CC1=NC(S(=O)(=O)CC2=CC=C(F)C=C2Cl)=NN1	REAL250005014440	0	27	0.0	-15.44	269.52	3.13	-12.31
CC1=NC(S(=O)(=O)CC(=O)NC(C)C(C)C)=NN1	REAL250005014441	0	36	0.0	-22.64	307.04	0.28	-22.36
CC1=NC(S(=O)(=O)CC2=CC=CC=C2Cl)=NN1	REAL250005014442	0	27	0.0	-16.21	263.17	3.06	-13.15
COC1=CC=CC(CS(=O)(=O)C2=NNC(C)=N2)=C1	REAL250005014443	0	31	0.0	-17.81	279.19	1.91	-15.90
CC1=NC(S(=O)(=O)CC2=CC=CC(Cl)=C2)=NN1	REAL250005014444	0	27	0.0	-16.44	266.42	3.12	-13.32
CC1=NC(S(=O)(=O)CC2=C(F)C=CC=C2Cl)=NN1	REAL250005014445	0	27	0.0	-16.68	268.57	3.07	-13.61
CC1=NC(S(=O)(=O)CC(=O)N2CCOCC2)=NN1	REAL250005014446	0	32	0.0	-23.53	278.04	-1.27	-24.80
CC1=NC(S(=O)(=O)C(C)C(=O)NCC(C)C)=NN1	REAL250005014447	0	36	0.0	-21.03	307.61	0.42	-20.61
CC1=NC(S(=O)(=O)C(C)C(=O)NC(C)(C)C)=NN1	REAL250005014448	0	36	0.0	-21.41	301.72	-0.10	-21.51
CC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC=C2)=NN1	REAL250005014449	0	34	0.0	-19.89	304.70	1.67	-18.22
CC1=NC(S(=O)(=O)CC2=NOC(C(C)(C)C)=N2)=NN1	REAL250005014450	0	34	0.0	-18.06	303.12	-0.09	-18.15
CC1=NC(S(=O)(=O)CC2=CC(=O)N(C)C(=O)N2C)=NN1	REAL250005014451	0	33	0.0	-21.58	287.89	0.72	-20.86
CC1=NC(S(=O)(=O)CC2=NC(C3=CC=CO3)=NO2)=NN1	REAL250005014452	0	29	0.0	-21.45	282.06	-0.74	-22.19
CC1=NC(S(=O)(=O)CC2=CC=C(Cl)C=C2)=NN1	REAL250005014453	0	27	0.0	-16.08	266.42	3.13	-12.95
CC1=NC(S(=O)(=O)CC2=CC(C)=CC=C2C)=NN1	REAL250005014454	0	33	0.0	-15.76	286.90	3.86	-11.90
CC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CO2)=NN1	REAL250005014455	0	31	0.0	-22.81	289.86	-0.89	-23.70
CCOC1=CC=CC=C1CS(=O)(=O)C1=NNC(C)=N1	REAL250005014456	0	34	0.0	-17.54	299.71	2.91	-14.63
CC1=NC(S(=O)(=O)CC2=CC=CC=C2C)=NN1	REAL250005014457	0	30	0.0	-15.76	265.36	3.20	-12.56
CC1=NC(S(=O)(=O)CC2=CC=CC(F)=C2)=NN1	REAL250005014458	0	27	0.0	-16.98	256.10	2.68	-14.30
CC1=NC(S(=O)(=O)CC(=O)N2CCCCC2)=NN1	REAL250005014459	0	34	0.0	-22.74	286.92	1.19	-21.55
CCCCNC(=O)CS(=O)(=O)C1=NNC(C)=N1	REAL250005014460	0	33	0.0	-22.56	292.20	-0.49	-23.05
CC1=NC(S(=O)(=O)CC(=O)NCC(C)C)=NN1	REAL250005014461	0	33	0.0	-22.40	289.58	-0.52	-22.92
CC1=NC(S(=O)(=O)CC(=O)N(C(C)C)C(C)C)=NN1	REAL250005014462	0	39	0.0	-21.76	312.89	1.79	-19.97
CC1=CC(NC(=O)C(C)S(=O)(=O)C2=NNC(C)=N2)=NO1	REAL250005014463	0	33	0.0	-21.17	298.04	0.68	-20.49
CC1=CC(NC(=O)CS(=O)(=O)C2=NNC(C)=N2)=NO1	REAL250005014464	0	30	0.0	-22.80	279.36	0.05	-22.75
COC1=CC=CC=C1CS(=O)(=O)C1=NNC(C)=N1	REAL250005014465	0	31	0.0	-17.64	277.86	1.98	-15.66
CC1=NC(S(=O)(=O)CC2=CC(C)=CC=C2)=NN1	REAL250005014466	0	30	0.0	-16.21	271.09	3.28	-12.93
CC1=NC(S(=O)(=O)CC(=O)N2CCCC2)=NN1	REAL250005014467	0	31	0.0	-23.07	273.29	0.40	-22.67
