL300003954695	0	42	-2.0	-97.09	383.38	5.32	-91.77
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2CC(CC(=O)[O-])C2)O1	REAL300003954713	1	44	-2.0	-96.40	378.68	2.57	-93.83
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2CC(CC(=O)[O-])C2)O1	REAL300003954714	1	35	-2.0	-90.03	323.33	0.10	-89.93
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300003954954	0	45	-2.0	-108.15	386.88	2.36	-105.79
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1CC(CC(=O)[O-])C1	REAL300003955000	0	38	-2.0	-101.86	330.79	3.47	-98.39
O=C([O-])CC1CC(NC(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CS3)=C2)C1	REAL300003955008	0	42	-2.0	-102.23	383.45	5.37	-96.86
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2CC(CC(=O)[O-])C2)=CS1	REAL300003955360	1	42	-2.0	-103.63	365.06	4.52	-99.11
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1CC(CC(=O)[O-])C1	REAL300003955568	0	38	-2.0	-96.49	337.20	3.53	-92.96
CC1=C(CC(=O)NC2CC(CC(=O)[O-])C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003955575	1	44	-2.0	-104.37	375.83	4.77	-99.60
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1CC(CC(=O)[O-])C1	REAL300003955580	0	44	-2.0	-103.75	373.76	5.16	-98.59
CC1=C(C(=O)NC2CC(CC(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300003955642	1	44	-2.0	-93.93	355.17	4.92	-89.01
O=C([O-])CC1CC(NC(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3)C=C2)C1	REAL300003955741	1	45	-2.0	-96.60	391.62	6.30	-90.30
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NC1CC(CC(=O)[O-])C1	REAL300003956290	0	44	-2.0	-106.62	376.67	5.72	-100.90
O=C([O-])CC1CC(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300003956459	1	34	-2.0	-102.29	306.92	6.93	-95.36
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2CC(CC(=O)[O-])C2)C=N1	REAL300003956546	0	37	-2.0	-99.21	331.83	2.50	-96.71
O=C([O-])CC1CC(NC(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=NC=C3)C=C2)C1	REAL300003956607	1	44	-2.0	-93.11	386.67	4.54	-88.57
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3CC(CC(=O)[O-])C3)=N2)=C1	REAL300003956622	0	47	-2.0	-115.11	391.54	7.49	-107.62
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3CC(CC(=O)[O-])C3)=N2)C=C1	REAL300003956623	0	47	-2.0	-114.06	391.47	7.49	-106.57
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2CC(CC(=O)[O-])C2)=N1	REAL300003956692	0	41	-2.0	-111.35	358.99	6.60	-104.75
O=C([O-])CC1CC(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1	REAL300003956696	0	38	-2.0	-112.48	337.68	5.64	-106.84
O=C([O-])CC1CC(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300003956717	1	36	-2.0	-114.44	310.74	6.55	-107.89
O=C([O-])CC1CC(NC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)C1	REAL300003956735	0	38	-2.0	-88.25	353.06	3.77	-84.48
O=C([O-])CC1CC(NC(=O)C2=CN=C(I)C([O-])=C2)C1	REAL300003956773	0	30	-2.0	-92.15	292.30	3.52	-88.63
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3CC(CC(=O)[O-])C3)=N2)=C1	REAL300003956822	0	41	-2.0	-118.70	356.03	6.23	-112.47
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2CC(CC(=O)[O-])C2)=N1	REAL300003956823	0	44	-2.0	-116.00	365.39	7.38	-108.62
CC1=C(CC(=O)NC2CC(CC(=O)[O-])C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003956864	1	44	-2.0	-102.68	375.10	4.71	-97.97
O=C([O-])CC1CC(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300003956896	0	31	-2.0	-92.38	292.60	4.96	-87.42
CCOC1=CC(C(=O)NC2CC(CC(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300003956980	1	38	-2.0	-96.82	337.45	5.94	-90.88
O=C([O-])CC1CC(NC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])C1	REAL300003956984	0	41	-2.0	-117.56	361.18	7.02	-110.54
COC1=CC=C(N2C=C([O-])C(C(=O)NC3CC(CC(=O)[O-])C3)=N2)C=C1	REAL300003956991	0	42	-2.0	-114.02	360.75	4.87	-109.15
C[N-]S(=O)(=O)C1=CC(C(=O)NC2CC(CC(=O)[O-])C2)=CO1	REAL300003957008	1	35	-2.0	-96.62	322.37	0.14	-96.48
O=C([O-])CC1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300003957128	0	34	-2.0	-88.58	306.14	3.05	-85.53
O=C([O-])CC1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300003957128	1	34	-2.0	-88.53	306.21	3.05	-85.48
O=C([O-])CC1CC(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300003957388	1	39	-2.0	-101.37	325.47	4.44	-96.93
O=C([O-])CC1CC(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300003957591	0	31	-2.0	-98.95	301.00	6.97	-91.98
CC1=C(C(=O)NC2CC(CC(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300003957814	0	39	-2.0	-97.80	335.56	4.00	-93.80
CC1=C(CCC(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300003958256	1	52	-2.0	-132.52	397.65	8.59	-123.93
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)=C1	REAL300003958616	0	42	-2.0	-131.97	345.73	5.66	-126.31
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1	REAL300003958929	0	42	-2.0	-133.60	342.17	6.53	-127.07
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)C=C1	REAL300003958978	1	44	-2.0	-143.79	361.70	11.40	-132.39
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)O1	REAL300003959428	1	45	-2.0	-107.62	362.57	4.43	-103.19
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)O1	REAL300003959429	1	36	-2.0	-105.84	309.66	2.06	-103.78
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)=C1	REAL300003959662	0	46	-2.0	-136.85	380.41	3.83	-133.02
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1	REAL300003959707	0	39	-2.0	-131.12	315.97	4.92	-126.20
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)=CS1	REAL300003960082	1	43	-2.0	-116.58	353.80	6.58	-110.00
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1	REAL300003960316	0	39	-2.0	-121.89	330.77	5.07	-116.82
CC1=C(CC(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003960322	1	45	-2.0	-120.85	363.77	6.72	-114.13
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1	REAL300003960327	0	45	-2.0	-134.43	358.93	6.61	-127.82
CC1=C(C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300003960397	1	45	-2.0	-142.95	352.34	6.70	-136.25
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1	REAL300003961126	0	45	-2.0	-113.53	366.52	7.06	-106.47
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3=CC=C(C(F)(F)F)C=C3[O-])C[C@@H]21	REAL300003961318	1	35	-2.0	-112.06	288.47	7.02	-105.04
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)C=N1	REAL300003961416	0	38	-2.0	-112.48	317.79	3.94	-108.54
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)C[C@@H]21	REAL300003961446	1	37	-2.0	-142.13	302.95	6.03	-136.10
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CC[C@H]4[C@@H](C(=O)[O-])[C@H]4C3)=N2)=C1	REAL300003961501	0	48	-2.0	-146.00	377.86	9.68	-136.32
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CC[C@H]4[C@@H](C(=O)[O-])[C@H]4C3)=N2)C=C1	REAL300003961502	0	48	-2.0	-144.27	377.80	9.68	-134.59
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)=N1	REAL300003961576	0	42	-2.0	-131.90	347.95	8.58	-123.32
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3=NN(C4=CC=CC(F)=C4)C=C3[O-])C[C@@H]21	REAL300003961580	0	39	-2.0	-141.81	324.02	7.83	-133.98
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3=C([O-])C4=CC=CC=C4C=N3)C[C@@H]21	REAL300003961604	1	37	-2.0	-143.84	296.32	8.95	-134.89
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C3)C[C@@H]21	REAL300003961623	0	39	-2.0	-97.77	341.56	5.72	-92.05
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3=CN=C(I)C([O-])=C3)C[C@@H]21	REAL300003961672	0	31	-2.0	-116.26	277.15	5.59	-110.67
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CC[C@H]4[C@@H](C(=O)[O-])[C@H]4C3)=N2)=C1	REAL300003961734	0	42	-2.0	-150.38	342.36	8.42	-141.96
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)=N1	REAL300003961735	0	45	-2.0	-143.85	351.34	9.32	-134.53
CC1=C(CC(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003961792	1	45	-2.0	-118.28	363.94	6.71	-111.57
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)C[C@@H]21	REAL300003961832	0	32	-2.0	-105.19	280.58	6.57	-98.62
COC1=C(C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)NC(=O)[N-]C1=O	REAL300003961840	1	35	-2.0	-107.58	292.46	0.71	-106.87
CCOC1=CC(C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)=CC(Cl)=C1[O-]	REAL300003961944	1	39	-2.0	-115.90	324.31	7.70	-108.20
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3=NN(C4=CC=CC=C4C(F)(F)F)C=C3[O-])C[C@@H]21	REAL300003961948	0	42	-2.0	-143.84	329.14	8.54	-135.30
COC1=CC=C(N2C=C([O-])C(C(=O)N3CC[C@H]4[C@@H](C(=O)[O-])[C@H]4C3)=N2)C=C1	REAL300003961956	0	43	-2.0	-143.32	347.08	7.06	-136.26
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)=CO1	REAL300003961977	1	36	-2.0	-99.70	302.20	1.77	-97.93
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C[C@@H]21	REAL300003962103	0	35	-2.0	-96.85	290.49	5.42	-91.43
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C[C@@H]21	REAL300003962103	1	35	-2.0	-96.82	290.56	5.43	-91.39
COCC1=NC=C(C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)C(=O)[N-]1	REAL300003962369	1	37	-2.0	-114.97	299.41	2.91	-112.06
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3=CN=C(C4CCC4)[N-]C3=O)C[C@@H]21	REAL300003962406	1	40	-2.0	-115.13	310.67	5.77	-109.36
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3=CC(Cl)=CC(Cl)=C3[O-])C[C@@H]21	REAL300003962662	0	32	-2.0	-135.54	291.97	7.93	-127.61
CC1=C(C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300003962919	0	40	-2.0	-144.95	332.62	5.80	-139.15
O=C([O-])C1=CC=C(S(=O)(=O)NCC(=O)NC2=NC3=C(CCC3)S2)C=C1	REAL300003963649	0	38	-2.0	-97.40	356.70	2.93	-94.47
O=C(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)[N-]C1=NC2=C(CCC2)S1	REAL300003963649	1	38	-2.0	-97.40	356.70	2.93	-94.47
O=C([O-])C12CCC(C(=O)NC3=NC4=C(CCC4)S3)(CC1)C2	REAL300003963665	0	37	-2.0	-106.65	311.78	6.89	-99.76
O=C([O-])C12CCC(C(=O)[N-]C3=NC4=C(CCC4)S3)(CC1)C2	REAL300003963665	1	37	-2.0	-106.65	311.78	6.89	-99.76
O=C([O-])C12CCC(C(=O)NC3=NC4=C(CCC4)S3)(CC1)CC2	REAL300003963666	0	40	-2.0	-95.90	321.49	7.01	-88.89
O=C([O-])C12CCC(C(=O)[N-]C3=NC4=C(CCC4)S3)(CC1)CC2	REAL300003963666	1	40	-2.0	-95.90	321.49	7.01	-88.89
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)NC2=NC3=C(CCC3)S2)C1	REAL300003963673	0	39	-2.0	-110.80	344.03	6.69	-104.11
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)[N-]C2=NC3=C(CCC3)S2)C1	REAL300003963673	1	39	-2.0	-110.80	344.03	6.69	-104.11
O=C([O-])C1=C(COCC(=O)NC2=NC3=C(CCC3)S2)OC=N1	REAL300003963678	0	33	-2.0	-120.88	310.74	2.21	-118.67
O=C(COCC1=C(C(=O)[O-])N=CO1)[N-]C1=NC2=C(CCC2)S1	REAL300003963678	1	33	-2.0	-120.88	310.74	2.21	-118.67
O=C([O-])CC[C@@H]1CC[C@H](C(=O)NC2=NC3=C(CCC3)S2)O1	REAL300003963683	0	37	-2.0	-105.82	319.75	5.98	-99.84
O=C([O-])CC[C@@H]1CC[C@H](C(=O)[N-]C2=NC3=C(CCC3)S2)O1	REAL300003963683	1	37	-2.0	-105.82	319.75	5.98	-99.84
O=C([O-])C1(C(=O)NC2=NC3=C(CCC3)S2)CC1C1=CC=CC=C1	REAL300003963687	0	37	-2.0	-122.23	321.38	8.60	-113.63
O=C([O-])C1(C(=O)[N-]C2=NC3=C(CCC3)S2)CC1C1=CC=CC=C1	REAL300003963687	1	37	-2.0	-122.23	321.38	8.60	-113.63
O=C([O-])C1=CN(CC(=O)NC2=NC3=C(CCC3)S2)C2=CC=CC=C12	REAL300003963689	0	37	-2.0	-115.59	335.98	8.66	-106.93
O=C([O-])C1=CN(CC(=O)[N-]C2=NC3=C(CCC3)S2)C2=CC=CC=C12	REAL300003963689	1	37	-2.0	-115.59	335.98	8.66	-106.93
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NC1=NC2=C(CCC2)S1	REAL300003963711	0	35	-2.0	-139.93	298.26	4.71	-135.22
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)[N-]C1=NC2=C(CCC2)S1	REAL300003963711	1	35	-2.0	-139.93	298.26	4.71	-135.22
O=C([O-])C12CCC(C(=O)NC3=NC4=C(CCC4)S3)(CC1)CC2	REAL300003963717	0	40	-2.0	-95.90	321.49	7.01	-88.89
O=C([O-])C12CCC(C(=O)[N-]C3=NC4=C(CCC4)S3)(CC1)CC2	REAL300003963717	1	40	-2.0	-95.90	321.49	7.01	-88.89
O=C([O-])C1=CC(CC(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)=CC=C1	REAL300003964069	1	39	-2.0	-109.50	360.08	9.80	-99.70
O=C([O-])C1(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)CC1	REAL300003964070	1	33	-2.0	-117.11	309.43	7.72	-109.39
O=C([O-])C1(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)CC1	REAL300003964071	1	33	-2.0	-117.11	309.43	7.72	-109.39
O=C([O-])C1=CC=C(CC(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)C=C1	REAL300003964080	1	39	-2.0	-101.86	360.08	9.81	-92.05
O=C([O-])C1=CN(CC(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)N=N1	REAL300003964081	1	35	-2.0	-105.76	337.23	5.80	-99.96
O=C([O-])C12CC(C(=O)[N-]C3=NC=C(CC4=CC=CC=C4)S3)(C1)C2	REAL300003964089	1	37	-2.0	-100.03	338.84	8.69	-91.34
O=C([O-])C1(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)CCC1	REAL300003964090	1	36	-2.0	-118.10	322.88	8.13	-109.97
CC(C)(C(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300003964091	1	35	-2.0	-118.82	317.16	8.30	-110.52
O=C([O-])C12CCC(C(=O)[N-]C3=NC=C(CC4=CC=CC=C4)S3)(CC1)C2	REAL300003964093	1	43	-2.0	-103.59	369.22	9.50	-94.09
O=C([O-])C12CCC(C(=O)[N-]C3=NC=C(CC4=CC=CC=C4)S3)(CC1)CC2	REAL300003964094	1	46	-2.0	-96.45	380.98	10.01	-86.44
O=C([O-])C1(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)CCCC1	REAL300003964101	1	39	-2.0	-120.31	338.75	8.94	-111.37
O=C([O-])C1=CN(CC(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)N=C1	REAL300003964104	1	36	-2.0	-104.34	342.16	7.28	-97.06
O=C([O-])C1(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)CC2(CCC2)C1	REAL300003964106	1	43	-2.0	-121.31	367.23	9.84	-111.47
O=C([O-])COCC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300003964110	1	33	-2.0	-110.43	314.35	6.93	-103.50
C[C@@H]1C[C@H](C(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)O[C@H]1C(=O)[O-]	REAL300003964112	1	40	-2.0	-110.71	357.75	8.59	-102.12
CC(C)(CCC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300003964113	1	41	-2.0	-107.77	355.37	8.67	-99.10
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COC(C(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300003964161	1	33	-2.0	-119.18	312.66	6.79	-112.39
C[C@]1(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)C[C@H]1C(=O)[O-]	REAL300003964162	1	36	-2.0	-127.10	331.29	8.17	-118.93