CC1=NC(S(=O)(=O)CC2=C(C)ON=C2C)=NN1	REAL250005014468	0	29	0.0	-17.86	267.41	1.46	-16.40
CCC(C)(C)NC(=O)C(C)S(=O)(=O)C1=NNC(C)=N1	REAL250005014469	0	39	0.0	-20.93	315.28	0.64	-20.29
CCN(CC)C(=O)C(C)S(=O)(=O)C1=NNC(C)=N1	REAL250005014470	0	36	0.0	-21.50	302.19	1.84	-19.66
CC1=NC(S(=O)(=O)CCCOC2=CC=C(F)C=C2)=NN1	REAL250005014471	0	34	0.0	-18.40	307.57	3.05	-15.35
CCCC(C)NC(=O)C(C)S(=O)(=O)C1=NNC(C)=N1	REAL250005014472	0	39	0.0	-21.34	329.99	1.45	-19.89
CC1=NC(S(=O)(=O)CC2=CSC(C(C)C)=N2)=NN1	REAL250005014473	0	32	0.0	-17.80	297.47	1.61	-16.19
CC1=NC(S(=O)(=O)CC2=CC=CC(C(N)=O)=C2)=NN1	REAL250005014474	0	31	0.0	-23.97	284.23	-0.63	-24.60
CC1=NC(S(=O)(=O)CC(=O)N2CCCC(C)C2)=NN1	REAL250005014475	0	37	0.0	-22.77	307.76	1.76	-21.01
CC1=NC(S(=O)(=O)CC(=O)N2CCC(C)CC2)=NN1	REAL250005014476	0	37	0.0	-22.56	307.72	1.78	-20.78
CC1=NC(S(=O)(=O)CCCC(=O)N(C)C)=NN1	REAL250005014477	0	33	0.0	-23.93	288.25	0.66	-23.27
CC1=NC(S(=O)(=O)CCOC2=CC=CC=C2)=NN1	REAL250005014478	0	31	0.0	-15.57	279.65	2.19	-13.38
CC1=NC(S(=O)(=O)CC2=NC(C3CC3)=NO2)=NN1	REAL250005014479	0	29	0.0	-18.59	272.65	-0.29	-18.88
CC1=NC(S(=O)(=O)CC2=CC=C(C(C)(C)C)C=C2)=NN1	REAL250005014480	0	39	0.0	-15.80	325.88	4.94	-10.86
CCCN(CCC)C(=O)CS(=O)(=O)C1=NNC(C)=N1	REAL250005014481	0	39	0.0	-22.14	330.26	2.56	-19.58
CC1=NC(S(=O)(=O)C(C)C(=O)NC2CC2)=NN1	REAL250005014482	0	31	0.0	-21.68	277.99	-0.53	-22.21
CC1=NC(S(=O)(=O)CC(=O)N2CCCCCC2)=NN1	REAL250005014483	0	37	0.0	-22.49	300.58	2.11	-20.38
CC1=NC(S(=O)(=O)CC(=O)N2CCNC(=O)C2)=NN1	REAL250005014484	0	32	0.0	-25.35	284.27	-2.76	-28.11
CCCCCNC(=O)CS(=O)(=O)C1=NNC(C)=N1	REAL250005014485	0	36	0.0	-22.64	313.70	0.29	-22.35
CC1=NC(S(=O)(=O)CC(=O)NCC2CCCO2)=NN1	REAL250005014486	0	35	0.0	-22.56	306.26	-1.73	-24.29
CCCCCCNC(=O)CS(=O)(=O)C1=NNC(C)=N1	REAL250005014487	0	39	0.0	-22.61	335.20	1.07	-21.54
CCCCC1=NOC(CS(=O)(=O)C2=NNC(C)=N2)=N1	REAL250005014488	0	34	0.0	-17.91	305.74	0.35	-17.56
CC1=NC(S(=O)(=O)CC2=NC(C(C)C)=NO2)=NN1	REAL250005014489	0	31	0.0	-18.04	283.56	-0.74	-18.78
COCCCNC(=O)CS(=O)(=O)C1=NNC(C)=N1	REAL250005014490	0	34	0.0	-23.18	304.38	-2.20	-25.38
CCC(C)NC(=O)CS(=O)(=O)C1=NNC(C)=N1	REAL250005014491	0	33	0.0	-22.68	290.46	-0.26	-22.94
CCN(CC)C(=O)CS(=O)(=O)C1=NNC(C)=N1	REAL250005014492	0	33	0.0	-22.63	287.27	1.04	-21.59
CC1=NC(S(=O)(=O)CC(=O)N2CCCCC2C)=NN1	REAL250005014493	0	37	0.0	-21.89	301.45	1.79	-20.10
CCC1=NOC(CS(=O)(=O)C2=NNC(C)=N2)=N1	REAL250005014494	0	28	0.0	-18.14	262.74	-1.20	-19.34
CCCC1=NOC(CS(=O)(=O)C2=NNC(C)=N2)=N1	REAL250005014495	0	31	0.0	-17.83	284.24	-0.43	-18.26
CC1=NC(S(=O)(=O)CC(=O)NCC2CC2)=NN1	REAL250005014496	0	31	0.0	-22.49	280.74	-0.47	-22.96
CC1=NOC(C(C)S(=O)(=O)C2=NNC(C)=N2)=N1	REAL250005014497	0	28	0.0	-16.55	259.99	-1.33	-17.88
CC1=NC(S(=O)(=O)C(C)C(=O)NC2CCCC2)=NN1	REAL250005014498	0	37	0.0	-21.63	311.89	0.77	-20.86
CC1=NC(S(=O)(=O)C(C)C(=O)N2CCCCC2)=NN1	REAL250005014499	0	37	0.0	-21.51	303.07	1.99	-19.52
CCC(CC)NC(=O)C(C)S(=O)(=O)C1=NNC(C)=N1	REAL250005014500	0	39	0.0	-21.12	322.34	1.23	-19.89
COCCCNC(=O)C(C)S(=O)(=O)C1=NNC(C)=N1	REAL250005014501	0	37	0.0	-21.86	322.40	-1.26	-23.12
CC1=NC(S(=O)(=O)C(C)C(=O)NCCC(C)C)=NN1	REAL250005014502	0	39	0.0	-21.21	327.80	0.96	-20.25
COC1=CC=C(C)C=C1CS(=O)(=O)C1=NNC(C)=N1	REAL250005014503	0	34	0.0	-17.54	299.26	2.65	-14.89
CC1=NC(S(=O)(=O)CC2=NOC(C3=CC=CO3)=C2)=NN1	REAL250005014504	0	30	0.0	-19.34	287.42	1.79	-17.55
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC=C2)=NN1	REAL250005014505	0	34	0.0	-22.44	301.06	1.76	-20.68
CC1=NC(S(=O)(=O)CC2=CC=C(Cl)S2)=NN1	REAL250005014506	0	24	0.0	-15.54	256.95	2.32	-13.22
CCCNC(=O)C(C)S(=O)(=O)C1=NNC(C)=N1	REAL250005014507	0	33	0.0	-21.38	288.74	-0.32	-21.70
CC1=NC(S(=O)(=O)CC(=O)NC2CCCC2)=NN1	REAL250005014508	0	34	0.0	-22.54	293.21	0.15	-22.39
CC1=NC(S(=O)(=O)CC2=CC=C(C(N)=O)C=C2)=NN1	REAL250005014509	0	31	0.0	-22.38	284.23	-0.61	-22.99
CC1=NC(S(=O)(=O)CC(=O)N(C)C2=CC=CC=C2)=NN1	REAL250005014510	0	34	0.0	-24.61	305.19	2.62	-21.99
CCC(C)NC(=O)C(C)S(=O)(=O)C1=NNC(C)=N1	REAL250005014511	0	36	0.0	-21.52	308.49	0.67	-20.85
CCCCCNC(=O)C(C)S(=O)(=O)C1=NNC(C)=N1	REAL250005014512	0	39	0.0	-21.27	331.73	1.23	-20.04
CCCCNC(=O)C(C)S(=O)(=O)C1=NNC(C)=N1	REAL250005014513	0	36	0.0	-21.22	310.23	0.45	-20.77
CC1=NC(S(=O)(=O)CCCC2=CC=CC=C2)=NN1	REAL250005014514	0	33	0.0	-16.92	292.68	4.17	-12.75
CC1=NC(S(=O)(=O)CC(=O)NC2=CC(C)=CC=C2)=NN1	REAL250005014515	0	34	0.0	-23.95	304.72	1.54	-22.41
CC1=NC(S(=O)(=O)CC2=CC=C(C#N)C=C2)=NN1	REAL250005014516	0	28	0.0	-18.86	270.55	3.00	-15.86
CC1=NC(S(=O)(=O)CC2=CC=C(C)C=C2)=NN1	REAL250005014517	0	30	0.0	-16.19	271.09	3.29	-12.90
CC1=NC(S(=O)(=O)CC2=CC=CC3=CC=CC=C32)=NN1	REAL250005014518	0	33	0.0	-17.65	292.17	4.74	-12.91
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC=C2C)=NN1	REAL250005014519	0	34	0.0	-23.99	300.82	1.71	-22.28
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C)C=C2)=NN1	REAL250005014520	0	34	0.0	-24.19	304.43	1.54	-22.65
C=C(C)CN(CC)C(=O)CS(=O)(=O)C1=NNC(C)=N1	REAL250005014521	0	37	0.0	-22.23	321.56	2.27	-19.96
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC=C2)=NN1	REAL250005014522	0	31	0.0	-24.11	283.29	0.87	-23.24