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CC1=CSC([N-]C(=O)CC2CCCC3=CC=C(C(=O)[O-])C=C32)=N1	REAL300003964329	1	39	-2.0	-104.33	330.76	7.59	-96.74
CC1=CSC([N-]C(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)=N1	REAL300003964330	1	35	-2.0	-105.63	319.79	5.28	-100.35
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CC1=CN=C([N-]C(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)S1	REAL300003964360	1	35	-2.0	-111.01	321.96	5.91	-105.10
CC1=CN=C([N-]C(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)S1	REAL300003964363	1	33	-2.0	-111.34	312.04	7.46	-103.88
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COC(C(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300003964456	1	33	-2.0	-121.23	324.30	7.14	-114.09
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CC(C)[C@]1(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3Cl)S2)C[C@H]1C(=O)[O-]	REAL300003964470	1	42	-2.0	-133.83	374.07	9.38	-124.45
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CC(C)(C(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(Br)C=C2)S1	REAL300003964476	1	35	-2.0	-117.15	338.46	8.93	-108.22
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COC(C(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(Br)C=C2)S1	REAL300003964488	1	33	-2.0	-117.58	333.95	7.41	-110.17
C[C@]1(C(=O)[N-]C2=NC=C(CC3=CC=C(Br)C=C3)S2)C[C@H]1C(=O)[O-]	REAL300003964489	1	36	-2.0	-127.77	348.63	9.86	-117.91
CC1CC1(C(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(Br)C=C2)S1	REAL300003964491	1	36	-2.0	-115.96	348.39	8.91	-107.05
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CC(C)(C(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300003964498	1	38	-2.0	-117.53	356.03	9.28	-108.25
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COC(C(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300003964517	1	36	-2.0	-117.49	351.40	7.79	-109.70
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CC1CC1(C(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300003964520	1	39	-2.0	-115.96	365.82	9.29	-106.67
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O=C([O-])C1(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)CCC1	REAL300003964554	1	36	-2.0	-120.49	327.73	8.32	-112.17
CC(C)(C(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300003964555	1	35	-2.0	-120.50	322.75	8.31	-112.19
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C[C@@H]1C[C@H](C(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)O[C@H]1C(=O)[O-]	REAL300003964575	1	40	-2.0	-112.35	363.20	8.62	-103.73
CC(C)(CCC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300003964576	1	41	-2.0	-109.18	360.83	8.70	-100.48
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O=C([O-])C1(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)CC1C1=CC=CC=C1	REAL300003964601	1	43	-2.0	-126.24	386.93	11.04	-115.20
O=C([O-])C1(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)CC=CC1	REAL300003964616	1	37	-2.0	-123.58	339.38	8.54	-115.04
COC(C(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300003964622	1	33	-2.0	-121.91	318.10	6.83	-115.08
C[C@]1(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)C[C@H]1C(=O)[O-]	REAL300003964623	1	36	-2.0	-133.94	331.76	9.23	-124.71
O=C([O-])C12CC(C(=O)[N-]C3=NC=C(CC4=CC=CC=C4F)S3)(C1)OC2	REAL300003964627	1	38	-2.0	-102.35	351.22	6.69	-95.66
CC1CC1(C(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300003964630	1	36	-2.0	-120.83	332.55	8.32	-112.51
O=C([O-])C1(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)CC2(CCC2)C1	REAL300003964631	1	43	-2.0	-124.33	372.69	9.88	-114.45
C=C1CCC1(C(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300003964636	1	37	-2.0	-123.23	343.17	8.74	-114.49
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300003964638	1	41	-2.0	-137.41	360.87	7.53	-129.88
CC(C)[C@]1(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)C[C@H]1C(=O)[O-]	REAL300003964639	1	42	-2.0	-135.44	369.68	9.18	-126.26
CC1=CC(C(=O)[O-])=CC=C1CC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300003964640	1	42	-2.0	-103.95	382.24	10.31	-93.64
O=C([O-])C1=CSC(CC(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)=C1	REAL300003964641	1	36	-2.0	-107.15	357.09	8.98	-98.17
O=C([O-])C1=CC=C(CC(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)C=C1F	REAL300003964642	1	39	-2.0	-103.80	370.09	9.87	-93.93
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300003964643	1	39	-2.0	-127.48	347.51	8.71	-118.77
O=C([O-])C12CCC(C(=O)[N-]C3=NC=C(CC4=CC=CC=C4F)S3)(CC1)CC2	REAL300003964644	1	46	-2.0	-98.75	385.42	10.01	-88.74
CC1=CC=C(CC2=CN=C([N-]C(=O)CC3=CC=CC(C(=O)[O-])=C3)S2)C=C1F	REAL300003964654	1	42	-2.0	-110.17	386.81	10.51	-99.66
CC1=CC=C(CC2=CN=C([N-]C(=O)C3(C(=O)[O-])CC3)S2)C=C1F	REAL300003964655	1	36	-2.0	-116.68	336.16	8.44	-108.24
CC1=CC=C(CC2=CN=C([N-]C(=O)C3(C(=O)[O-])CC3)S2)C=C1F	REAL300003964656	1	36	-2.0	-116.68	336.16	8.44	-108.24
CC1=CC=C(CC2=CN=C([N-]C(=O)CC3=CC=C(C(=O)[O-])C=C3)S2)C=C1F	REAL300003964665	1	42	-2.0	-102.91	386.81	10.52	-92.39
CC1=CC=C(CC2=CN=C([N-]C(=O)CN3C=C(C(=O)[O-])N=N3)S2)C=C1F	REAL300003964666	1	38	-2.0	-106.91	363.96	6.51	-100.40
CC1=CC=C(CC2=CN=C([N-]C(=O)C34CC(C(=O)[O-])(C3)C4)S2)C=C1F	REAL300003964674	1	40	-2.0	-100.48	365.38	9.42	-91.06
CC1=CC=C(CC2=CN=C([N-]C(=O)C3(C(=O)[O-])CCC3)S2)C=C1F	REAL300003964675	1	39	-2.0	-116.99	349.00	9.00	-107.99
CC1=CC=C(CC2=CN=C([N-]C(=O)C(C)(C)C(=O)[O-])S2)C=C1F	REAL300003964676	1	38	-2.0	-119.75	343.89	9.01	-110.74
CC1=CC=C(CC2=CN=C([N-]C(=O)C34CCC(C(=O)[O-])(CC3)C4)S2)C=C1F	REAL300003964678	1	46	-2.0	-104.91	396.21	10.22	-94.69
CC1=CC=C(CC2=CN=C([N-]C(=O)C3(C(=O)[O-])CCCC3)S2)C=C1F	REAL300003964683	1	42	-2.0	-120.00	365.48	9.65	-110.35
CC1=CC=C(CC2=CN=C([N-]C(=O)CN3C=C(C(=O)[O-])C=N3)S2)C=C1F	REAL300003964686	1	39	-2.0	-105.33	368.89	7.99	-97.34
CC1=CC=C(CC2=CN=C([N-]C(=O)C3(C(=O)[O-])CC4(CCC4)C3)S2)C=C1F	REAL300003964688	1	46	-2.0	-120.85	393.96	10.55	-110.30
CC1=CC=C(CC2=CN=C([N-]C(=O)COCC(=O)[O-])S2)C=C1F	REAL300003964691	1	36	-2.0	-111.45	341.07	7.64	-103.81
CC1=CC=C(CC2=CN=C([N-]C(=O)[C@H]3C[C@@H](C)[C@H](C(=O)[O-])O3)S2)C=C1F	REAL300003964693	1	43	-2.0	-111.48	384.52	9.30	-102.18
CC1=CC=C(CC2=CN=C([N-]C(=O)C(C)(C)CCC(=O)[O-])S2)C=C1F	REAL300003964694	1	44	-2.0	-108.71	382.10	9.38	-99.33
CC1=CC=C(CC2=CN=C([N-]C(=O)CN3C=CC(C(=O)[O-])=N3)S2)C=C1F	REAL300003964704	1	39	-2.0	-120.81	368.22	8.01	-112.80
CC1=CC=C(CC2=CN=C([N-]C(=O)[C@H]3CC[C@@H](CCC(=O)[O-])O3)S2)C=C1F	REAL300003964706	1	46	-2.0	-109.56	405.98	9.75	-99.81
CC1=CC=C(CC2=CN=C([N-]C(=O)C3(C(=O)[O-])CC=CC3)S2)C=C1F	REAL300003964728	1	40	-2.0	-120.48	360.65	9.21	-111.27
COC(C(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(C)C(F)=C2)S1	REAL300003964733	1	36	-2.0	-119.28	339.38	7.50	-111.78
CC1=CC=C(CC2=CN=C([N-]C(=O)[C@@]3(C)C[C@H]3C(=O)[O-])S2)C=C1F	REAL300003964734	1	39	-2.0	-126.74	358.03	8.88	-117.86
CC1=CC=C(CC2=CN=C([N-]C(=O)C34CC(C(=O)[O-])(C3)CO4)S2)C=C1F	REAL300003964737	1	41	-2.0	-100.86	372.49	7.36	-93.50
CC1=CC=C(CC2=CN=C([N-]C(=O)C3(C(=O)[O-])CC3C)S2)C=C1F	REAL300003964740	1	39	-2.0	-117.24	353.82	9.00	-108.24
CC1=CC=C(CC2=CN=C([N-]C(=O)C3(C(=O)[O-])CC4(CCC4)C3)S2)C=C1F	REAL300003964741	1	46	-2.0	-120.85	393.96	10.55	-110.30
C=C1CCC1(C(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(C)C(F)=C2)S1	REAL300003964746	1	40	-2.0	-119.77	364.26	9.42	-110.35
CC1=CC=C(CC2=CN=C([N-]C(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C(=O)[O-])S2)C=C1F	REAL300003964748	1	44	-2.0	-135.45	382.16	8.19	-127.26
CC1=CC=C(CC2=CN=C([N-]C(=O)[C@@]3(C(C)C)C[C@H]3C(=O)[O-])S2)C=C1F	REAL300003964749	1	45	-2.0	-133.07	391.82	9.89	-123.18
CC1=CC=C(CC2=CN=C([N-]C(=O)CC3=CC=C(C(=O)[O-])C=C3C)S2)C=C1F	REAL300003964750	1	45	-2.0	-103.65	403.51	10.98	-92.67
CC1=CC=C(CC2=CN=C([N-]C(=O)CC3=CC(C(=O)[O-])=CS3)S2)C=C1F	REAL300003964751	1	39	-2.0	-106.41	378.36	9.66	-96.75
O=C([O-])C1=CC(CC(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)=CC=C1	REAL300003964763	1	39	-2.0	-109.73	366.50	9.87	-99.86
O=C([O-])C1(C(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)CC1	REAL300003964764	1	33	-2.0	-116.22	315.85	7.79	-108.43
O=C([O-])C1(C(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)CC1	REAL300003964765	1	33	-2.0	-116.22	315.85	7.79	-108.43
O=C([O-])C1=CC=C(CC(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)C=C1	REAL300003964774	1	39	-2.0	-102.43	366.50	9.88	-92.55
O=C([O-])C1=CN(CC(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)N=N1	REAL300003964775	1	35	-2.0	-106.48	343.65	5.87	-100.61
O=C([O-])C12CC(C(=O)[N-]C3=NC=C(CC4=CC=CC(F)=C4)S3)(C1)C2	REAL300003964783	1	37	-2.0	-100.08	345.26	8.76	-91.32
O=C([O-])C1(C(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)CCC1	REAL300003964784	1	36	-2.0	-117.23	329.30	8.20	-109.03
CC(C)(C(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300003964785	1	35	-2.0	-119.29	323.58	8.37	-110.92
O=C([O-])C12CCC(C(=O)[N-]C3=NC=C(CC4=CC=CC(F)=C4)S3)(CC1)C2	REAL300003964787	1	43	-2.0	-104.53	375.89	9.58	-94.95
O=C([O-])C12CCC(C(=O)[N-]C3=NC=C(CC4=CC=CC(F)=C4)S3)(CC1)CC2	REAL300003964788	1	46	-2.0	-96.40	387.39	10.09	-86.31
O=C([O-])C1(C(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)CCCC1	REAL300003964794	1	39	-2.0	-119.62	346.82	8.81	-110.81
O=C([O-])C1=CN(CC(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)N=C1	REAL300003964797	1	36	-2.0	-104.95	348.57	7.35	-97.60
O=C([O-])C1(C(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)CC2(CCC2)C1	REAL300003964799	1	43	-2.0	-120.36	373.65	9.91	-110.45
O=C([O-])COCC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300003964803	1	33	-2.0	-111.00	320.76	7.00	-104.00
C[C@@H]1C[C@H](C(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)O[C@H]1C(=O)[O-]	REAL300003964805	1	40	-2.0	-111.07	364.20	8.65	-102.42
CC(C)(CCC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300003964806	1	41	-2.0	-108.25	361.79	8.74	-99.51
O=C([O-])C1=C(COCC(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)OC=N1	REAL300003964811	1	39	-2.0	-117.94	374.61	4.89	-113.05
O=C([O-])C1=NN(CC(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)C=C1	REAL300003964817	1	36	-2.0	-120.30	347.90	7.37	-112.93
O=C([O-])CC[C@@H]1CC[C@H](C(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)O1	REAL300003964820	1	43	-2.0	-109.06	385.67	9.11	-99.95
O=C([O-])C1(C(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)CC1C1=CC=CC=C1	REAL300003964831	1	43	-2.0	-122.13	387.89	11.07	-111.06
O=C([O-])C1(C(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)CC=CC1	REAL300003964846	1	37	-2.0	-119.88	338.97	8.71	-111.17
COC(C(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300003964852	1	33	-2.0	-118.77	319.07	6.86	-111.91
C[C@]1(C(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)C[C@H]1C(=O)[O-]	REAL300003964853	1	36	-2.0	-128.49	335.42	8.62	-119.87
O=C([O-])C12CC(C(=O)[N-]C3=NC=C(CC4=CC=CC(F)=C4)S3)(C1)OC2	REAL300003964857	1	38	-2.0	-100.48	352.24	6.73	-93.75
CC1CC1(C(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300003964860	1	36	-2.0	-116.72	333.50	8.35	-108.37
O=C([O-])C1(C(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)CC2(CCC2)C1	REAL300003964861	1	43	-2.0	-120.36	373.65	9.91	-110.45
C=C1CCC1(C(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300003964866	1	37	-2.0	-119.24	343.95	8.78	-110.46
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300003964868	1	41	-2.0	-134.88	361.82	7.56	-127.32
CC(C)[C@]1(C(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)C[C@H]1C(=O)[O-]	REAL300003964869	1	42	-2.0	-130.88	371.50	9.25	-121.63
CC1=CC(C(=O)[O-])=CC=C1CC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300003964870	1	42	-2.0	-103.19	383.20	10.34	-92.85
O=C([O-])C1=CSC(CC(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)=C1	REAL300003964871	1	36	-2.0	-106.04	358.04	9.01	-97.03
O=C([O-])C1=CC=C(CC(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)C=C1F	REAL300003964872	1	39	-2.0	-103.07	371.04	9.90	-93.17
O=C([O-])C12CCC(C(=O)[N-]C3=NC=C(CC4=CC=CC(F)=C4)S3)(CC1)CC2	REAL300003964874	1	46	-2.0	-96.40	387.39	10.09	-86.31
CC1=CC(CC2=CN=C([N-]C(=O)C3(C(=O)[O-])CC3)S2)=CC=C1Br	REAL300003964875	1	36	-2.0	-115.83	348.93	8.91	-106.92
CC1=CC(CC2=CN=C([N-]C(=O)C3(C(=O)[O-])CC3)S2)=CC=C1Br	REAL300003964876	1	36	-2.0	-115.83	348.93	8.91	-106.92
CC1=CC(CC2=CN=C([N-]C(=O)C(C)(C)C(=O)[O-])S2)=CC=C1Br	REAL300003964877	1	38	-2.0	-117.48	356.66	9.49	-107.99
CC1=CC(CC2=CN=C([N-]C(=O)COCC(=O)[O-])S2)=CC=C1Br	REAL300003964879	1	36	-2.0	-109.30	353.84	8.12	-101.18
COC(C(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(Br)C(C)=C2)S1	REAL300003964883	1	36	-2.0	-117.94	352.15	7.97	-109.97
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)C2(C(=O)[O-])CC2)S1	REAL300003964891	1	36	-2.0	-116.39	338.60	8.58	-107.81
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)C2(C(=O)[O-])CC2)S1	REAL300003964892	1	36	-2.0	-116.39	338.60	8.58	-107.81
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)CN2C=C(C(=O)[O-])N=N2)S1	REAL300003964900	1	38	-2.0	-105.29	366.41	6.65	-98.64
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)C23CC(C(=O)[O-])(C2)C3)S1	REAL300003964905	1	40	-2.0	-99.61	367.76	9.55	-90.06
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)C2(C(=O)[O-])CCC2)S1	REAL300003964906	1	39	-2.0	-117.46	352.05	8.98	-108.48
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)C(C)(C)C(=O)[O-])S1	REAL300003964907	1	38	-2.0	-118.42	346.34	9.15	-109.27
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)C2(C(=O)[O-])CCCC2)S1	REAL300003964912	1	42	-2.0	-119.31	367.91	9.79	-109.52
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)CN2C=C(C(=O)[O-])C=N2)S1	REAL300003964915	1	39	-2.0	-103.85	371.31	8.13	-95.72
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)COCC(=O)[O-])S1	REAL300003964918	1	36	-2.0	-110.09	343.52	7.78	-102.31
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)S1	REAL300003964920	1	43	-2.0	-110.29	386.89	9.44	-100.85