CC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CC=C2)=NN1	REAL250005014523	0	34	0.0	-22.08	309.11	0.98	-21.10
CC1=NC(S(=O)(=O)CC2=CC=CC=C2F)=NN1	REAL250005014524	0	27	0.0	-17.54	255.00	2.63	-14.91
CC1=NC(S(=O)(=O)CC(=O)NCC(F)(F)F)=NN1	REAL250005014525	0	27	0.0	-21.48	268.52	-1.57	-23.05
COC1=CC=C(CS(=O)(=O)C2=NNC(C)=N2)C=C1F	REAL250005014527	0	31	0.0	-19.40	285.42	1.99	-17.41
CC1=NC(S(=O)(=O)CC2=NC3=CC=CC=C3S2)=NN1	REAL250005014528	0	29	0.0	-19.36	281.35	2.03	-17.33
CC1=NC(S(=O)(=O)CC2=NC(N)=NC(N(C)C)=N2)=NN1	REAL250005014529	0	34	0.0	-20.21	306.37	3.06	-17.15
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC(F)=C2)=NN1	REAL250005014530	0	31	0.0	-27.17	289.44	0.93	-26.24
CC1=NC(S(=O)(=O)CC2=CC=C(F)C=C2)=NN1	REAL250005014531	0	27	0.0	-16.52	256.09	2.67	-13.85
CC1=NC(S(=O)(=O)C(C)C2=CC=C(F)C=C2)=NN1	REAL250005014532	0	30	0.0	-15.27	269.36	3.09	-12.18
COC1=CC=C(F)C=C1CS(=O)(=O)C1=NNC(C)=N1	REAL250005014533	0	31	0.0	-17.51	284.26	2.04	-15.47
CCCCN1N=NN=C1CS(=O)(=O)C1=NNC(C)=N1	REAL250005014534	0	34	0.0	-20.28	303.46	1.04	-19.24
CCCN1N=NN=C1CS(=O)(=O)C1=NNC(C)=N1	REAL250005014535	0	31	0.0	-20.38	281.96	0.25	-20.13
CCC1=NC(CS(=O)(=O)C2=NNC(C)=N2)=CS1	REAL250005014536	0	29	0.0	-17.85	277.75	1.05	-16.80
CCCC1=NC(CS(=O)(=O)C2=NNC(C)=N2)=CS1	REAL250005014537	0	32	0.0	-17.68	299.25	1.83	-15.85
CC1=NC(S(=O)(=O)CC2=NC(C(C)(C)C)=NO2)=NN1	REAL250005014538	0	34	0.0	-18.06	302.98	-0.19	-18.25
CC1=NC(S(=O)(=O)C(C)C2=NC(C(C)C)=NO2)=NN1	REAL250005014539	0	34	0.0	-16.02	301.80	-0.33	-16.35
CC1=NC(S(=O)(=O)CC2=NN=NN2C2CC2)=NN1	REAL250005014540	0	29	0.0	-21.93	270.71	0.20	-21.73
CC1=NC(S(=O)(=O)CC2=CN3C=CC=C(C)C3=N2)=NN1	REAL250005014541	0	33	0.0	-23.64	298.11	3.67	-19.97
CC1=NC(S(=O)(=O)C(C)C2=CC=CC=C2F)=NN1	REAL250005014542	0	30	0.0	-14.83	269.01	3.19	-11.64
CC1=NC(S(=O)(=O)CC2=CSC(C)=N2)=NN1	REAL250005014543	0	26	0.0	-18.13	256.27	0.29	-17.84
CC1=NC(S(=O)(=O)CCC(=O)NC2CCCC2)=NN1	REAL250005014544	0	37	0.0	-18.38	314.89	0.94	-17.44
CC1=NC(S(=O)(=O)CCOCCC(C)C)=NN1	REAL250005014545	0	36	0.0	-14.13	305.86	1.71	-12.42
CC1=NC(S(=O)(=O)CC(=O)N(C)C2CC2)=NN1	REAL250005014546	0	31	0.0	-23.51	273.58	0.57	-22.94
CC1=NC(S(=O)(=O)CCCN2CCCC2=O)=NN1	REAL250005014547	0	34	0.0	-22.93	297.33	1.45	-21.48
CC1=NC(S(=O)(=O)CCCN2C(=O)CNC2=O)=NN1	REAL250005014548	0	32	0.0	-23.68	292.68	-1.68	-25.36
CC1=NC(S(=O)(=O)CC2=NOC(C3CC3)=N2)=NN1	REAL250005014549	0	29	0.0	-18.67	272.88	-0.40	-19.07
CCCC1=NC(CS(=O)(=O)C2=NNC(C)=N2)=NO1	REAL250005014550	0	31	0.0	-18.45	284.24	-0.42	-18.87
CC1=NC(S(=O)(=O)CCCOCC(F)(F)F)=NN1	REAL250005014551	0	30	0.0	-19.47	286.37	0.87	-18.60