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)C(C)(C)CCC(=O)[O-])S1	REAL300003964921	1	44	-2.0	-107.19	384.55	9.52	-97.67
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)CN2C=CC(C(=O)[O-])=N2)S1	REAL300003964924	1	39	-2.0	-118.84	370.67	8.15	-110.69
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)C2(C(=O)[O-])CC=CC2)S1	REAL300003964941	1	40	-2.0	-120.13	363.07	9.36	-110.77
COC(C(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(Cl)C=C2C)S1	REAL300003964945	1	36	-2.0	-118.65	341.81	7.65	-111.00
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)[C@@]2(C)C[C@H]2C(=O)[O-])S1	REAL300003964946	1	39	-2.0	-129.05	356.50	10.08	-118.97
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)C23CC(C(=O)[O-])(C2)CO3)S1	REAL300003964947	1	41	-2.0	-100.11	374.99	7.51	-92.60
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)C2(C(=O)[O-])CC2C)S1	REAL300003964949	1	39	-2.0	-116.97	356.26	9.13	-107.84
C=C1CCC1(C(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(Cl)C=C2C)S1	REAL300003964951	1	40	-2.0	-119.59	366.88	9.55	-110.04
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)[C@@]2(C(C)C)C[C@H]2C(=O)[O-])S1	REAL300003964953	1	45	-2.0	-131.53	394.21	10.03	-121.50
O=C([O-])C1=CC(CC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)=CC=C1	REAL300003964966	1	39	-2.0	-108.09	366.50	9.87	-98.22
O=C([O-])C1(C(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)CC1	REAL300003964967	1	33	-2.0	-115.85	315.85	7.79	-108.06
O=C([O-])C1(C(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)CC1	REAL300003964968	1	33	-2.0	-115.85	315.85	7.79	-108.06
O=C([O-])C1=CC=C(CC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)C=C1	REAL300003964977	1	39	-2.0	-100.84	366.50	9.88	-90.96
O=C([O-])C1=CN(CC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)N=N1	REAL300003964978	1	35	-2.0	-104.81	343.64	5.87	-98.94
O=C([O-])C12CC(C(=O)[N-]C3=NC=C(CC4=CC=C(F)C=C4)S3)(C1)C2	REAL300003964986	1	37	-2.0	-99.27	345.26	8.76	-90.51
O=C([O-])C1(C(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)CCC1	REAL300003964987	1	36	-2.0	-116.74	329.30	8.20	-108.54
CC(C)(C(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300003964988	1	35	-2.0	-117.53	323.58	8.37	-109.16
O=C([O-])C12CCC(C(=O)[N-]C3=NC=C(CC4=CC=C(F)C=C4)S3)(CC1)C2	REAL300003964990	1	43	-2.0	-103.10	375.89	9.58	-93.52
O=C([O-])C12CCC(C(=O)[N-]C3=NC=C(CC4=CC=C(F)C=C4)S3)(CC1)CC2	REAL300003964991	1	46	-2.0	-95.47	387.39	10.09	-85.38
O=C([O-])C1(C(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)CCCC1	REAL300003964997	1	39	-2.0	-119.08	346.82	8.81	-110.27
O=C([O-])C1=CN(CC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)N=C1	REAL300003965000	1	36	-2.0	-103.35	348.57	7.35	-96.00
O=C([O-])C1(C(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)CC2(CCC2)C1	REAL300003965002	1	43	-2.0	-119.93	373.65	9.91	-110.02
O=C([O-])COCC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300003965006	1	33	-2.0	-109.49	320.76	7.00	-102.49
C[C@@H]1C[C@H](C(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)O[C@H]1C(=O)[O-]	REAL300003965008	1	40	-2.0	-109.73	364.20	8.65	-101.08
CC(C)(CCC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300003965009	1	41	-2.0	-106.61	361.79	8.74	-97.87
O=C([O-])C1=C(COCC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)OC=N1	REAL300003965014	1	39	-2.0	-116.47	374.61	4.89	-111.58
O=C([O-])C1=NN(CC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)C=C1	REAL300003965020	1	36	-2.0	-118.26	347.90	7.37	-110.89
O=C([O-])CC[C@@H]1CC[C@H](C(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)O1	REAL300003965023	1	43	-2.0	-107.34	385.66	9.11	-98.23
O=C([O-])C1(C(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)CC1C1=CC=CC=C1	REAL300003965034	1	43	-2.0	-116.93	385.24	11.27	-105.66
O=C([O-])C1(C(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)CC=CC1	REAL300003965049	1	37	-2.0	-119.31	338.97	8.71	-110.60
COC(C(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300003965055	1	33	-2.0	-117.89	319.07	6.86	-111.03
C[C@]1(C(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)C[C@H]1C(=O)[O-]	REAL300003965056	1	36	-2.0	-128.23	333.75	9.30	-118.93
O=C([O-])C12CC(C(=O)[N-]C3=NC=C(CC4=CC=C(F)C=C4)S3)(C1)OC2	REAL300003965060	1	38	-2.0	-99.47	352.17	6.72	-92.75
CC1CC1(C(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300003965063	1	36	-2.0	-116.29	333.50	8.35	-107.94
O=C([O-])C1(C(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)CC2(CCC2)C1	REAL300003965064	1	43	-2.0	-119.93	373.65	9.91	-110.02
C=C1CCC1(C(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300003965069	1	37	-2.0	-118.38	343.95	8.78	-109.60
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300003965071	1	41	-2.0	-133.69	361.82	7.56	-126.13
CC(C)[C@]1(C(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)C[C@H]1C(=O)[O-]	REAL300003965072	1	42	-2.0	-130.48	371.50	9.25	-121.23
CC1=CC(C(=O)[O-])=CC=C1CC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300003965073	1	42	-2.0	-101.55	383.19	10.34	-91.21
O=C([O-])C1=CSC(CC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)=C1	REAL300003965074	1	36	-2.0	-104.45	358.04	9.01	-95.44
O=C([O-])C1=CC=C(CC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)C=C1F	REAL300003965075	1	39	-2.0	-101.47	371.04	9.90	-91.57
O=C([O-])C12CCC(C(=O)[N-]C3=NC=C(CC4=CC=C(F)C=C4)S3)(CC1)CC2	REAL300003965077	1	46	-2.0	-95.47	387.39	10.09	-85.38
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)CC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300003965087	1	42	-2.0	-113.01	380.42	10.18	-102.83
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)C2(C(=O)[O-])CC2)=N1	REAL300003965088	1	36	-2.0	-123.01	333.68	8.24	-114.77
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)C2(C(=O)[O-])CC2)=N1	REAL300003965089	1	36	-2.0	-123.01	333.68	8.24	-114.77
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)CC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300003965098	1	42	-2.0	-104.92	380.42	10.19	-94.73
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)CN2C=C(C(=O)[O-])N=N2)=N1	REAL300003965099	1	38	-2.0	-108.56	361.47	6.32	-102.24
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)C23CC(C(=O)[O-])(C2)C3)=N1	REAL300003965107	1	40	-2.0	-104.37	362.86	9.23	-95.14
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)C2(C(=O)[O-])CCC2)=N1	REAL300003965108	1	39	-2.0	-123.98	347.13	8.65	-115.33
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)C(C)(C)C(=O)[O-])=N1	REAL300003965109	1	38	-2.0	-122.47	337.50	8.68	-113.79
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)C23CCC(C(=O)[O-])(CC2)C3)=N1	REAL300003965111	1	46	-2.0	-107.14	393.43	10.02	-97.12
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)C2(C(=O)[O-])CCCC2)=N1	REAL300003965116	1	42	-2.0	-126.24	364.61	9.27	-116.97
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)CN2C=C(C(=O)[O-])C=N2)=N1	REAL300003965119	1	39	-2.0	-107.44	362.46	7.66	-99.78
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)C2(C(=O)[O-])CC3(CCC3)C2)=N1	REAL300003965121	1	46	-2.0	-127.27	391.44	10.37	-116.90
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)COCC(=O)[O-])=N1	REAL300003965124	1	36	-2.0	-113.81	338.59	7.45	-106.36
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)=N1	REAL300003965126	1	43	-2.0	-114.41	381.96	9.10	-105.31
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)C(C)(C)CCC(=O)[O-])=N1	REAL300003965127	1	44	-2.0	-111.05	375.71	9.05	-102.00
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)CN2C=CC(C(=O)[O-])=N2)=N1	REAL300003965137	1	39	-2.0	-121.70	361.82	7.68	-114.02
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)=N1	REAL300003965139	1	46	-2.0	-111.44	399.55	9.41	-102.03
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)C2(C(=O)[O-])CC=CC2)=N1	REAL300003965161	1	40	-2.0	-126.51	358.13	9.02	-117.49
COC(C(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2F)S1	REAL300003965166	1	36	-2.0	-124.65	333.00	7.17	-117.48
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)[C@@]2(C)C[C@H]2C(=O)[O-])=N1	REAL300003965167	1	39	-2.0	-133.97	344.05	8.81	-125.16
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)C23CC(C(=O)[O-])(C2)CO3)=N1	REAL300003965170	1	41	-2.0	-104.57	366.15	7.03	-97.54
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)C2(C(=O)[O-])CC2C)=N1	REAL300003965173	1	39	-2.0	-123.27	345.43	8.89	-114.38
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)C2(C(=O)[O-])CC3(CCC3)C2)=N1	REAL300003965174	1	46	-2.0	-127.27	391.44	10.37	-116.90
C=C1CCC1(C(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2F)S1	REAL300003965179	1	40	-2.0	-126.08	358.04	9.08	-117.00
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])=N1	REAL300003965181	1	44	-2.0	-139.01	370.68	7.90	-131.11
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)[C@@]2(C(C)C)C[C@H]2C(=O)[O-])=N1	REAL300003965182	1	45	-2.0	-134.54	380.15	9.67	-124.87
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)CC2=CC=C(C(=O)[O-])C=C2C)=N1	REAL300003965183	1	45	-2.0	-105.69	401.04	10.79	-94.90
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)CC2=CC(C(=O)[O-])=CS2)=N1	REAL300003965184	1	39	-2.0	-108.78	375.87	9.46	-99.32
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)=N1	REAL300003965185	1	42	-2.0	-130.58	366.33	9.18	-121.40
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)CC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300003965196	1	45	-2.0	-111.16	399.06	10.92	-100.24
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)C2(C(=O)[O-])CC2)=N1	REAL300003965197	1	39	-2.0	-119.79	345.01	8.71	-111.08
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)C2(C(=O)[O-])CC2)=N1	REAL300003965198	1	39	-2.0	-119.79	345.01	8.71	-111.08
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)CC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300003965207	1	45	-2.0	-103.32	399.06	10.93	-92.39
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)CN2C=C(C(=O)[O-])N=N2)=N1	REAL300003965208	1	41	-2.0	-107.14	372.86	6.80	-100.34
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)C23CC(C(=O)[O-])(C2)C3)=N1	REAL300003965216	1	43	-2.0	-101.97	374.50	9.68	-92.29
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)C2(C(=O)[O-])CCC2)=N1	REAL300003965217	1	42	-2.0	-120.75	358.49	9.13	-111.62
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)C(C)(C)C(=O)[O-])=N1	REAL300003965218	1	41	-2.0	-120.73	352.82	9.30	-111.43
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)C23CCC(C(=O)[O-])(CC2)C3)=N1	REAL300003965220	1	49	-2.0	-105.31	408.20	10.62	-94.69
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)C23CCC(C(=O)[O-])(CC2)CC3)=N1	REAL300003965221	1	52	-2.0	-98.32	416.62	11.02	-87.30
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)C2(C(=O)[O-])CCCC2)=N1	REAL300003965226	1	45	-2.0	-122.99	376.06	9.74	-113.25
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)CN2C=C(C(=O)[O-])C=N2)=N1	REAL300003965229	1	42	-2.0	-105.79	377.79	8.28	-97.51
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)C2(C(=O)[O-])CC3(CCC3)C2)=N1	REAL300003965231	1	49	-2.0	-123.95	402.86	10.84	-113.11
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)COCC(=O)[O-])=N1	REAL300003965235	1	39	-2.0	-112.24	353.32	8.05	-104.19
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)=N1	REAL300003965237	1	46	-2.0	-112.52	396.73	9.71	-102.81
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)C(C)(C)CCC(=O)[O-])=N1	REAL300003965238	1	47	-2.0	-109.38	391.03	9.66	-99.72
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)CN2C=CC(C(=O)[O-])=N2)=N1	REAL300003965248	1	42	-2.0	-120.67	380.48	8.42	-112.25
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)=N1	REAL300003965251	1	49	-2.0	-109.33	414.70	10.00	-99.33
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)C2(C(=O)[O-])CC=CC2)=N1	REAL300003965275	1	43	-2.0	-123.30	369.59	9.49	-113.81
COC(C(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=C(C)C=C2)S1	REAL300003965280	1	39	-2.0	-121.80	348.31	7.78	-114.02
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)[C@@]2(C)C[C@H]2C(=O)[O-])=N1	REAL300003965281	1	42	-2.0	-131.72	367.98	9.67	-122.05
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)C23CC(C(=O)[O-])(C2)CO3)=N1	REAL300003965285	1	44	-2.0	-102.39	381.43	7.65	-94.74
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)C2(C(=O)[O-])CC2C)=N1	REAL300003965288	1	42	-2.0	-120.04	364.07	9.64	-110.40
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)C2(C(=O)[O-])CC3(CCC3)C2)=N1	REAL300003965289	1	49	-2.0	-123.95	402.86	10.84	-113.11
C=C1CCC1(C(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=C(C)C=C2)S1	REAL300003965294	1	43	-2.0	-122.74	373.17	9.70	-113.04
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])=N1	REAL300003965296	1	47	-2.0	-138.10	391.29	8.30	-129.80
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)[C@@]2(C(C)C)C[C@H]2C(=O)[O-])=N1	REAL300003965297	1	48	-2.0	-130.87	405.17	10.50	-120.37
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)CC2=CC=C(C(=O)[O-])C=C2C)=N1	REAL300003965298	1	48	-2.0	-104.05	412.42	11.27	-92.78
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)CC2=CC(C(=O)[O-])=CS2)=N1	REAL300003965299	1	42	-2.0	-107.12	387.26	9.94	-97.18
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)=N1	REAL300003965300	1	45	-2.0	-103.91	403.61	10.95	-92.96
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)C23CCC(C(=O)[O-])(CC2)CC3)=N1	REAL300003965302	1	52	-2.0	-98.32	416.62	11.02	-87.30
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)CC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300003965312	1	42	-2.0	-110.76	384.07	10.31	-100.45
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)C2(C(=O)[O-])CC2)=N1	REAL300003965313	1	36	-2.0	-118.10	330.06	8.11	-109.99
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)C2(C(=O)[O-])CC2)=N1	REAL300003965314	1	36	-2.0	-118.10	330.06	8.11	-109.99