CC1=NC(S(=O)(=O)CC2=NOC(C(C)C)=N2)=NN1	REAL250005014552	0	31	0.0	-18.20	283.56	-0.59	-18.79
CCCCC1=NC(CS(=O)(=O)C2=NNC(C)=N2)=NO1	REAL250005014553	0	34	0.0	-18.59	305.74	0.37	-18.22
CCC1=NC(CS(=O)(=O)C2=NNC(C)=N2)=NO1	REAL250005014554	0	28	0.0	-18.96	262.74	-1.19	-20.15
CCCC1=CC=C(CS(=O)(=O)C2=NNC(C)=N2)C=C1	REAL250005014555	0	36	0.0	-15.88	314.07	4.83	-11.05
CC1=NC(S(=O)(=O)CC2=NC(CCC(C)C)=NO2)=NN1	REAL250005014556	0	37	0.0	-17.77	323.31	0.87	-16.90
CC1=NC(S(=O)(=O)CCC2=CC=CC=C2Cl)=NN1	REAL250005014557	0	30	0.0	-15.73	283.76	3.76	-11.97
CC1=NC(S(=O)(=O)C(C)C2=NN=C(C)O2)=NN1	REAL250005014558	0	28	0.0	-20.48	260.41	-3.94	-24.42
CC1=NC(S(=O)(=O)CC2=CC=C(Cl)N=C2)=NN1	REAL250005014559	0	26	0.0	-18.42	261.40	1.25	-17.17
CC(=O)NC1=CC=CC(CS(=O)(=O)C2=NNC(C)=N2)=C1	REAL250005014560	0	34	0.0	-21.33	305.50	1.51	-19.82
CC1=NC(S(=O)(=O)CC2=CC=C(CC(C)C)C=C2)=NN1	REAL250005014561	0	39	0.0	-15.71	330.83	5.30	-10.41
CC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC=C2)=NN1	REAL250005014562	0	34	0.0	-19.89	304.70	1.67	-18.22
CC1=NC(S(=O)(=O)CC2=CC=CC3=C2OCCO3)=NN1	REAL250005014563	0	33	0.0	-18.96	292.77	1.81	-17.15
CC1=NC(S(=O)(=O)CC(=O)NC2CCOCC2)=NN1	REAL250005014564	0	35	0.0	-23.21	302.40	-1.73	-24.94
CC1=NC(S(=O)(=O)CC2=C(C)C=C(C)C=C2C)=NN1	REAL250005014565	0	36	0.0	-15.36	302.46	4.44	-10.92
CC1=NC(S(=O)(=O)CCCS(N)(=O)=O)=NN1	REAL250005014566	0	28	0.0	-28.09	268.00	-4.62	-32.71
CC1=NC(S(=O)(=O)CCCS(=O)(=O)N(C)C)=NN1	REAL250005014567	0	34	0.0	-24.80	308.34	-1.51	-26.31
CC1=NC(S(=O)(=O)CC2=C(Cl)N(C)N=C2C)=NN1	REAL250005014568	0	30	0.0	-17.12	287.84	1.24	-15.88
CC1=NC(S(=O)(=O)CCCS(C)(=O)=O)=NN1	REAL250005014569	0	29	0.0	-28.31	274.91	-2.08	-30.39
CC1=NC(S(=O)(=O)CC2=C(Cl)SN=N2)=NN1	REAL250005014570	0	22	0.0	-16.25	244.57	-0.45	-16.70
CC1=NC(S(=O)(=O)CCS(C)(=O)=O)=NN1	REAL250005014571	0	26	0.0	-23.89	253.41	-2.86	-26.75
CC1=CN(CCCCCS(=O)(=O)C2=NNC(C)=N2)N=C1	REAL250005014572	0	39	0.0	-21.15	338.54	3.60	-17.55
CC1=NC(S(=O)(=O)CC2=CC(C)=CC(C)=C2)=NN1	REAL250005014573	0	33	0.0	-16.17	292.50	3.93	-12.24
CC1=NC(S(=O)(=O)CCCCC(=O)N(C)C)=NN1	REAL250005014574	0	36	0.0	-21.07	310.15	1.44	-19.63
COCCC1=NOC(CS(=O)(=O)C2=NNC(C)=N2)=N1	REAL250005014575	0	32	0.0	-18.09	296.42	-2.13	-20.22
CC1=NC(S(=O)(=O)CC2=NC=C(Cl)N2C)=NN1	REAL250005014576	0	27	0.0	-18.05	265.26	1.34	-16.71
CC1=NOC(NC(=O)C(C)S(=O)(=O)C2=NNC(C)=N2)=C1	REAL250005014577	0	33	0.0	-28.35	300.76	0.15	-28.20
CC1=NC(S(=O)(=O)CC2=CC=CC(C#N)=C2)=NN1	REAL250005014578	0	28	0.0	-19.55	270.54	2.99	-16.56
CC1=NC(S(=O)(=O)CC(=O)NCC2CCC2)=NN1	REAL250005014579	0	34	0.0	-22.41	297.44	0.03	-22.38