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)CC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300003965323	1	42	-2.0	-103.29	380.66	10.19	-93.10
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)CN2C=C(C(=O)[O-])N=N2)=N1	REAL300003965324	1	38	-2.0	-107.29	357.81	6.19	-101.10
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)C23CC(C(=O)[O-])(C2)C3)=N1	REAL300003965332	1	40	-2.0	-101.26	359.51	9.08	-92.18
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)C2(C(=O)[O-])CCC2)=N1	REAL300003965333	1	39	-2.0	-119.20	343.52	8.52	-110.68
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)C(C)(C)C(=O)[O-])=N1	REAL300003965334	1	38	-2.0	-120.58	341.14	8.82	-111.76
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)C23CCC(C(=O)[O-])(CC2)C3)=N1	REAL300003965336	1	46	-2.0	-105.02	389.88	9.88	-95.14
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)C2(C(=O)[O-])CCCC2)=N1	REAL300003965341	1	42	-2.0	-121.48	360.99	9.13	-112.35
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)CN2C=C(C(=O)[O-])C=N2)=N1	REAL300003965344	1	39	-2.0	-105.81	366.11	7.79	-98.02
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)C2(C(=O)[O-])CC3(CCC3)C2)=N1	REAL300003965346	1	46	-2.0	-122.26	387.82	10.23	-112.03
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)COCC(=O)[O-])=N1	REAL300003965349	1	36	-2.0	-112.14	338.32	7.44	-104.70
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)=N1	REAL300003965351	1	43	-2.0	-112.15	378.40	8.97	-103.18
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)C(C)(C)CCC(=O)[O-])=N1	REAL300003965352	1	44	-2.0	-109.32	379.35	9.18	-100.14
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)CN2C=CC(C(=O)[O-])=N2)=N1	REAL300003965362	1	39	-2.0	-121.12	362.07	7.69	-113.43
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)=N1	REAL300003965364	1	46	-2.0	-109.34	399.71	9.39	-99.95
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)C2(C(=O)[O-])CC=CC2)=N1	REAL300003965386	1	40	-2.0	-121.69	353.19	9.03	-112.66
COC(C(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=CC(F)=C2)S1	REAL300003965391	1	36	-2.0	-120.66	336.63	7.30	-113.36
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)[C@@]2(C)C[C@H]2C(=O)[O-])=N1	REAL300003965392	1	39	-2.0	-130.58	352.99	9.06	-121.52
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)C23CC(C(=O)[O-])(C2)CO3)=N1	REAL300003965395	1	41	-2.0	-101.91	369.81	7.17	-94.74
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)C2(C(=O)[O-])CC2C)=N1	REAL300003965398	1	39	-2.0	-118.16	349.07	9.03	-109.13
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)C2(C(=O)[O-])CC3(CCC3)C2)=N1	REAL300003965399	1	46	-2.0	-122.26	387.82	10.23	-112.03
C=C1CCC1(C(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=CC(F)=C2)S1	REAL300003965404	1	40	-2.0	-121.31	361.69	9.21	-112.10
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])=N1	REAL300003965406	1	44	-2.0	-137.53	376.35	7.86	-129.67
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)[C@@]2(C(C)C)C[C@H]2C(=O)[O-])=N1	REAL300003965407	1	45	-2.0	-132.19	385.64	9.49	-122.70
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)CC2=CC=C(C(=O)[O-])C=C2C)=N1	REAL300003965408	1	45	-2.0	-104.03	397.38	10.66	-93.37
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)CC2=CC(C(=O)[O-])=CS2)=N1	REAL300003965409	1	39	-2.0	-106.92	372.21	9.33	-97.59
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)C2(C(=O)[O-])CC2)=N1	REAL300003965417	1	36	-2.0	-117.65	340.38	8.55	-109.10
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)C2(C(=O)[O-])CC2)=N1	REAL300003965418	1	36	-2.0	-117.65	340.38	8.55	-109.10
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)CN2C=C(C(=O)[O-])N=N2)=N1	REAL300003965426	1	38	-2.0	-106.54	368.13	6.63	-99.91
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)C23CC(C(=O)[O-])(C2)C3)=N1	REAL300003965431	1	40	-2.0	-100.80	369.83	9.52	-91.28
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)C2(C(=O)[O-])CCC2)=N1	REAL300003965432	1	39	-2.0	-118.70	353.84	8.96	-109.74
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)C(C)(C)C(=O)[O-])=N1	REAL300003965433	1	38	-2.0	-119.95	351.46	9.26	-110.69
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)C2(C(=O)[O-])CCCC2)=N1	REAL300003965438	1	42	-2.0	-121.04	371.30	9.57	-111.47
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)CN2C=C(C(=O)[O-])C=N2)=N1	REAL300003965441	1	39	-2.0	-105.18	376.43	8.24	-96.94
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)COCC(=O)[O-])=N1	REAL300003965444	1	36	-2.0	-111.55	348.65	7.89	-103.66
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)=N1	REAL300003965446	1	43	-2.0	-111.64	388.72	9.41	-102.23
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)C(C)(C)CCC(=O)[O-])=N1	REAL300003965447	1	44	-2.0	-108.68	389.67	9.62	-99.06
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)CN2C=CC(C(=O)[O-])=N2)=N1	REAL300003965450	1	39	-2.0	-120.37	372.39	8.13	-112.24
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)C2(C(=O)[O-])CC=CC2)=N1	REAL300003965467	1	40	-2.0	-121.26	363.51	9.47	-111.79
COC(C(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=CC(Cl)=C2)S1	REAL300003965471	1	36	-2.0	-120.35	346.96	7.74	-112.61
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)[C@@]2(C)C[C@H]2C(=O)[O-])=N1	REAL300003965472	1	39	-2.0	-130.25	363.31	9.50	-120.75
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)C23CC(C(=O)[O-])(C2)CO3)=N1	REAL300003965473	1	41	-2.0	-101.41	380.13	7.61	-93.80
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)C2(C(=O)[O-])CC2C)=N1	REAL300003965475	1	39	-2.0	-117.88	359.40	9.47	-108.41
C=C1CCC1(C(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=CC(Cl)=C2)S1	REAL300003965477	1	40	-2.0	-120.97	372.01	9.66	-111.31
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)[C@@]2(C(C)C)C[C@H]2C(=O)[O-])=N1	REAL300003965479	1	45	-2.0	-131.65	395.97	9.93	-121.72
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)CC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300003965490	1	42	-2.0	-109.70	384.06	10.31	-99.39
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)C2(C(=O)[O-])CC2)=N1	REAL300003965491	1	36	-2.0	-118.08	330.01	8.10	-109.98
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)C2(C(=O)[O-])CC2)=N1	REAL300003965492	1	36	-2.0	-118.08	330.01	8.10	-109.98
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)CC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300003965501	1	42	-2.0	-102.22	384.06	10.32	-91.90
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)CN2C=C(C(=O)[O-])N=N2)=N1	REAL300003965502	1	38	-2.0	-106.09	357.86	6.19	-99.90
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)C23CC(C(=O)[O-])(C2)C3)=N1	REAL300003965510	1	40	-2.0	-100.81	359.45	9.07	-91.74
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)C2(C(=O)[O-])CCC2)=N1	REAL300003965511	1	39	-2.0	-119.09	343.46	8.52	-110.57
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)C(C)(C)C(=O)[O-])=N1	REAL300003965512	1	38	-2.0	-119.66	337.95	8.66	-111.00
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)C23CCC(C(=O)[O-])(CC2)C3)=N1	REAL300003965514	1	46	-2.0	-104.19	393.20	10.01	-94.18
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)C2(C(=O)[O-])CCCC2)=N1	REAL300003965519	1	42	-2.0	-121.35	361.06	9.13	-112.22
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)CN2C=C(C(=O)[O-])C=N2)=N1	REAL300003965522	1	39	-2.0	-104.61	362.78	7.67	-96.94
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)C2(C(=O)[O-])CC3(CCC3)C2)=N1	REAL300003965524	1	46	-2.0	-122.22	387.86	10.23	-111.99
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)COCC(=O)[O-])=N1	REAL300003965527	1	36	-2.0	-111.01	335.00	7.32	-103.69
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)=N1	REAL300003965529	1	43	-2.0	-111.44	381.72	9.10	-102.34
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)C(C)(C)CCC(=O)[O-])=N1	REAL300003965530	1	44	-2.0	-108.14	376.03	9.06	-99.08
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)CN2C=CC(C(=O)[O-])=N2)=N1	REAL300003965540	1	39	-2.0	-119.59	362.12	7.69	-111.90
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)=N1	REAL300003965542	1	46	-2.0	-108.19	399.70	9.39	-98.80
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)C2(C(=O)[O-])CC=CC2)=N1	REAL300003965564	1	40	-2.0	-121.59	353.19	9.03	-112.56
COC(C(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2)S1	REAL300003965569	1	36	-2.0	-120.11	333.31	7.18	-112.93
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)[C@@]2(C)C[C@H]2C(=O)[O-])=N1	REAL300003965570	1	39	-2.0	-130.14	352.99	9.06	-121.08
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)C23CC(C(=O)[O-])(C2)CO3)=N1	REAL300003965573	1	41	-2.0	-101.24	366.40	7.04	-94.20
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)C2(C(=O)[O-])CC2C)=N1	REAL300003965576	1	39	-2.0	-116.99	345.06	9.02	-107.97
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)C2(C(=O)[O-])CC3(CCC3)C2)=N1	REAL300003965577	1	46	-2.0	-122.22	387.86	10.23	-111.99
C=C1CCC1(C(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2)S1	REAL300003965582	1	40	-2.0	-121.36	361.69	9.21	-112.15
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])=N1	REAL300003965584	1	44	-2.0	-136.16	379.78	7.79	-128.37
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)[C@@]2(C(C)C)C[C@H]2C(=O)[O-])=N1	REAL300003965585	1	45	-2.0	-131.03	380.86	10.83	-120.20
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)CC2=CC=C(C(=O)[O-])C=C2C)=N1	REAL300003965586	1	45	-2.0	-102.90	397.42	10.66	-92.24
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)CC2=CC(C(=O)[O-])=CS2)=N1	REAL300003965587	1	39	-2.0	-105.73	372.25	9.33	-96.40
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)C2(C(=O)[O-])CC2)=N1	REAL300003965595	1	36	-2.0	-121.65	339.23	8.53	-113.12
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)C2(C(=O)[O-])CC2)=N1	REAL300003965596	1	36	-2.0	-121.65	339.23	8.53	-113.12
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)CN2C=C(C(=O)[O-])N=N2)=N1	REAL300003965604	1	38	-2.0	-107.69	367.00	6.61	-101.08
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)C23CC(C(=O)[O-])(C2)C3)=N1	REAL300003965609	1	40	-2.0	-103.54	369.02	9.52	-94.02
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)C2(C(=O)[O-])CCC2)=N1	REAL300003965610	1	39	-2.0	-122.60	352.58	8.94	-113.66
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)C(C)(C)C(=O)[O-])=N1	REAL300003965611	1	38	-2.0	-122.06	347.06	9.08	-112.98
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)C2(C(=O)[O-])CCCC2)=N1	REAL300003965616	1	42	-2.0	-125.03	370.78	9.56	-115.47
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)CN2C=C(C(=O)[O-])C=N2)=N1	REAL300003965619	1	39	-2.0	-106.78	368.66	7.95	-98.83
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)COCC(=O)[O-])=N1	REAL300003965622	1	36	-2.0	-113.09	344.14	7.74	-105.35
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)=N1	REAL300003965624	1	43	-2.0	-113.72	388.02	9.40	-104.32
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)C(C)(C)CCC(=O)[O-])=N1	REAL300003965625	1	44	-2.0	-110.40	381.91	9.34	-101.06
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)CN2C=CC(C(=O)[O-])=N2)=N1	REAL300003965628	1	39	-2.0	-121.14	368.02	7.97	-113.17
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)C2(C(=O)[O-])CC=CC2)=N1	REAL300003965645	1	40	-2.0	-125.32	364.29	9.31	-116.01
COC(C(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2Cl)S1	REAL300003965649	1	36	-2.0	-123.74	339.18	7.46	-116.28
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)[C@@]2(C)C[C@H]2C(=O)[O-])=N1	REAL300003965650	1	39	-2.0	-132.71	357.19	9.05	-123.66
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)C23CC(C(=O)[O-])(C2)CO3)=N1	REAL300003965651	1	41	-2.0	-103.85	372.35	7.33	-96.52
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)C2(C(=O)[O-])CC2C)=N1	REAL300003965653	1	39	-2.0	-121.99	351.63	9.19	-112.80
C=C1CCC1(C(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2Cl)S1	REAL300003965655	1	40	-2.0	-124.87	364.24	9.37	-115.50
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)[C@@]2(C(C)C)C[C@H]2C(=O)[O-])=N1	REAL300003965657	1	45	-2.0	-132.96	386.41	10.93	-122.03
CC1=C(CC2=CC=CC(Br)=C2)SC([N-]C(=O)C2(C(=O)[O-])CC2)=N1	REAL300003965659	1	36	-2.0	-117.53	344.95	8.64	-108.89
CC1=C(CC2=CC=CC(Br)=C2)SC([N-]C(=O)C2(C(=O)[O-])CC2)=N1	REAL300003965660	1	36	-2.0	-117.53	344.95	8.64	-108.89
CC1=C(CC2=CC=CC(Br)=C2)SC([N-]C(=O)C(C)(C)C(=O)[O-])=N1	REAL300003965661	1	38	-2.0	-119.84	356.03	9.36	-110.48
CC1=C(CC2=CC=CC(Br)=C2)SC([N-]C(=O)COCC(=O)[O-])=N1	REAL300003965663	1	36	-2.0	-111.45	353.21	7.99	-103.46
COC(C(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=CC(Br)=C2)S1	REAL300003965667	1	36	-2.0	-120.25	351.52	7.85	-112.40
CCC1=C(C)SC([N-]C(=O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=N1	REAL300003965767	1	40	-2.0	-92.88	370.93	2.52	-90.36
CCC1=C(C)SC([N-]C(=O)C23CCC(C(=O)[O-])(CC2)C3)=N1	REAL300003965783	1	39	-2.0	-98.94	326.01	6.50	-92.44
CCC1=C(C)SC([N-]C(=O)C23CCC(C(=O)[O-])(CC2)CC3)=N1	REAL300003965784	1	42	-2.0	-93.74	339.20	7.08	-86.66
CCC1=C(C)SC([N-]C(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)=N1	REAL300003965791	1	41	-2.0	-108.69	361.94	6.77	-101.92
CCC1=C(C)SC([N-]C(=O)COCC2=C(C(=O)[O-])N=CO2)=N1	REAL300003965796	1	35	-2.0	-113.10	324.97	1.76	-111.34
CCC1=C(C)SC([N-]C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)=N1	REAL300003965801	1	39	-2.0	-103.53	336.48	6.01	-97.52
CCC1=C(C)SC([N-]C(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)=N1	REAL300003965807	1	39	-2.0	-108.29	350.66	8.29	-100.00
CCC1=C(C)SC([N-]C(=O)C23CCC(C(=O)[O-])(CC2)CC3)=N1	REAL300003965835	1	42	-2.0	-93.74	339.20	7.08	-86.66
CCC1CCC2=C(C1)SC([N-]C(=O)CN1C=C(C(=O)[O-])N=N1)=N2	REAL300003965861	1	38	-2.0	-107.40	337.24	5.05	-102.35
CCC1CCC2=C(C1)SC([N-]C(=O)C13CC(C(=O)[O-])(C1)C3)=N2	REAL300003965869	1	40	-2.0	-101.98	338.83	7.94	-94.04