CNC(=O)C1=CC=C(CS(=O)(=O)C2=NNC(C)=N2)C=C1	REAL250005014580	0	34	0.0	-22.52	306.16	0.88	-21.64
CCCCNC(=O)CCS(=O)(=O)C1=NNC(C)=N1	REAL250005014581	0	36	0.0	-18.51	313.87	0.31	-18.20
CCC1=NN=C(C(C)S(=O)(=O)C2=NNC(C)=N2)O1	REAL250005014582	0	31	0.0	-19.59	281.15	-3.19	-22.78
CC1=NC(S(=O)(=O)CC2=NOC3=C2CCCC3)=NN1	REAL250005014583	0	33	0.0	-18.43	288.04	2.61	-15.82
CCC(C1=CC=CC=C1)S(=O)(=O)C1=NNC(C)=N1	REAL250005014584	0	33	0.0	-15.03	283.30	3.75	-11.28
CC1=NC(S(=O)(=O)CC2=CC=C3CCCC3=C2)=NN1	REAL250005014585	0	34	0.0	-16.51	295.20	4.52	-11.99
CC1=NC(S(=O)(=O)CC2=NN(C(C)C)C=C2)=NN1	REAL250005014586	0	33	0.0	-19.93	292.77	1.66	-18.27
CNC(=O)C1=CC=CC(CS(=O)(=O)C2=NNC(C)=N2)=C1	REAL250005014587	0	34	0.0	-24.12	306.16	0.87	-23.25
CC1=NC(S(=O)(=O)CC2=C(C)C=CC=C2C)=NN1	REAL250005014588	0	33	0.0	-15.39	279.82	3.82	-11.57
CC1=NC(S(=O)(=O)C(C)C2=CC=CC=C2)=NN1	REAL250005014589	0	30	0.0	-15.47	263.67	3.05	-12.42
CC1=NC(S(=O)(=O)C(C)C2=CC=C(F)C(F)=C2)=NN1	REAL250005014590	0	30	0.0	-15.51	276.38	3.19	-12.32
CC1=NC(S(=O)(=O)CCC2=CC=C(C)C=C2)=NN1	REAL250005014591	0	33	0.0	-15.50	292.59	4.07	-11.43
CC1=NC(S(=O)(=O)CCCC2=CC=C(Cl)C=C2)=NN1	REAL250005014592	0	33	0.0	-17.70	309.41	4.69	-13.01
CCC(C1=CC=C(F)C=C1)S(=O)(=O)C1=NNC(C)=N1	REAL250005014593	0	33	0.0	-14.99	290.17	3.79	-11.20
CCC1=NOC(C(C)S(=O)(=O)C2=NNC(C)=N2)=N1	REAL250005014594	0	31	0.0	-16.15	280.97	-0.79	-16.94
CC1=NC(S(=O)(=O)CCN2CCCC2=O)=NN1	REAL250005014595	0	31	0.0	-21.43	275.83	0.66	-20.77
CC1=NC(S(=O)(=O)CC2=CC=C(F)C(F)=C2)=NN1	REAL250005014596	0	27	0.0	-18.04	262.39	2.72	-15.32
CC1=NC(S(=O)(=O)CC2=CC=CC(Cl)=N2)=NN1	REAL250005014597	0	26	0.0	-19.64	261.55	1.19	-18.45
CC1=NC(S(=O)(=O)CC2=NN=C(C3CC3)O2)=NN1	REAL250005014598	0	29	0.0	-20.16	273.19	-2.83	-22.99
CC1=NC(S(=O)(=O)CCOC2CCCCCC2)=NN1	REAL250005014599	0	40	0.0	-13.97	318.49	2.72	-11.25
CCC1=CN=C(CS(=O)(=O)C2=NNC(C)=N2)O1	REAL250005014600	0	29	0.0	-18.83	268.58	-1.09	-19.92
CC1=NC(S(=O)(=O)CC2=C(C)N=C(C)S2)=NN1	REAL250005014601	0	29	0.0	-17.02	275.16	1.04	-15.98
CC1=NC(S(=O)(=O)C(C)C2=CC(C)=CC=C2)=NN1	REAL250005014602	0	33	0.0	-15.11	284.37	3.69	-11.42
CC1=NC(S(=O)(=O)CCCC2CCCC2)=NN1	REAL250005014603	0	36	0.0	-15.00	296.98	3.76	-11.24
CC1=NC(S(=O)(=O)CCC2CCCCC2)=NN1	REAL250005014604	0	36	0.0	-14.74	291.97	3.56	-11.18
COCC1=NC(CS(=O)(=O)C2=NNC(C)=N2)=CS1	REAL250005014605	0	30	0.0	-19.15	289.93	-0.67	-19.82
CC1=NC(S(=O)(=O)CCCC(C)(C)C#N)=NN1	REAL250005014606	0	33	0.0	-19.50	287.27	2.45	-17.05
CC1=NC(S(=O)(=O)C(C)C(=O)N(C)C(C)C)=NN1	REAL250005014607	0	36	0.0	-21.90	298.50	1.41	-20.49
COC(C)C1=NOC(CS(=O)(=O)C2=NNC(C)=N2)=N1	REAL250005014608	0	32	0.0	-19.46	295.18	-2.29	-21.75
CC1=NC(S(=O)(=O)C(C)C2=NC=C(C(C)(C)C)O2)=NN1	REAL250005014609	0	38	0.0	-17.68	325.70	0.54	-17.14
CC1=NC(S(=O)(=O)CCC2=C(C)N=CS2)=NN1	REAL250005014610	0	29	0.0	-16.60	275.16	1.13	-15.47
CC1=NC(S(=O)(=O)CC2=CC=C(F)C=C2F)=NN1	REAL250005014611	0	27	0.0	-16.70	261.41	2.70	-14.00
CC1=NC(S(=O)(=O)CC2CC3=CC=CC=C3O2)=NN1	REAL250005014612	0	32	0.0	-19.95	284.50	2.67	-17.28
CC1=NC(S(=O)(=O)CC2=NN(C3CCCC3)C=C2)=NN1	REAL250005014613	0	37	0.0	-19.29	315.48	2.93	-16.36
CC1=CSC(CS(=O)(=O)C2=NNC(C)=N2)=N1	REAL250005014614	0	26	0.0	-17.41	256.27	0.31	-17.10
CC1=NC(S(=O)(=O)CC2=NC(C)=C(C)S2)=NN1	REAL250005014615	0	29	0.0	-17.85	275.17	1.02	-16.83
CC1=NC(S(=O)(=O)CC2=CC=CC([N+](=O)[O-])=C2)=NN1	REAL250005014616	0	29	0.0	-21.28	277.90	3.28	-18.00
CC1=NC(S(=O)(=O)CCCCS(C)(=O)=O)=NN1	REAL250005014617	0	32	0.0	-25.77	296.41	-1.30	-27.07
CC1=NC(S(=O)(=O)CC(C)CS(C)(=O)=O)=NN1	REAL250005014618	0	32	0.0	-27.23	285.06	-1.22	-28.45
CC1=NC(S(=O)(=O)CC2=NC=C(C(C)C)O2)=NN1	REAL250005014619	0	32	0.0	-18.73	289.37	-0.44	-19.17
CCC1=NOC(C)=C1CS(=O)(=O)C1=NNC(C)=N1	REAL250005014620	0	32	0.0	-17.20	281.07	2.29	-14.91
CC1=NC(S(=O)(=O)CC(=O)NCCC(C)(C)C)=NN1	REAL250005014621	0	39	0.0	-22.51	325.94	0.39	-22.12
CC1=CC(CS(=O)(=O)C2=NNC(C)=N2)=NN1C	REAL250005014622	0	30	0.0	-20.55	272.05	0.74	-19.81
CC1=NC(S(=O)(=O)CC2=CC3=CC=CC=C3O2)=NN1	REAL250005014623	0	30	0.0	-19.47	277.57	3.11	-16.36
CC1=NC(S(=O)(=O)CCNC(=O)C2CCCC2)=NN1	REAL250005014624	0	37	0.0	-21.46	315.24	0.63	-20.83
CC1=NC(S(=O)(=O)CC2=CN=C(Cl)S2)=NN1	REAL250005014625	0	23	0.0	-16.44	251.52	0.34	-16.10
CC1=NC(S(=O)(=O)CCC2CC(C)CC(C)C2)=NN1	REAL250005014626	0	42	0.0	-14.68	326.60	4.53	-10.15
CC1=NC(S(=O)(=O)CCCS(=O)(=O)C(C)C)=NN1	REAL250005014627	0	35	0.0	-27.21	313.44	-0.60	-27.81
CC1=NC(S(=O)(=O)C(C)C2=CC=CC(Cl)=C2)=NN1	REAL250005014628	0	30	0.0	-14.44	279.69	3.54	-10.90
CC1=NC(S(=O)(=O)CCCOC(=O)NC(N)=O)=NN1	REAL250005014629	0	32	0.0	-27.61	296.89	-3.42	-31.03
CCC(CC)N1C=CC(CS(=O)(=O)C2=NNC(C)=N2)=N1	REAL250005014630	0	39	0.0	-19.67	329.89	3.01	-16.66
CC1=NC(S(=O)(=O)CC2=CC=NC(C#N)=C2)=NN1	REAL250005014631	0	27	0.0	-20.85	265.55	1.14	-19.71
CC1=NC(S(=O)(=O)C2CCC3=C(Cl)C=CC=C32)=NN1	REAL250005014632	0	31	0.0	-15.25	286.99	4.17	-11.08
CC1=NC(S(=O)(=O)CC2=NC(C3CCCC3)=NO2)=NN1	REAL250005014633	0	35	0.0	-17.92	306.62	0.47	-17.45
CC1=NC(S(=O)(=O)CC2=C(C)SC(C)=N2)=NN1	REAL250005014634	0	29	0.0	-17.85	275.16	1.00	-16.85
COC1=CC=CC=C1CCCS(=O)(=O)C1=NNC(C)=N1	REAL250005014635	0	37	0.0	-17.74	321.01	3.53	-14.21