CCC1CCC2=C(C1)SC([N-]C(=O)C13CCC(C(=O)[O-])(CC1)C3)=N2	REAL300003965872	1	46	-2.0	-105.47	369.24	8.74	-96.73
CCC1CCC2=C(C1)SC([N-]C(=O)C13CCC(C(=O)[O-])(CC1)CC3)=N2	REAL300003965873	1	49	-2.0	-98.33	380.98	9.26	-89.07
CCC1CCC2=C(C1)SC([N-]C(=O)CN1C=C(C(=O)[O-])C=N1)=N2	REAL300003965883	1	39	-2.0	-106.03	342.14	6.53	-99.50
CCC1CCC2=C(C1)SC([N-]C(=O)C1CC(C(=O)[O-])=NN1C1=CC=CC=C1)=N2	REAL300003965887	1	48	-2.0	-114.51	403.50	8.95	-105.56
CCC1CCC2=C(C1)SC([N-]C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)=N2	REAL300003965891	1	43	-2.0	-112.80	357.66	7.83	-104.97
CCC1CCC2=C(C1)SC([N-]C(=O)C(C)(C)CCC(=O)[O-])=N2	REAL300003965892	1	44	-2.0	-109.72	355.38	7.91	-101.81
CCC1CCC2=C(C1)SC([N-]C(=O)COCC1=C(C(=O)[O-])N=CO1)=N2	REAL300003965897	1	42	-2.0	-119.70	368.19	4.06	-115.64
CCC1CCC2=C(C1)SC([N-]C(=O)CN1C=CC(C(=O)[O-])=N1)=N2	REAL300003965903	1	39	-2.0	-121.14	341.50	6.55	-114.59
CCC1CCC2=C(C1)SC([N-]C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)=N2	REAL300003965906	1	46	-2.0	-110.26	379.26	8.27	-101.99
CCC1CCC2=C(C1)SC([N-]C(=O)C1(C(=O)[O-])CC1C1=CC=CC=C1)=N2	REAL300003965914	1	46	-2.0	-121.24	378.84	10.44	-110.80
CCC1CCC2=C(C1)SC([N-]C(=O)CN1C=C(C(=O)[O-])C3=CC=CC=C31)=N2	REAL300003965916	1	46	-2.0	-114.48	393.44	10.50	-103.98
CCC1CCC2=C(C1)SC([N-]C(=O)C1(C(=O)[O-])CC=CC1)=N2	REAL300003965931	1	40	-2.0	-123.63	333.94	7.74	-115.89
CCC1CCC2=C(C1)SC([N-]C(=O)[C@@]1(C)C[C@H]1C(=O)[O-])=N2	REAL300003965937	1	39	-2.0	-132.68	329.00	7.79	-124.89
CCC1CCC2=C(C1)SC([N-]C(=O)C13CC(C(=O)[O-])(C1)CO3)=N2	REAL300003965944	1	41	-2.0	-102.49	345.83	5.90	-96.59
CCC1CCC2=C(C1)SC([N-]C(=O)C1(C(=O)[O-])CC1C)=N2	REAL300003965946	1	39	-2.0	-120.26	325.11	7.76	-112.50
C=C1CCC1(C(=O)[O-])C(=O)[N-]C1=NC2=C(CC(CC)CC2)S1	REAL300003965954	1	40	-2.0	-123.27	337.72	7.95	-115.32
CCC1CCC2=C(C1)SC([N-]C(=O)[C@@H]1[C@H]3CC[C@H](O3)[C@@H]1C(=O)[O-])=N2	REAL300003965956	1	44	-2.0	-139.06	355.73	6.56	-132.50
CCC1CCC2=C(C1)SC([N-]C(=O)[C@@]1(C(C)C)C[C@H]1C(=O)[O-])=N2	REAL300003965958	1	45	-2.0	-133.61	366.08	8.41	-125.20
CCC1CCC2=C(C1)SC([N-]C(=O)C13CCC(C(=O)[O-])(CC1)CC3)=N2	REAL300003965964	1	49	-2.0	-98.33	380.98	9.26	-89.07
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC3=CC=C(C(=O)[O-])N=C3C2)=C1	REAL300003968443	0	44	-2.0	-109.40	377.82	4.93	-104.47
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC2=CC=C(C(=O)[O-])N=C2C1	REAL300003968715	0	44	-2.0	-109.89	378.18	5.18	-104.71
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC3=CC=C(C(=O)[O-])N=C3C2)O1	REAL300003969136	1	38	-2.0	-116.05	344.77	1.51	-114.54
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC2=CC=C(C(=O)[O-])N=C2C1	REAL300003969375	0	41	-2.0	-108.59	356.86	4.28	-104.31
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC3=CC=C(C(=O)[O-])N=C3C2)=CS1	REAL300003969710	1	45	-2.0	-102.82	389.29	5.85	-96.97
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCC2=CC=C(C(=O)[O-])N=C2C1	REAL300003969928	0	41	-2.0	-104.62	363.13	4.34	-100.28
CC1=C(C(=O)N2CCC3=CC=C(C(=O)[O-])N=C3C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300003970015	1	47	-2.0	-116.84	389.74	5.68	-111.16
O=C([O-])C1=CC=C2CCN(C(=O)C3=CC=C([O-])C(F)=C3)CC2=N1	REAL300003971084	1	34	-2.0	-106.61	299.37	5.30	-101.31
O=C([O-])C1=CC=C2CCN(C(=O)C3=CC=C(C(F)(F)F)C=C3[O-])CC2=N1	REAL300003971097	1	37	-2.0	-106.75	332.00	7.31	-99.44
O=C([O-])C1=CC=C2CCN(C(=O)CCC3=N[N-]N=N3)CC2=N1	REAL300003971137	0	34	-2.0	-100.26	298.35	3.76	-96.50
O=C([O-])C1=CC=C2CCN(C(=O)CCC3=NN=N[N-]3)CC2=N1	REAL300003971137	1	34	-2.0	-100.29	298.40	3.78	-96.51
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC3=CC=C(C(=O)[O-])N=C3C2)C=N1	REAL300003971227	0	40	-2.0	-113.37	354.43	3.29	-110.08
O=C([O-])C1=CC=C2CCN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)CC2=N1	REAL300003971263	1	39	-2.0	-113.00	332.33	4.72	-108.28
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC3=CC=C(C(=O)[O-])N=C3C2)=N1	REAL300003971418	0	44	-2.0	-114.40	381.59	8.17	-106.23
O=C([O-])C1=CC=C2CCN(C(=O)C3=NN(C4=CC=CC(F)=C4)C=C3[O-])CC2=N1	REAL300003971423	0	41	-2.0	-112.98	359.09	7.21	-105.77
O=C([O-])C1=CC=C2CCN(C(=O)C3=C([O-])C4=CC=CC=C4C=N3)CC2=N1	REAL300003971468	1	39	-2.0	-114.18	332.10	8.32	-105.86
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC4=CC=C(C(=O)[O-])N=C4C3)=N2)=C1	REAL300003971637	0	44	-2.0	-120.42	377.45	7.79	-112.63
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC3=CC=C(C(=O)[O-])N=C3C2)=N1	REAL300003971638	0	47	-2.0	-121.70	398.13	8.36	-113.34
O=C([O-])C1=CC=C2CCN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)CC2=N1	REAL300003971775	0	34	-2.0	-103.68	315.30	5.83	-97.85
COC1=C(C(=O)N2CCC3=CC=C(C(=O)[O-])N=C3C2)NC(=O)[N-]C1=O	REAL300003971792	1	37	-2.0	-109.43	329.32	-0.14	-109.57
O=C([O-])C1=CC=C2CCN(C(=O)CCCC3=N[N-]N=N3)CC2=N1	REAL300003971895	0	37	-2.0	-98.86	319.84	4.55	-94.31
O=C([O-])C1=CC=C2CCN(C(=O)CCCC3=NN=N[N-]3)CC2=N1	REAL300003971895	1	37	-2.0	-98.81	319.90	4.56	-94.25
O=C([O-])C1=CC=C2CCN(C(=O)C3=CC=C([O-])C(Cl)=C3)CC2=N1	REAL300003971934	0	34	-2.0	-103.09	308.86	5.76	-97.33
CCOC1=CC(C(=O)N2CCC3=CC=C(C(=O)[O-])N=C3C2)=CC(Cl)=C1[O-]	REAL300003971938	1	41	-2.0	-108.75	360.24	6.80	-101.95
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC4=CC=C(C(=O)[O-])N=C4C3)=N2)C=C1	REAL300003971947	0	45	-2.0	-118.31	382.16	6.44	-111.87
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC3=CC=C(C(=O)[O-])N=C3C2)=CO1	REAL300003971971	1	38	-2.0	-102.91	342.91	1.15	-101.76
O=C([O-])C1=CC=C2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2=N1	REAL300003972140	0	37	-2.0	-100.81	327.28	4.83	-95.98
O=C([O-])C1=CC=C2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2=N1	REAL300003972140	1	37	-2.0	-100.74	327.34	4.83	-95.91
O=C([O-])C1=CC=C2CCN(C(=O)C3=C[N-]N=CC3=O)CC2=N1	REAL300003972441	0	32	-2.0	-103.19	288.33	3.81	-99.38
COCC1=NC=C(C(=O)N2CCC3=CC=C(C(=O)[O-])N=C3C2)C(=O)[N-]1	REAL300003972477	1	39	-2.0	-112.70	342.34	2.39	-110.31
O=C([O-])C1=CC=C2CCN(C(=O)C3=CN=C(C4CCC4)[N-]C3=O)CC2=N1	REAL300003972526	1	42	-2.0	-112.60	348.19	5.27	-107.33
O=C([O-])C1=CC=C2CCN(C(=O)C3=CC(Cl)=CC(Cl)=C3[O-])CC2=N1	REAL300003972853	0	34	-2.0	-103.65	325.97	7.37	-96.28
CC1=C(CCC(=O)N[C@H](C(=O)[O-])[C@@H](C)O)C(=O)[N-]C(N2CCOCC2)=N1	REAL300003973707	1	48	-2.0	-115.81	389.51	2.52	-113.29
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)=C1	REAL300003974028	0	38	-2.0	-116.06	332.18	0.32	-115.74
C[C@@H](O)[C@H](NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1)C(=O)[O-]	REAL300003974280	1	42	-2.0	-109.36	377.84	2.62	-106.74
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@H](C(=O)[O-])[C@@H](C)O	REAL300003974321	0	38	-2.0	-117.48	331.77	0.56	-116.92
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N[C@H](C(=O)[O-])[C@@H](C)O)C=C1	REAL300003974362	1	40	-2.0	-129.19	354.14	5.48	-123.71
C[C@@H](O)[C@H](NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300003974411	1	42	-2.0	-104.02	377.74	2.61	-101.41
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)C=C1	REAL300003974413	1	45	-2.0	-101.11	391.41	3.29	-97.82
C[C@@H](O)[C@H](NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300003974531	1	42	-2.0	-110.96	372.72	2.36	-108.60
C[C@@H](O)[C@H](NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300003974532	1	42	-2.0	-113.02	371.38	2.58	-110.44
CC1=CC(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300003974545	0	38	-2.0	-95.44	354.51	0.56	-94.88
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)C=C2)C=C1	REAL300003974673	1	45	-2.0	-101.67	392.93	3.20	-98.47
C[C@@H](O)[C@H](NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300003974757	0	39	-2.0	-109.07	364.66	1.36	-107.71
C[C@@H](O)[C@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300003974774	1	41	-2.0	-96.97	356.85	-1.12	-98.09
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)O1	REAL300003974775	1	32	-2.0	-100.60	304.62	-3.85	-104.45
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)=C2)C=C1	REAL300003974892	1	45	-2.0	-118.17	394.82	2.98	-115.19
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)=C2)=C1	REAL300003974932	1	45	-2.0	-117.09	392.81	3.23	-113.86
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)=C1	REAL300003975003	0	42	-2.0	-120.43	367.18	-1.47	-121.90
C[C@@H](O)[C@H](NC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300003975052	0	35	-2.0	-115.45	310.79	-0.35	-115.80
C[C@@H](O)[C@H](NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C(=O)[O-]	REAL300003975059	0	39	-2.0	-113.75	365.20	1.36	-112.39
C[C@@H](O)[C@H](NC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300003975060	0	42	-2.0	-119.93	388.11	2.21	-117.72
CC(C)C(=O)[N-]C1=NC(CC(=O)N[C@H](C(=O)[O-])[C@@H](C)O)=CS1	REAL300003975378	1	39	-2.0	-111.73	344.98	0.75	-110.98
C[C@@H](O)[C@H](NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300003975559	0	35	-2.0	-108.13	316.73	-0.27	-108.40
CC1=C(CC(=O)N[C@H](C(=O)[O-])[C@@H](C)O)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300003975567	1	41	-2.0	-115.42	354.92	0.89	-114.53
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@H](C(=O)[O-])[C@@H](C)O	REAL300003975572	0	41	-2.0	-117.76	353.76	1.33	-116.43
CC1=C(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)C(=O)[N-]C(C(C)(C)C)=N1	REAL300003975625	1	41	-2.0	-116.08	336.69	0.94	-115.14
C[C@@H](O)[C@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300003975730	1	42	-2.0	-103.77	373.38	2.32	-101.45
C[C@@H](O)[C@H](NC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300003976170	0	41	-2.0	-120.62	356.68	1.91	-118.71
C[C@@H](O)[C@H](NC(=O)C1=CC(Br)=C([O-])C(Br)=C1)C(=O)[O-]	REAL300003976254	0	28	-2.0	-94.92	290.69	1.87	-93.05
C[C@@H](O)[C@H](NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300003976307	1	31	-2.0	-121.07	288.32	2.91	-118.16
C[C@@H](O)[C@H](NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300003976384	0	34	-2.0	-103.86	311.35	-1.31	-105.17
C[C@@H](O)[C@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300003976440	1	41	-2.0	-97.16	366.57	0.75	-96.41
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)=N2)=C1	REAL300003976455	0	44	-2.0	-136.59	373.18	3.54	-133.05
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)=N2)C=C1	REAL300003976456	0	44	-2.0	-129.92	371.23	3.76	-126.16
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)=N1	REAL300003976514	0	38	-2.0	-131.01	340.80	2.61	-128.40
C[C@@H](O)[C@H](NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300003976517	0	35	-2.0	-132.19	319.33	1.69	-130.50
C[C@@H](O)[C@H](NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300003976545	0	35	-2.0	-96.95	333.06	-0.03	-96.98
C[C@@H](O)[C@H](NC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300003976577	0	27	-2.0	-100.14	272.17	-0.27	-100.41
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)=N2)=C1	REAL300003976617	0	38	-2.0	-134.51	335.79	2.49	-132.02
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)=N1	REAL300003976618	0	41	-2.0	-138.18	354.29	3.31	-134.87
CC1=C(CC(=O)N[C@H](C(=O)[O-])[C@@H](C)O)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300003976644	1	41	-2.0	-113.17	354.61	0.90	-112.27
CCOC1=CC(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)=CC(Cl)=C1[O-]	REAL300003976719	1	35	-2.0	-102.50	316.96	2.13	-100.37
C[C@@H](O)[C@H](NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300003976723	0	38	-2.0	-134.76	340.94	3.28	-131.48
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)=N2)C=C1	REAL300003976729	0	39	-2.0	-129.37	340.66	1.10	-128.27
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)=CO1	REAL300003976744	1	32	-2.0	-105.74	303.76	-3.87	-109.61
C[C@@H](O)[C@H](NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300003977223	0	28	-2.0	-113.77	280.51	3.16	-110.61
CC1=C(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300003977404	0	36	-2.0	-111.35	315.05	0.22	-111.13
COC[C@H](NC(=O)CCC1=C(C)N=C(N2CCOCC2)NC1=O)C(=O)[O-]	REAL300003977740	0	48	-2.0	-116.93	395.13	3.63	-113.30
COC[C@H](NC(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O)C(=O)[O-]	REAL300003977740	1	48	-2.0	-116.93	395.13	3.63	-113.30
COC[C@H](NC(=O)C1=CC(C)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300003978061	0	38	-2.0	-117.68	337.15	1.52	-116.16
COC[C@H](NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1)C(=O)[O-]	REAL300003978313	1	42	-2.0	-109.12	383.07	3.73	-105.39
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@@H](COC)C(=O)[O-]	REAL300003978354	0	38	-2.0	-118.56	336.87	1.71	-116.85
COC[C@H](NC(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1)C(=O)[O-]	REAL300003978395	1	40	-2.0	-129.62	359.72	6.60	-123.02
COC[C@H](NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300003978444	1	42	-2.0	-102.71	382.84	3.76	-98.95
COC[C@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C)C=C1)C(=O)[O-]	REAL300003978446	1	45	-2.0	-102.03	396.54	4.44	-97.59
COC[C@H](NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300003978564	1	42	-2.0	-109.25	376.44	3.69	-105.56
COC[C@H](NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300003978565	1	42	-2.0	-113.92	376.12	3.69	-110.23
COC[C@H](NC(=O)C1=CC=C([N-]S(=O)(=O)C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300003978578	0	38	-2.0	-93.61	357.39	1.88	-91.73
COC[C@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2)C=C1)C(=O)[O-]	REAL300003978706	1	45	-2.0	-102.94	397.89	4.40	-98.54
COC[C@H](NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300003978790	0	39	-2.0	-107.39	368.37	2.69	-104.70
COC[C@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300003978807	1	41	-2.0	-100.05	361.95	0.02	-100.03
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@@H](COC)C(=O)[O-])O1	REAL300003978808	1	32	-2.0	-99.20	308.33	-2.52	-101.72
COC[C@H](NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2)=C1)C(=O)[O-]	REAL300003978925	1	45	-2.0	-116.37	398.05	4.33	-112.04
COC[C@H](NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2)=C1)C(=O)[O-]	REAL300003978965	1	45	-2.0	-117.01	397.91	4.38	-112.63
COC[C@H](NC(=O)C1=CC(NC(C)=O)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300003979036	0	42	-2.0	-123.41	371.99	-0.30	-123.71
COC[C@H](NC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300003979085	0	35	-2.0	-116.74	315.89	0.80	-115.94
COC[C@H](NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C(=O)[O-]	REAL300003979092	0	39	-2.0	-112.02	368.43	2.73	-109.29
COC[C@H](NC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300003979093	0	42	-2.0	-120.27	392.73	3.36	-116.91
COC[C@H](NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1)C(=O)[O-]	REAL300003979411	1	39	-2.0	-112.22	350.08	1.89	-110.33
COC[C@H](NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300003979592	0	35	-2.0	-109.52	322.17	0.91	-108.61
COC[C@H](NC(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O)C(=O)[O-]	REAL300003979600	1	41	-2.0	-116.40	359.89	2.08	-114.32
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@@H](COC)C(=O)[O-]	REAL300003979605	0	41	-2.0	-119.15	358.37	2.49	-116.66
COC[C@H](NC(=O)C1=C(C)N=C(C(C)(C)C)[N-]C1=O)C(=O)[O-]	REAL300003979658	1	41	-2.0	-114.25	340.29	2.29	-111.96
COC[C@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300003979763	1	42	-2.0	-102.14	376.62	3.68	-98.46
COC[C@H](NC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300003980203	0	41	-2.0	-121.58	361.78	3.05	-118.53
COC[C@H](NC(=O)C1=CC(Br)=C([O-])C(Br)=C1)C(=O)[O-]	REAL300003980287	0	28	-2.0	-96.27	296.28	3.00	-93.27
COC[C@H](NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300003980340	1	31	-2.0	-118.76	292.02	4.26	-114.50
COC[C@H](NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300003980417	0	34	-2.0	-106.00	316.94	-0.18	-106.18
COC[C@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300003980473	1	41	-2.0	-98.27	371.66	1.90	-96.37
COC[C@H](NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-])C(=O)[O-]	REAL300003980488	0	44	-2.0	-134.40	376.40	4.90	-129.50
COC[C@H](NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])C(=O)[O-]	REAL300003980489	0	44	-2.0	-132.80	376.33	4.91	-127.89
COC[C@H](NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-])C(=O)[O-]	REAL300003980547	0	38	-2.0	-128.31	338.60	3.93	-124.38
COC[C@H](NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300003980550	0	35	-2.0	-130.03	322.55	3.05	-126.98
COC[C@H](NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300003980578	0	35	-2.0	-97.72	338.17	1.11	-96.61
COC[C@H](NC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300003980610	0	27	-2.0	-101.25	277.27	0.87	-100.38
COC[C@H](NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-])C(=O)[O-]	REAL300003980650	0	38	-2.0	-137.41	340.89	3.63	-133.78
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@@H](COC)C(=O)[O-])=N1	REAL300003980651	0	41	-2.0	-135.54	350.41	4.77	-130.77
COC[C@H](NC(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O)C(=O)[O-]	REAL300003980677	1	41	-2.0	-114.69	360.21	2.03	-112.66
CCOC1=CC(C(=O)N[C@@H](COC)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300003980752	1	35	-2.0	-103.87	322.55	3.26	-100.61
COC[C@H](NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300003980756	0	38	-2.0	-138.32	346.18	4.38	-133.94
COC[C@H](NC(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-])C(=O)[O-]	REAL300003980762	0	39	-2.0	-132.48	345.62	2.28	-130.20
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@@H](COC)C(=O)[O-])=CO1	REAL300003980777	1	32	-2.0	-104.23	307.34	-2.50	-106.73
COC[C@H](NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300003981256	0	28	-2.0	-114.97	286.10	4.29	-110.68
COC[C@H](NC(=O)C1=C(C)N=C(C2=CC=CO2)[N-]C1=O)C(=O)[O-]	REAL300003981437	0	36	-2.0	-116.92	320.07	1.36	-115.56
CC[C@H](NC(=O)CCC1=C(C)N=C(N2CCOCC2)NC1=O)C(=O)[O-]	REAL300003981709	0	47	-2.0	-114.12	383.27	5.40	-108.72
CC[C@H](NC(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O)C(=O)[O-]	REAL300003981709	1	47	-2.0	-114.12	383.27	5.40	-108.72
CC[C@H](NC(=O)C1=CC(S(=O)(=O)NC2=CC=CC=C2C)=CC=C1C)C(=O)[O-]	REAL300003981753	0	47	-2.0	-106.13	400.77	6.87	-99.26
CC[C@H](NC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C)=CC=C1C)C(=O)[O-]	REAL300003981753	1	47	-2.0	-106.13	400.77	6.87	-99.26
CC[C@H](NC(=O)C1=CC=C(NS(=O)(=O)C2=CC=C(C)C(C)=C2)C=C1)C(=O)[O-]	REAL300003981784	0	47	-2.0	-107.49	402.18	6.69	-100.80
CC[C@H](NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(C)C(C)=C2)C=C1)C(=O)[O-]	REAL300003981784	1	47	-2.0	-107.49	402.18	6.69	-100.80
CC[C@H](NC(=O)C1=CC(C)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300003981981	0	37	-2.0	-115.60	325.43	3.22	-112.38
CC[C@H](NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1)C(=O)[O-]	REAL300003982197	1	41	-2.0	-107.68	371.21	5.47	-102.21
CC[C@H](NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(F)=C2)=C1)C(=O)[O-]	REAL300003982225	1	44	-2.0	-108.62	390.67	6.19	-102.43
CC[C@H](NC(=O)C1=CC=CC=C1[N-]S(=O)(=O)CC)C(=O)[O-]	REAL300003982244	0	37	-2.0	-116.54	325.50	3.44	-113.10
CC[C@H](NC(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1)C(=O)[O-]	REAL300003982280	1	39	-2.0	-127.33	347.87	8.37	-118.96
CC[C@H](NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300003982326	1	41	-2.0	-99.76	370.15	5.56	-94.20
CC[C@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C)C=C1)C(=O)[O-]	REAL300003982328	1	44	-2.0	-99.77	384.69	6.20	-93.57
CC[C@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C)=C2C)C=C1)C(=O)[O-]	REAL300003982332	1	47	-2.0	-100.83	400.84	6.77	-94.06
CC[C@H](NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300003982439	1	41	-2.0	-106.26	363.74	5.49	-100.77
CC[C@H](NC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300003982440	1	44	-2.0	-108.76	395.82	6.18	-102.58
CC[C@H](NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300003982441	1	41	-2.0	-111.82	364.53	5.50	-106.32
CC[C@H](NC(=O)C1=CC=C([N-]S(=O)(=O)C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300003982456	0	37	-2.0	-90.78	345.18	3.67	-87.11
CC[C@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2)C=C1)C(=O)[O-]	REAL300003982564	1	44	-2.0	-100.47	385.34	6.14	-94.33
CC[C@H](NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2)=C1)C(=O)[O-]	REAL300003982640	1	41	-2.0	-109.55	381.52	5.93	-103.62
CC[C@H](NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2OC)=C1)C(=O)[O-]	REAL300003982641	0	45	-2.0	-118.37	393.18	4.79	-113.58
CC[C@H](NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OC)C=C2)=C1)C(=O)[O-]	REAL300003982642	1	45	-2.0	-112.86	394.31	4.71	-108.15
CC[C@H](NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300003982647	0	38	-2.0	-104.51	356.27	4.51	-100.00
CC[C@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300003982660	1	40	-2.0	-96.61	351.10	1.69	-94.92
CC[C@H](NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2)=C1)C(=O)[O-]	REAL300003982738	1	44	-2.0	-114.94	385.36	6.12	-108.82
CC[C@H](NC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C)C=C2)=C1)C(=O)[O-]	REAL300003982745	1	47	-2.0	-115.19	400.78	6.90	-108.29
CC[C@H](NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C)=C2)C=C1)C(=O)[O-]	REAL300003982751	1	44	-2.0	-100.19	390.47	6.19	-94.00
CC[C@H](NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2C)C=C1)C(=O)[O-]	REAL300003982752	1	44	-2.0	-99.80	386.23	6.35	-93.45
CC[C@H](NC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(C)=C1)C(=O)[O-]	REAL300003982755	0	44	-2.0	-117.63	389.00	6.41	-111.22
CC[C@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2OC)C=C1)C(=O)[O-]	REAL300003982782	0	45	-2.0	-103.66	393.16	4.81	-98.85
CC[C@H](NC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=CC=C1C)C(=O)[O-]	REAL300003982784	1	44	-2.0	-99.65	386.45	6.21	-93.44
CC[C@H](NC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C)=C2)=C1)C(=O)[O-]	REAL300003982785	1	47	-2.0	-115.63	401.61	6.85	-108.78
CC[C@H](NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2)=C1)C(=O)[O-]	REAL300003982786	1	44	-2.0	-115.38	386.18	6.09	-109.29
CC[C@H](NC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2)=CC=C1C)C(=O)[O-]	REAL300003982787	1	47	-2.0	-107.24	402.24	6.78	-100.46
CC[C@H](NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC(C)=CC=C2C)=C1)C(=O)[O-]	REAL300003982792	1	47	-2.0	-112.01	400.84	6.92	-105.09
CC[C@H](NC(=O)C1=CC(NC(C)=O)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300003982855	0	41	-2.0	-120.93	360.17	1.51	-119.42
CC[C@H](NC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300003982898	0	34	-2.0	-114.87	304.03	2.55	-112.32
CC[C@H](NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C(=O)[O-]	REAL300003982908	0	38	-2.0	-109.86	356.70	4.45	-105.41
CC[C@H](NC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300003982909	0	41	-2.0	-117.86	380.52	5.15	-112.71
CC[C@H](NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1)C(=O)[O-]	REAL300003983180	1	38	-2.0	-110.60	338.22	3.64	-106.96
CC[C@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OC)C=C2)C=C1)C(=O)[O-]	REAL300003983245	1	45	-2.0	-98.72	393.46	4.76	-93.96
CC[C@H](NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300003983323	0	34	-2.0	-107.37	310.21	2.69	-104.68
CC[C@H](NC(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O)C(=O)[O-]	REAL300003983333	1	40	-2.0	-115.08	348.16	3.79	-111.29
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@@H](CC)C(=O)[O-]	REAL300003983336	0	40	-2.0	-117.14	346.17	4.28	-112.86
CC[C@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300003983473	1	41	-2.0	-99.71	363.93	5.47	-94.24
CC[C@H](NC(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C)=CC=C1C)C(=O)[O-]	REAL300003983475	0	47	-2.0	-124.21	399.19	7.14	-117.07
CC[C@H](NC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300003983790	0	40	-2.0	-119.99	349.10	4.85	-115.14
CC[C@H](NC(=O)C1=CC(Br)=C([O-])C(Br)=C1)C(=O)[O-]	REAL300003983859	0	27	-2.0	-93.67	283.59	4.80	-88.87
CC[C@H](NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300003983955	0	33	-2.0	-103.19	305.08	1.57	-101.62
CC[C@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300003983997	1	40	-2.0	-95.80	358.96	3.69	-92.11
CC[C@H](NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-])C(=O)[O-]	REAL300003984010	0	43	-2.0	-131.51	364.68	6.61	-124.90
CC[C@H](NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])C(=O)[O-]	REAL300003984011	0	43	-2.0	-130.11	363.78	6.66	-123.45
CC[C@H](NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-])C(=O)[O-]	REAL300003984046	0	37	-2.0	-126.05	325.91	5.73	-120.32
CC[C@H](NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300003984049	0	34	-2.0	-127.40	310.83	4.75	-122.65
CC[C@H](NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300003984069	0	34	-2.0	-95.75	326.31	2.89	-92.86
CC[C@H](NC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300003984090	0	26	-2.0	-98.87	264.73	2.63	-96.24
CC[C@H](NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-])C(=O)[O-]	REAL300003984123	0	37	-2.0	-134.64	329.17	5.34	-129.30
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@@H](CC)C(=O)[O-])=N1	REAL300003984124	0	40	-2.0	-132.91	337.87	6.53	-126.38
CC[C@H](NC(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O)C(=O)[O-]	REAL300003984140	1	40	-2.0	-112.64	348.10	3.85	-108.79
CCOC1=CC(C(=O)N[C@@H](CC)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300003984197	1	34	-2.0	-101.32	310.45	5.08	-96.24
CC[C@H](NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300003984201	0	37	-2.0	-135.56	334.32	6.13	-129.43
CC[C@H](NC(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-])C(=O)[O-]	REAL300003984210	0	38	-2.0	-129.73	333.90	3.99	-125.74
CC[C@H](NC(=O)C1=C(C)N=C(C2=CC=CO2)[N-]C1=O)C(=O)[O-]	REAL300003984673	0	35	-2.0	-113.02	307.87	3.16	-109.86
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300003985341	0	44	-2.0	-114.40	389.98	6.38	-108.02
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003985596	0	44	-2.0	-115.43	390.34	6.53	-108.90
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])O1	REAL300003985992	1	38	-2.0	-94.04	361.33	2.33	-91.71
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003986222	0	41	-2.0	-113.78	368.88	5.62	-108.16
CC(C)C(=O)[N-]C1=NC(CC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])=CS1	REAL300003986541	1	45	-2.0	-114.18	402.83	6.79	-107.39
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003986746	0	41	-2.0	-106.05	375.00	5.77	-100.28
CC1=C(C(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300003986835	1	47	-2.0	-108.92	393.61	7.12	-101.80
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)C1=CC=C([O-])C(F)=C1	REAL300003987876	1	34	-2.0	-100.09	314.64	6.58	-93.51
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300003987889	1	37	-2.0	-116.11	344.96	9.10	-107.01
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)CCC1=N[N-]N=N1	REAL300003987930	0	34	-2.0	-94.90	312.14	4.60	-90.30
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)CCC1=NN=N[N-]1	REAL300003987930	1	34	-2.0	-94.89	312.19	4.62	-90.27
CS(=O)(=O)[N-]C1=CC=C(C(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C=N1	REAL300003988017	0	40	-2.0	-101.60	369.87	4.67	-96.93
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300003988052	1	39	-2.0	-107.17	347.43	6.11	-101.06
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)C1=CN=CC([O-])=C1	REAL300003988094	1	33	-2.0	-102.25	303.53	4.66	-97.59
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300003988208	0	41	-2.0	-125.98	375.62	7.84	-118.14
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300003988254	1	39	-2.0	-130.44	348.59	8.78	-121.66
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])=N1	REAL300003988421	0	47	-2.0	-130.68	400.38	9.42	-121.26
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300003988556	0	34	-2.0	-94.94	330.40	7.18	-87.76
COC1=C(C(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])NC(=O)[N-]C1=O	REAL300003988574	1	37	-2.0	-96.08	336.59	2.16	-93.92
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300003988674	0	37	-2.0	-103.49	333.34	5.46	-98.03
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300003988674	1	37	-2.0	-103.48	333.40	5.48	-98.00
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300003988714	0	34	-2.0	-97.22	324.19	7.12	-90.10
CCOC1=CC(C(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300003988717	1	41	-2.0	-100.26	375.49	8.11	-92.15
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@H](CC3=CC=C(F)C=C3)C(=O)[O-])=N2)C=C1	REAL300003988726	0	45	-2.0	-128.09	398.69	7.08	-121.01
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])=CO1	REAL300003988750	1	38	-2.0	-101.25	360.17	2.36	-98.89
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300003988918	0	37	-2.0	-88.72	343.98	5.26	-83.46
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300003988918	1	37	-2.0	-88.76	344.05	5.27	-83.49
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)C1=C[N-]N=CC1=O	REAL300003989211	0	32	-2.0	-97.42	295.45	5.16	-92.26
COCC1=NC=C(C(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C(=O)[N-]1	REAL300003989246	1	39	-2.0	-106.96	349.60	3.72	-103.24
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300003989296	1	42	-2.0	-107.38	363.18	6.67	-100.71
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300003989616	0	34	-2.0	-111.87	339.04	9.14	-102.73
CCC(C)CC(NC(=O)CCC1=C(C)N=C(N2CCOCC2)NC1=O)C(=O)[O-]	REAL300003990487	0	56	-2.0	-106.87	440.09	7.40	-99.47
CCC(C)CC(NC(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O)C(=O)[O-]	REAL300003990487	1	56	-2.0	-106.87	440.09	7.40	-99.47
CCC(C)CC(NC(=O)C1=CC(C)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300003990842	0	46	-2.0	-117.40	381.59	5.26	-112.14
CCC(C)CC(NC(=O)C1=CC=CC=C1[N-]S(=O)(=O)CC)C(=O)[O-]	REAL300003991152	0	46	-2.0	-118.45	381.66	5.48	-112.97
CCC(C)CC(NC(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1)C(=O)[O-]	REAL300003991202	1	48	-2.0	-129.34	403.73	10.27	-119.07
CCC(C)CC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300003991654	1	49	-2.0	-97.47	408.03	3.65	-93.82
CCC(C)CC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C)O1)C(=O)[O-]	REAL300003991655	1	40	-2.0	-96.38	352.56	1.24	-95.14
CCC(C)CC(NC(=O)C1=CC(NC(C)=O)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300003991886	0	50	-2.0	-122.42	416.96	3.41	-119.01
CCC(C)CC(NC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300003991932	0	43	-2.0	-116.70	360.97	4.52	-112.18
CCC(C)CC(NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1)C(=O)[O-]	REAL300003992304	1	47	-2.0	-111.71	394.39	5.68	-106.03
CCC(C)CC(NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300003992541	0	43	-2.0	-109.01	366.61	4.64	-104.37
CCC(C)CC(NC(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O)C(=O)[O-]	REAL300003992544	1	49	-2.0	-116.86	405.24	5.87	-110.99
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CC(C)CC)C(=O)[O-]	REAL300003992547	0	49	-2.0	-119.17	403.93	6.21	-112.96
CCC(C)CC(NC(=O)C1=C(C)N=C(C(C)(C)C)[N-]C1=O)C(=O)[O-]	REAL300003992618	1	49	-2.0	-112.89	385.13	5.99	-106.90
CCC(C)CC(NC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300003993382	0	49	-2.0	-121.64	406.98	6.76	-114.88
CCC(C)CC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300003993576	1	39	-2.0	-119.38	336.35	8.04	-111.34
CCC(C)CC(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300003993677	0	42	-2.0	-104.05	362.01	3.53	-100.52
CCC(C)CC(NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C(=O)[O-]	REAL300003993707	1	41	-2.0	-111.91	339.10	5.00	-106.91
CCC(C)CC(NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-])C(=O)[O-]	REAL300003993761	0	52	-2.0	-133.48	421.37	8.63	-124.85
CCC(C)CC(NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])C(=O)[O-]	REAL300003993762	0	52	-2.0	-132.71	421.55	8.60	-124.11
CCC(C)CC(NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-])C(=O)[O-]	REAL300003993840	0	46	-2.0	-128.39	389.08	7.66	-120.73
CCC(C)CC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300003993845	0	43	-2.0	-129.13	367.77	6.71	-122.42
CCC(C)CC(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(=O)[O-]	REAL300003993871	1	41	-2.0	-135.27	340.80	7.65	-127.62
CCC(C)CC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300003993891	0	43	-2.0	-96.54	383.24	4.81	-91.73
CCC(C)CC(NC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300003993940	0	35	-2.0	-99.85	321.64	4.58	-95.27
CCC(C)CC(NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-])C(=O)[O-]	REAL300003994005	0	46	-2.0	-136.47	385.86	7.36	-129.11
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CC(C)CC)C(=O)[O-])=N1	REAL300003994006	0	49	-2.0	-135.27	402.38	8.43	-126.84
CCC(C)CC(NC(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O)C(=O)[O-]	REAL300003994066	1	49	-2.0	-114.63	404.51	5.82	-108.81
CCC(C)CC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300003994111	0	36	-2.0	-96.81	321.95	6.04	-90.77
CCC(C)CC(NC(=O)C1=C(OC)C(=O)[N-]C(=O)N1)C(=O)[O-]	REAL300003994119	1	39	-2.0	-99.05	328.92	1.05	-98.00
CCOC1=CC(C(=O)NC(CC(C)CC)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300003994225	1	43	-2.0	-102.37	367.63	6.97	-95.40
CCC(C)CC(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300003994229	0	46	-2.0	-137.47	391.01	8.15	-129.32
CCC(C)CC(NC(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-])C(=O)[O-]	REAL300003994237	0	47	-2.0	-132.33	390.83	5.97	-126.36
CCC(C)CC(NC(=O)C1=COC(S(=O)(=O)[N-]C)=C1)C(=O)[O-]	REAL300003994257	1	40	-2.0	-102.84	351.72	1.22	-101.62
CCC(C)CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300003994388	0	39	-2.0	-91.10	336.20	4.14	-86.96
CCC(C)CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300003994388	1	39	-2.0	-91.16	336.27	4.14	-87.02
CCC(C)CC(NC(=O)C1=CN=C(COC)[N-]C1=O)C(=O)[O-]	REAL300003994665	1	41	-2.0	-110.31	340.34	2.63	-107.68
CCC(C)CC(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(=O)[O-]	REAL300003994706	1	44	-2.0	-112.48	355.62	5.50	-106.98
CCC(C)CC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300003994966	0	36	-2.0	-115.31	330.39	8.08	-107.23
CCC(C)CC(NC(=O)C1=C(C)N=C(C2=CC=CO2)[N-]C1=O)C(=O)[O-]	REAL300003995226	0	44	-2.0	-115.57	365.36	5.06	-110.51
COC1=CC=C(C(=O)NC2=CC=C(OC3=CC=NC(C(=O)[O-])=C3)C=C2)C([O-])=C1	REAL300003996876	1	42	-2.0	-111.02	368.29	6.91	-104.11
O=C([O-])C1=CC(OC2=CC=C(NC(=O)C3=CC=C([O-])C(F)=C3)C=C2)=CC=N1	REAL300003997204	1	38	-2.0	-94.89	347.25	6.16	-88.73
O=C([O-])C1=CC(OC2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C2)=CC=N1	REAL300003997267	0	38	-2.0	-92.88	344.69	4.24	-88.64
O=C([O-])C1=CC(OC2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C2)=CC=N1	REAL300003997267	1	38	-2.0	-92.90	344.75	4.25	-88.65
O=C([O-])C1=CC(OC2=CC=C(NC(=O)C3=CN=C(C4CC4)[N-]C3=O)C=C2)=CC=N1	REAL300003997332	1	43	-2.0	-89.43	380.39	5.64	-83.79
O=C([O-])C1=CC(OC2=CC=C(NC(=O)C3=CN=CC([O-])=C3)C=C2)=CC=N1	REAL300003997347	1	37	-2.0	-98.01	336.09	4.29	-93.72
O=C([O-])C1=CC(OC2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2)=CC=N1	REAL300003997699	0	41	-2.0	-102.27	366.19	5.02	-97.25
O=C([O-])C1=CC(OC2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2)=CC=N1	REAL300003997699	1	41	-2.0	-102.30	366.25	5.03	-97.27
O=C([O-])C1=CC(OC2=CC=C(NC(=O)C3=CC=C([O-])C(Cl)=C3)C=C2)=CC=N1	REAL300003997723	0	38	-2.0	-91.59	357.04	6.65	-84.94
O=C([O-])C1=CC(OC2=CC=C(NC(=O)C3=C[N-]N=CC3=O)C=C2)=CC=N1	REAL300003997978	0	36	-2.0	-82.11	328.33	4.71	-77.40
COCC1=NC=C(C(=O)NC2=CC=C(OC3=CC=NC(C(=O)[O-])=C3)C=C2)C(=O)[N-]1	REAL300003997997	1	43	-2.0	-89.27	382.23	3.31	-85.96
O=C([O-])C1(C(=O)NC2=NC=C(CC3=CC=CC(C(F)(F)F)=C3)S2)CC1	REAL300003998543	0	36	-2.0	-116.07	348.50	8.73	-107.34
O=C([O-])C1(C(=O)[N-]C2=NC=C(CC3=CC=CC(C(F)(F)F)=C3)S2)CC1	REAL300003998543	1	36	-2.0	-116.07	348.50	8.73	-107.34
O=C([O-])C1(C(=O)NC2=NC=C(CC3=CC=CC(C(F)(F)F)=C3)S2)CC1	REAL300003998544	0	36	-2.0	-116.07	348.50	8.73	-107.34
O=C([O-])C1(C(=O)[N-]C2=NC=C(CC3=CC=CC(C(F)(F)F)=C3)S2)CC1	REAL300003998544	1	36	-2.0	-116.07	348.50	8.73	-107.34
O=C([O-])C12CC(C(=O)NC3=NC=C(CC4=CC=CC(C(F)(F)F)=C4)S3)(C1)C2	REAL300003998546	0	40	-2.0	-100.16	377.91	9.70	-90.46
O=C([O-])C12CC(C(=O)[N-]C3=NC=C(CC4=CC=CC(C(F)(F)F)=C4)S3)(C1)C2	REAL300003998546	1	40	-2.0	-100.16	377.91	9.70	-90.46
O=C([O-])C1(C(=O)NC2=NC=C(CC3=CC=CC(C(F)(F)F)=C3)S2)CCC1	REAL300003998547	0	39	-2.0	-116.45	361.33	9.30	-107.15
O=C([O-])C1(C(=O)[N-]C2=NC=C(CC3=CC=CC(C(F)(F)F)=C3)S2)CCC1	REAL300003998547	1	39	-2.0	-116.45	361.33	9.30	-107.15
CC(C)(C(=O)[O-])C(=O)NC1=NC=C(CC2=CC=CC(C(F)(F)F)=C2)S1	REAL300003998548	0	38	-2.0	-119.70	356.35	9.29	-110.41
CC(C)(C(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC(C(F)(F)F)=C2)S1	REAL300003998548	1	38	-2.0	-119.70	356.35	9.29	-110.41
O=C([O-])C1(C(=O)NC2=NC=C(CC3=CC=CC(C(F)(F)F)=C3)S2)CCCC1	REAL300003998552	0	42	-2.0	-119.44	377.81	9.95	-109.49
O=C([O-])C1(C(=O)[N-]C2=NC=C(CC3=CC=CC(C(F)(F)F)=C3)S2)CCCC1	REAL300003998552	1	42	-2.0	-119.44	377.81	9.95	-109.49
O=C([O-])COCC(=O)NC1=NC=C(CC2=CC=CC(C(F)(F)F)=C2)S1	REAL300003998553	0	36	-2.0	-111.12	353.41	7.94	-103.18
O=C([O-])COCC(=O)[N-]C1=NC=C(CC2=CC=CC(C(F)(F)F)=C2)S1	REAL300003998553	1	36	-2.0	-111.12	353.41	7.94	-103.18
O=C([O-])C1(C(=O)NC2=NC=C(CC3=CC=CC(C(F)(F)F)=C3)S2)CC=CC1	REAL300003998565	0	40	-2.0	-119.95	372.98	9.52	-110.43
O=C([O-])C1(C(=O)[N-]C2=NC=C(CC3=CC=CC(C(F)(F)F)=C3)S2)CC=CC1	REAL300003998565	1	40	-2.0	-119.95	372.98	9.52	-110.43
COC(C(=O)[O-])C(=O)NC1=NC=C(CC2=CC=CC(C(F)(F)F)=C2)S1	REAL300003998567	0	36	-2.0	-118.87	351.72	7.80	-111.07
COC(C(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC(C(F)(F)F)=C2)S1	REAL300003998567	1	36	-2.0	-118.87	351.72	7.80	-111.07
C[C@]1(C(=O)NC2=NC=C(CC3=CC=CC(C(F)(F)F)=C3)S2)C[C@H]1C(=O)[O-]	REAL300003998568	0	39	-2.0	-128.16	366.07	10.23	-117.93
C[C@]1(C(=O)[N-]C2=NC=C(CC3=CC=CC(C(F)(F)F)=C3)S2)C[C@H]1C(=O)[O-]	REAL300003998568	1	39	-2.0	-128.16	366.07	10.23	-117.93
CC1CC1(C(=O)[O-])C(=O)NC1=NC=C(CC2=CC=CC(C(F)(F)F)=C2)S1	REAL300003998570	0	39	-2.0	-116.69	366.15	9.30	-107.39
CC1CC1(C(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC(C(F)(F)F)=C2)S1	REAL300003998570	1	39	-2.0	-116.69	366.15	9.30	-107.39
C=C1CCC1(C(=O)[O-])C(=O)NC1=NC=C(CC2=CC=CC(C(F)(F)F)=C2)S1	REAL300003998571	0	40	-2.0	-119.36	376.77	9.71	-109.65
C=C1CCC1(C(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC(C(F)(F)F)=C2)S1	REAL300003998571	1	40	-2.0	-119.36	376.77	9.71	-109.65
CC(C)C1=CSC(NC(=O)CCC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300003998576	0	38	-2.0	-92.43	337.31	7.46	-84.97
CC(C)C1=CSC([N-]C(=O)CCC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300003998576	1	38	-2.0	-92.43	337.31	7.46	-84.97
CC(C)C1=CSC(NC(=O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=N1	REAL300003998578	0	40	-2.0	-91.38	369.96	2.37	-89.01
CC(C)C1=CSC([N-]C(=O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=N1	REAL300003998578	1	40	-2.0	-91.38	369.96	2.37	-89.01
CC(C)C1=CSC(NC(=O)CCC2=CC=CC=C2C(=O)[O-])=N1	REAL300003998583	0	38	-2.0	-115.59	328.72	7.19	-108.40
CC(C)C1=CSC([N-]C(=O)CCC2=CC=CC=C2C(=O)[O-])=N1	REAL300003998583	1	38	-2.0	-115.59	328.72	7.19	-108.40
CC(C)C1=CSC(NC(=O)CC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300003998585	0	35	-2.0	-103.83	315.94	6.64	-97.19
CC(C)C1=CSC([N-]C(=O)CC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300003998585	1	35	-2.0	-103.83	315.94	6.64	-97.19
CC(C)C1=CSC(NC(=O)CC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300003998587	0	35	-2.0	-96.62	315.93	6.65	-89.97
CC(C)C1=CSC([N-]C(=O)CC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300003998587	1	35	-2.0	-96.62	315.93	6.65	-89.97
CC(C)C1=CSC(NC(=O)CC2CCC(C(=O)[O-])CC2)=N1	REAL300003998593	0	41	-2.0	-99.80	327.71	6.65	-93.15
CC(C)C1=CSC([N-]C(=O)CC2CCC(C(=O)[O-])CC2)=N1	REAL300003998593	1	41	-2.0	-99.80	327.71	6.65	-93.15
CC(C)C1=CSC(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)=N1	REAL300003998594	0	39	-2.0	-97.44	325.33	6.36	-91.08
CC(C)C1=CSC([N-]C(=O)C23CCC(C(=O)[O-])(CC2)C3)=N1	REAL300003998594	1	39	-2.0	-97.44	325.33	6.36	-91.08
CC(C)C1=CSC(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)=N1	REAL300003998595	0	42	-2.0	-92.09	336.81	6.85	-85.24
CC(C)C1=CSC([N-]C(=O)C23CCC(C(=O)[O-])(CC2)CC3)=N1	REAL300003998595	1	42	-2.0	-92.09	336.81	6.85	-85.24
CC(C)C1=CSC(NC(=O)CC2CCCC3=CC=C(C(=O)[O-])C=C32)=N1	REAL300003998598	0	45	-2.0	-105.56	370.17	8.87	-96.69
CC(C)C1=CSC([N-]C(=O)CC2CCCC3=CC=C(C(=O)[O-])C=C32)=N1	REAL300003998598	1	45	-2.0	-105.56	370.17	8.87	-96.69
CC(C)C1=CSC(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)=N1	REAL300003998600	0	39	-2.0	-117.64	323.09	6.68	-110.96
CC(C)C1=CSC([N-]C(=O)C2(C(=O)[O-])CC3(CCC3)C2)=N1	REAL300003998600	1	39	-2.0	-117.64	323.09	6.68	-110.96
CC(C)C1=CSC(NC(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)=N1	REAL300003998602	0	41	-2.0	-106.73	359.38	6.54	-100.19
CC(C)C1=CSC([N-]C(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)=N1	REAL300003998602	1	41	-2.0	-106.73	359.38	6.54	-100.19
CC(C)C1=CSC(NC(=O)COCC2=C(C(=O)[O-])N=CO2)=N1	REAL300003998607	0	35	-2.0	-111.20	324.05	1.61	-109.59
CC(C)C1=CSC([N-]C(=O)COCC2=C(C(=O)[O-])N=CO2)=N1	REAL300003998607	1	35	-2.0	-111.20	324.05	1.61	-109.59
CC(C)C1=CSC(NC(=O)CCCN2C=CC(C(=O)[O-])=N2)=N1	REAL300003998611	0	38	-2.0	-110.28	340.95	5.51	-104.77
CC(C)C1=CSC([N-]C(=O)CCCN2C=CC(C(=O)[O-])=N2)=N1	REAL300003998611	1	38	-2.0	-110.28	340.95	5.51	-104.77
CC(C)C1=CSC(NC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)=N1	REAL300003998612	0	39	-2.0	-101.74	335.09	5.84	-95.90
CC(C)C1=CSC([N-]C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)=N1	REAL300003998612	1	39	-2.0	-101.74	335.09	5.84	-95.90
CC(C)C1=CSC(NC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)=N1	REAL300003998613	0	39	-2.0	-94.51	333.97	4.78	-89.73
CC(C)C1=CSC([N-]C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)=N1	REAL300003998613	1	39	-2.0	-94.51	333.97	4.78	-89.73
CC(C)C1=CSC(NC(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])=N1	REAL300003998614	0	40	-2.0	-124.54	322.79	6.97	-117.57
CC(C)C1=CSC([N-]C(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])=N1	REAL300003998614	1	40	-2.0	-124.54	322.79	6.97	-117.57
CC(C)C1=CSC(NC(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)=N1	REAL300003998616	0	39	-2.0	-116.61	334.65	8.04	-108.57
CC(C)C1=CSC([N-]C(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)=N1	REAL300003998616	1	39	-2.0	-116.61	334.65	8.04	-108.57
CC(C)C1=CSC(NC(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)=N1	REAL300003998618	0	39	-2.0	-106.62	349.26	8.11	-98.51
CC(C)C1=CSC([N-]C(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)=N1	REAL300003998618	1	39	-2.0	-106.62	349.26	8.11	-98.51
CC(C)C1=CSC(NC(=O)C2CC3(CC(C(=O)[O-])C3)C2)=N1	REAL300003998623	0	39	-2.0	-92.75	332.21	6.84	-85.91
CC(C)C1=CSC([N-]C(=O)C2CC3(CC(C(=O)[O-])C3)C2)=N1	REAL300003998623	1	39	-2.0	-92.75	332.21	6.84	-85.91
CC(C)C1=CSC(NC(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)=N1	REAL300003998626	0	36	-2.0	-93.28	325.31	6.49	-86.79
CC(C)C1=CSC([N-]C(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)=N1	REAL300003998626	1	36	-2.0	-93.28	325.31	6.49	-86.79
CC(C)C1=CSC(NC(=O)CCC2=CC=CN=C2C(=O)[O-])=N1	REAL300003998632	0	37	-2.0	-117.04	324.83	5.44	-111.60
CC(C)C1=CSC([N-]C(=O)CCC2=CC=CN=C2C(=O)[O-])=N1	REAL300003998632	1	37	-2.0	-117.04	324.83	5.44	-111.60
CC(C)C1=CSC(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)=N1	REAL300003998634	0	39	-2.0	-117.64	323.09	6.68	-110.96
CC(C)C1=CSC([N-]C(=O)C2(C(=O)[O-])CC3(CCC3)C2)=N1	REAL300003998634	1	39	-2.0	-117.64	323.09	6.68	-110.96
CC(C)C1=CSC(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])=N1	REAL300003998640	0	37	-2.0	-129.65	311.27	4.31	-125.34
CC(C)C1=CSC([N-]C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])=N1	REAL300003998640	1	37	-2.0	-129.65	311.27	4.31	-125.34
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CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)CC2=CC(C(=O)[O-])=CS2)=N1	REAL300003999172	1	39	-2.0	-106.89	365.87	9.26	-97.63
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)=N1	REAL300003999173	1	42	-2.0	-103.60	382.20	10.28	-93.32
O=C([O-])C1(C(=O)[N-]C2=NC3=C(CC(C4=CC=CC=C4)CC3)S2)CC1	REAL300003999307	1	40	-2.0	-119.84	347.27	9.16	-110.68
O=C([O-])C1(C(=O)[N-]C2=NC3=C(CC(C4=CC=CC=C4)CC3)S2)CC1	REAL300003999308	1	40	-2.0	-119.84	347.27	9.16	-110.68
O=C([O-])C1=CN(CC(=O)[N-]C2=NC3=C(CC(C4=CC=CC=C4)CC3)S2)N=N1	REAL300003999318	1	42	-2.0	-107.17	375.07	7.25	-99.92
O=C([O-])C12CC(C(=O)[N-]C3=NC4=C(CC(C5=CC=CC=C5)CC4)S3)(C1)C2	REAL300003999326	1	44	-2.0	-101.74	376.71	10.13	-91.61
O=C([O-])C1(C(=O)[N-]C2=NC3=C(CC(C4=CC=CC=C4)CC3)S2)CCC1	REAL300003999327	1	43	-2.0	-120.98	360.72	9.57	-111.41
O=C([O-])C12CCC(C(=O)[N-]C3=NC4=C(CC(C5=CC=CC=C5)CC4)S3)(CC1)C2	REAL300003999330	1	50	-2.0	-105.24	407.06	10.94	-94.30
O=C([O-])C1(C(=O)[N-]C2=NC3=C(CC(C4=CC=CC=C4)CC3)S2)CCCC1	REAL300003999335	1	46	-2.0	-123.24	378.25	10.18	-113.06
O=C([O-])C1=CN(CC(=O)[N-]C2=NC3=C(CC(C4=CC=CC=C4)CC3)S2)N=C1	REAL300003999338	1	43	-2.0	-105.79	379.97	8.72	-97.07
O=C([O-])C1(C(=O)[N-]C2=NC3=C(CC(C4=CC=CC=C4)CC3)S2)CC2(CCC2)C1	REAL300003999340	1	50	-2.0	-124.24	405.10	11.28	-112.96
O=C([O-])COCC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300003999343	1	40	-2.0	-112.28	352.19	8.37	-103.91
C[C@@H]1C[C@H](C(=O)[N-]C2=NC3=C(CC(C4=CC=CC=C4)CC3)S2)O[C@H]1C(=O)[O-]	REAL300003999345	1	47	-2.0	-112.53	395.61	10.03	-102.50
CC(C)(CCC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300003999346	1	48	-2.0	-109.44	393.21	10.11	-99.33
O=C([O-])C1=NN(CC(=O)[N-]C2=NC3=C(CC(C4=CC=CC=C4)CC3)S2)C=C1	REAL300003999354	1	43	-2.0	-120.96	379.33	8.74	-112.22
O=C([O-])C1(C(=O)[N-]C2=NC3=C(CC(C4=CC=CC=C4)CC3)S2)CC=CC1	REAL300003999376	1	44	-2.0	-123.39	370.49	10.08	-113.31
COC(C(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300003999380	1	40	-2.0	-121.85	350.49	8.22	-113.63
C[C@]1(C(=O)[N-]C2=NC3=C(CC(C4=CC=CC=C4)CC3)S2)C[C@H]1C(=O)[O-]	REAL300003999381	1	43	-2.0	-132.12	366.88	9.99	-122.13
O=C([O-])C12CC(C(=O)[N-]C3=NC4=C(CC(C5=CC=CC=C5)CC4)S3)(C1)OC2	REAL300003999383	1	45	-2.0	-102.21	383.76	8.09	-94.12
CC1CC1(C(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300003999385	1	43	-2.0	-120.19	362.94	9.96	-110.23
O=C([O-])C1(C(=O)[N-]C2=NC3=C(CC(C4=CC=CC=C4)CC3)S2)CC2(CCC2)C1	REAL300003999386	1	50	-2.0	-124.24	405.10	11.28	-112.96
C=C1CCC1(C(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300003999389	1	44	-2.0	-123.15	375.55	10.14	-113.01
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300003999391	1	48	-2.0	-138.78	393.54	8.75	-130.03
CC(C)[C@]1(C(=O)[N-]C2=NC3=C(CC(C4=CC=CC=C4)CC3)S2)C[C@H]1C(=O)[O-]	REAL300003999392	1	49	-2.0	-134.82	402.95	10.62	-124.20
O=C([O-])C1=CSC(CC(=O)[N-]C2=NC3=C(CC(C4=CC=CC=C4)CC3)S2)=C1	REAL300003999393	1	43	-2.0	-107.31	389.47	10.39	-96.92
CCCC1CCC2=C(C1)SC([N-]C(=O)CN1C=C(C(=O)[O-])N=N1)=N2	REAL300003999419	1	41	-2.0	-107.18	358.72	5.82	-101.36
CCCC1CCC2=C(C1)SC([N-]C(=O)C13CC(C(=O)[O-])(C1)C3)=N2	REAL300003999427	1	43	-2.0	-101.86	360.33	8.71	-93.15
CCCC1CCC2=C(C1)SC([N-]C(=O)C13CCC(C(=O)[O-])(CC1)C3)=N2	REAL300003999431	1	49	-2.0	-105.28	390.73	9.51	-95.77
CCCC1CCC2=C(C1)SC([N-]C(=O)C13CCC(C(=O)[O-])(CC1)CC3)=N2	REAL300003999432	1	52	-2.0	-98.16	402.48	10.03	-88.13
CCCC1CCC2=C(C1)SC([N-]C(=O)CN1C=C(C(=O)[O-])C=N1)=N2	REAL300003999442	1	42	-2.0	-105.90	363.66	7.29	-98.61
CCCC1CCC2=C(C1)SC([N-]C(=O)COCC(=O)[O-])=N2	REAL300003999448	1	39	-2.0	-112.36	335.84	6.94	-105.42
CCCC1CCC2=C(C1)SC([N-]C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)=N2	REAL300003999450	1	46	-2.0	-112.68	379.29	8.60	-104.08
CCCC1CCC2=C(C1)SC([N-]C(=O)C(C)(C)CCC(=O)[O-])=N2	REAL300003999451	1	47	-2.0	-109.48	376.87	8.68	-100.80
CCCC1CCC2=C(C1)SC([N-]C(=O)COCC1=C(C(=O)[O-])N=CO1)=N2	REAL300003999456	1	45	-2.0	-119.66	389.68	4.83	-114.83
CCCC1CCC2=C(C1)SC([N-]C(=O)CN1C=CC(C(=O)[O-])=N1)=N2	REAL300003999462	1	42	-2.0	-121.02	363.00	7.32	-113.70
CCCC1CCC2=C(C1)SC([N-]C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)=N2	REAL300003999465	1	49	-2.0	-110.14	400.74	9.04	-101.10
CCCC1CCC2=C(C1)SC([N-]C(=O)C1(C(=O)[O-])CC1C1=CC=CC=C1)=N2	REAL300003999476	1	49	-2.0	-121.25	400.32	11.20	-110.05
CCCC1CCC2=C(C1)SC([N-]C(=O)CN1C=C(C(=O)[O-])C3=CC=CC=C31)=N2	REAL300003999478	1	49	-2.0	-114.19	414.92	11.27	-102.92
CCCC1CCC2=C(C1)SC([N-]C(=O)C1(C(=O)[O-])CC=CC1)=N2	REAL300003999493	1	43	-2.0	-123.44	354.05	8.66	-114.78
CCCC1CCC2=C(C1)SC([N-]C(=O)C(OC)C(=O)[O-])=N2	REAL300003999499	1	39	-2.0	-122.13	334.15	6.79	-115.34
CCCC1CCC2=C(C1)SC([N-]C(=O)[C@@]1(C)C[C@H]1C(=O)[O-])=N2	REAL300003999500	1	42	-2.0	-132.41	350.50	8.56	-123.85
CCCC1CCC2=C(C1)SC([N-]C(=O)C13CC(C(=O)[O-])(C1)CO3)=N2	REAL300003999504	1	44	-2.0	-102.39	367.32	6.67	-95.72
CCCC1CCC2=C(C1)SC([N-]C(=O)C1(C(=O)[O-])CC1C)=N2	REAL300003999506	1	42	-2.0	-119.24	345.93	8.65	-110.59
C=C1CCC1(C(=O)[O-])C(=O)[N-]C1=NC2=C(CC(CCC)CC2)S1	REAL300003999514	1	43	-2.0	-123.20	359.22	8.71	-114.49
CCCC1CCC2=C(C1)SC([N-]C(=O)[C@@H]1[C@H]3CC[C@H](O3)[C@@H]1C(=O)[O-])=N2	REAL300003999516	1	47	-2.0	-138.96	377.23	7.32	-131.64
CCCC1CCC2=C(C1)SC([N-]C(=O)[C@@]1(C(C)C)C[C@H]1C(=O)[O-])=N2	REAL300003999518	1	48	-2.0	-135.07	386.60	9.19	-125.88
CCCC1CCC2=C(C1)SC([N-]C(=O)C13CCC(C(=O)[O-])(CC1)CC3)=N2	REAL300003999523	1	52	-2.0	-98.16	402.48	10.03	-88.13
O=C([O-])C1(C(=O)[N-]C2=NC=C(CC3=CC=CC(Br)=C3)S2)CC1	REAL300003999524	1	33	-2.0	-115.64	330.74	8.34	-107.30
O=C([O-])C1(C(=O)[N-]C2=NC=C(CC3=CC=CC(Br)=C3)S2)CC1	REAL300003999525	1	33	-2.0	-115.64	330.74	8.34	-107.30
O=C([O-])C1(C(=O)[N-]C2=NC=C(CC3=CC=CC(Br)=C3)S2)CCC1	REAL300003999526	1	36	-2.0	-116.75	344.19	8.75	-108.00
CC(C)(C(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC(Br)=C2)S1	REAL300003999527	1	35	-2.0	-118.53	338.47	8.92	-109.61
O=C([O-])COCC(=O)[N-]C1=NC=C(CC2=CC=CC(Br)=C2)S1	REAL300003999530	1	33	-2.0	-110.24	335.65	7.55	-102.69
COC(C(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC(Br)=C2)S1	REAL300003999539	1	33	-2.0	-118.35	333.96	7.40	-110.95
C[C@]1(C(=O)[N-]C2=NC=C(CC3=CC=CC(Br)=C3)S2)C[C@H]1C(=O)[O-]	REAL300003999540	1	36	-2.0	-128.21	350.31	9.16	-119.05
CC1CC1(C(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC(Br)=C2)S1	REAL300003999542	1	36	-2.0	-116.24	348.39	8.90	-107.34
O=C([O-])C1(C(=O)[N-]C2=NC(C3CC3)=C(CC3=CC=CC=C3Cl)S2)CC1	REAL300003999618	1	40	-2.0	-123.05	365.60	9.68	-113.37
O=C([O-])C1(C(=O)[N-]C2=NC(C3CC3)=C(CC3=CC=CC=C3Cl)S2)CC1	REAL300003999619	1	40	-2.0	-123.05	365.60	9.68	-113.37
O=C([O-])C1(C(=O)[N-]C2=NC(C3CC3)=C(CC3=CC=CC=C3Cl)S2)CCC1	REAL300003999620	1	43	-2.0	-123.66	378.97	10.08	-113.58
CC(C)(C(=O)[O-])C(=O)[N-]C1=NC(C2CC2)=C(CC2=CC=CC=C2Cl)S1	REAL300003999621	1	42	-2.0	-120.59	376.05	10.26	-110.33
O=C([O-])COCC(=O)[N-]C1=NC(C2CC2)=C(CC2=CC=CC=C2Cl)S1	REAL300003999624	1	40	-2.0	-112.43	373.10	8.93	-103.50
COC(C(=O)[O-])C(=O)[N-]C1=NC(C2CC2)=C(CC2=CC=CC=C2Cl)S1	REAL300003999633	1	40	-2.0	-124.23	371.50	8.79	-115.44
C[C@]1(C(=O)[N-]C2=NC(C3CC3)=C(CC3=CC=CC=C3Cl)S2)C[C@H]1C(=O)[O-]	REAL300003999634	1	43	-2.0	-131.88	388.60	10.38	-121.50
CC1CC1(C(=O)[O-])C(=O)[N-]C1=NC(C2CC2)=C(CC2=CC=CC=C2Cl)S1	REAL300003999636	1	43	-2.0	-122.60	380.61	10.60	-112.00
O=C(CCC1=CC=C(C(=O)[O-])C=C1)[N-]C1=NC2=C(COCC2)S1	REAL300003999644	1	37	-2.0	-93.25	330.77	5.79	-87.46
O=C(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)[N-]C1=NC2=C(COCC2)S1	REAL300003999647	1	39	-2.0	-92.19	363.43	0.70	-91.49
O=C(CCC1=CC=CC=C1C(=O)[O-])[N-]C1=NC2=C(COCC2)S1	REAL300003999652	1	37	-2.0	-115.74	322.12	5.52	-110.22
O=C(CC1=CC=CC(C(=O)[O-])=C1)[N-]C1=NC2=C(COCC2)S1	REAL300003999654	1	34	-2.0	-104.20	309.37	4.97	-99.23
O=C([O-])C1CCCC(C(=O)[N-]C2=NC3=C(COCC3)S2)C1	REAL300003999655	1	37	-2.0	-105.20	304.78	4.36	-100.84
O=C([O-])[C@H]1CC[C@H](C(=O)[N-]C2=NC3=C(COCC3)S2)CC1	REAL300003999660	1	37	-2.0	-93.76	311.82	4.54	-89.22
O=C([O-])C1CCC(C(=O)[N-]C2=NC3=C(COCC3)S2)CC1	REAL300003999661	1	37	-2.0	-93.65	311.82	4.54	-89.11
O=C(CC1=CC=C(C(=O)[O-])C=C1)[N-]C1=NC2=C(COCC2)S1	REAL300003999662	1	34	-2.0	-97.26	309.37	4.98	-92.28
O=C(CN1C=C(C(=O)[O-])N=N1)[N-]C1=NC2=C(COCC2)S1	REAL300003999663	1	30	-2.0	-100.33	286.52	0.97	-99.36
O=C(CC1CCC(C(=O)[O-])CC1)[N-]C1=NC2=C(COCC2)S1	REAL300003999672	1	40	-2.0	-99.65	322.34	5.06	-94.59
O=C([O-])C12CCC(C(=O)[N-]C3=NC4=C(COCC4)S3)(CC1)C2	REAL300003999673	1	38	-2.0	-98.08	318.77	4.69	-93.39
O=C([O-])C12CCC(C(=O)[N-]C3=NC4=C(COCC4)S3)(CC1)CC2	REAL300003999674	1	41	-2.0	-92.69	330.26	5.19	-87.50
O=C(CC1CCCC2=CC=C(C(=O)[O-])C=C21)[N-]C1=NC2=C(COCC2)S1	REAL300003999677	1	44	-2.0	-105.97	363.61	7.20	-98.77
O=C(CN1C=C(C(=O)[O-])C=N1)[N-]C1=NC2=C(COCC2)S1	REAL300003999680	1	31	-2.0	-99.00	291.44	2.45	-96.55
O=C([O-])C1(C(=O)[N-]C2=NC3=C(COCC3)S2)CC2(CCC2)C1	REAL300003999682	1	38	-2.0	-118.33	316.52	5.01	-113.32
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)[N-]C2=NC3=C(COCC3)S2)C1	REAL300003999684	1	40	-2.0	-107.08	353.00	4.89	-102.19
O=C([O-])CSCCC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300003999685	1	31	-2.0	-91.28	294.54	3.49	-87.79
C[C@@H]1C[C@H](C(=O)[N-]C2=NC3=C(COCC3)S2)O[C@H]1C(=O)[O-]	REAL300003999688	1	35	-2.0	-104.33	307.08	3.72	-100.61
O=C(COCC1=C(C(=O)[O-])N=CO1)[N-]C1=NC2=C(COCC2)S1	REAL300003999693	1	34	-2.0	-111.57	317.47	-0.06	-111.63
O=C(CN1C=CC(C(=O)[O-])=N1)[N-]C1=NC2=C(COCC2)S1	REAL300003999698	1	31	-2.0	-112.93	290.78	2.48	-110.45
O=C(CCCN1C=CC(C(=O)[O-])=N1)[N-]C1=NC2=C(COCC2)S1	REAL300003999699	1	37	-2.0	-111.07	334.38	3.84	-107.23
O=C([O-])CC[C@@H]1CC[C@H](C(=O)[N-]C2=NC3=C(COCC3)S2)O1	REAL300003999700	1	38	-2.0	-102.38	328.54	4.17	-98.21
O=C(CC[C@@H]1C[C@H](C(=O)[O-])CO1)[N-]C1=NC2=C(COCC2)S1	REAL300003999701	1	38	-2.0	-94.94	326.87	3.12	-91.82
O=C([O-])[C@H]1C2C=CC(CC2)[C@H]1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300003999703	1	39	-2.0	-127.23	309.10	5.58	-121.65
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300003999704	1	37	-2.0	-116.06	299.08	4.94	-111.12
O=C(CN1CCCC(C(=O)[O-])C1)[N-]C1=NC2=C(COCC2)S1	REAL300003999705	1	39	-2.0	-93.53	324.59	2.36	-91.17
O=C([O-])C1(C(=O)[N-]C2=NC3=C(COCC3)S2)CC1C1=CC=CC=C1	REAL300003999706	1	38	-2.0	-117.30	328.12	6.36	-110.94
O=C([O-])C1=CN(CC(=O)[N-]C2=NC3=C(COCC3)S2)C2=CC=CC=C12	REAL300003999708	1	38	-2.0	-107.34	342.72	6.44	-100.90
O=C([O-])C1CC12CC(C(=O)[N-]C1=NC3=C(COCC3)S1)C2	REAL300003999709	1	35	-2.0	-100.85	307.08	4.66	-96.19
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300003999710	1	37	-2.0	-123.78	316.45	5.02	-118.76
O=C([O-])C1CC2(C1)CC(C(=O)[N-]C1=NC3=C(COCC3)S1)C2	REAL300003999716	1	38	-2.0	-93.35	325.66	5.16	-88.19
O=C([O-])C1C(F)(F)C12CC(C(=O)[N-]C1=NC3=C(COCC3)S1)C2	REAL300003999721	1	35	-2.0	-109.06	314.29	5.40	-103.66
O=C(CCC1=CC=CN=C1C(=O)[O-])[N-]C1=NC2=C(COCC2)S1	REAL300003999728	1	36	-2.0	-117.85	318.30	3.76	-114.09
O=C([O-])C12CC(C(=O)[N-]C3=NC4=C(COCC4)S3)(C1)OC2	REAL300003999729	1	33	-2.0	-95.97	295.11	1.84	-94.13
O=C([O-])C1(C(=O)[N-]C2=NC3=C(COCC3)S2)CC2(CCC2)C1	REAL300003999731	1	38	-2.0	-118.33	316.52	5.01	-113.32
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300003999739	1	36	-2.0	-130.67	304.76	2.64	-128.03
CC(C)[C@]1(C(=O)[N-]C2=NC3=C(COCC3)S2)C[C@H]1C(=O)[O-]	REAL300003999741	1	37	-2.0	-123.86	314.12	4.58	-119.28
CC1=CC(C(=O)[O-])=CC=C1CC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300003999742	1	37	-2.0	-97.99	326.08	5.45	-92.54
O=C(CC1=CC(C(=O)[O-])=CS1)[N-]C1=NC2=C(COCC2)S1	REAL300003999743	1	31	-2.0	-100.51	300.92	4.12	-96.39
O=C([O-])C1=CC=C(CC(=O)[N-]C2=NC3=C(COCC3)S2)C=C1F	REAL300003999744	1	34	-2.0	-98.09	313.92	5.00	-93.09
O=C([O-])C12CCC(C(=O)[N-]C3=NC4=C(COCC4)S3)(CC1)CC2	REAL300003999746	1	41	-2.0	-92.69	330.26	5.19	-87.50