COCC1=NC(CS(=O)(=O)C2=NNC(C)=N2)=NO1	REAL250005014636	0	29	0.0	-20.47	274.92	-2.90	-23.37
CC1=NC(S(=O)(=O)CC2=NN=C(C)S2)=NN1	REAL250005014637	0	25	0.0	-19.82	250.88	-0.62	-20.44
CC1=NC(S(=O)(=O)CC2=CC=C(CF)C=C2)=NN1	REAL250005014638	0	30	0.0	-17.89	277.67	3.43	-14.46
CC1=NC(S(=O)(=O)CC(=O)NC2=C(C)NN=C2C)=NN1	REAL250005014639	0	34	0.0	-27.34	311.09	-1.52	-28.86
CC1=NC(S(=O)(=O)CC2=NN=C(C)N2C)=NN1	REAL250005014640	0	29	0.0	-24.02	265.08	1.43	-22.59
CCCN1C(C)=NN=C1CS(=O)(=O)C1=NNC(C)=N1	REAL250005014641	0	35	0.0	-22.74	307.88	3.06	-19.68
CC1=NC(S(=O)(=O)CC2=NC=NN2CC(C)C)=NN1	REAL250005014642	0	35	0.0	-18.73	307.08	3.21	-15.52
CC1=CN=C(CS(=O)(=O)C2=NNC(C)=N2)S1	REAL250005014643	0	26	0.0	-17.35	256.39	0.51	-16.84
CC1=NC(S(=O)(=O)CC2=C(C(C)C)OC=N2)=NN1	REAL250005014644	0	32	0.0	-18.84	286.79	-0.67	-19.51
CC1=NC(S(=O)(=O)CC2=CC=C(CO)C=C2)=NN1	REAL250005014645	0	31	0.0	-18.13	282.50	-0.05	-18.18
CC1=CN=C(C(C)S(=O)(=O)C2=NNC(C)=N2)O1	REAL250005014646	0	29	0.0	-18.67	265.63	-1.30	-19.97
CC1=NC(S(=O)(=O)CC2=NC(C)=CC=N2)=NN1	REAL250005014647	0	28	0.0	-20.08	261.34	0.40	-19.68
CC1=NC(S(=O)(=O)CCC2=C(C)ON=C2C)=NN1	REAL250005014648	0	32	0.0	-18.07	288.46	2.17	-15.90
CC1=NC(S(=O)(=O)CC2=CSC(C3CC3)=N2)=NN1	REAL250005014649	0	30	0.0	-18.23	286.16	1.80	-16.43
CC1=NC(S(=O)(=O)CC2=NC=C(C3CC3)O2)=NN1	REAL250005014650	0	30	0.0	-18.92	278.71	-0.26	-19.18
CC1=NC(S(=O)(=O)CC2=NN=C(C(F)F)S2)=NN1	REAL250005014651	0	25	0.0	-18.14	264.02	-0.36	-18.50
CC1=NC(S(=O)(=O)CC2=CC=C(C(F)F)C=C2)=NN1	REAL250005014652	0	30	0.0	-17.89	281.86	3.48	-14.41
CC1=NC(S(=O)(=O)CCCOCC2=CC=CC=C2)=NN1	REAL250005014653	0	37	0.0	-18.13	326.71	3.45	-14.68
CC1=NC(S(=O)(=O)CCCC2=CC=CC=C2Cl)=NN1	REAL250005014654	0	33	0.0	-17.29	305.35	4.54	-12.75
CCC1=NN=C(CS(=O)(=O)C2=NNC(C)=N2)S1	REAL250005014655	0	28	0.0	-19.38	272.36	0.14	-19.24
CC1=NC(S(=O)(=O)CC2=NN=NN2CC2CC2)=NN1	REAL250005014656	0	32	0.0	-21.47	286.03	1.13	-20.34
COCC1=NOC(C(C)S(=O)(=O)C2=NNC(C)=N2)=N1	REAL250005014657	0	32	0.0	-18.03	293.66	-2.36	-20.39
CC1=NC(S(=O)(=O)CC2=NC(C3CC3)=CS2)=NN1	REAL250005014658	0	30	0.0	-17.56	285.32	1.78	-15.78
CC1=NC(S(=O)(=O)CC2=CC=C(C)C(C)=C2)=NN1	REAL250005014659	0	33	0.0	-16.42	288.09	3.81	-12.61
CC1=NC(S(=O)(=O)C(C)C2=NN=NN2C2CC2)=NN1	REAL250005014660	0	32	0.0	-23.30	288.90	0.56	-22.74
CC1=NC(S(=O)(=O)CC2=CC(C)=CC=N2)=NN1	REAL250005014661	0	29	0.0	-18.35	266.17	1.43	-16.92
CC1=NC(S(=O)(=O)C(C)C2=NN=NN2C)=NN1	REAL250005014662	0	28	0.0	-23.82	257.01	-1.11	-24.93
CC1=NC(S(=O)(=O)CC2=CC=C(F)C=C2C)=NN1	REAL250005014663	0	30	0.0	-15.84	271.75	3.26	-12.58
CC1=NC(S(=O)(=O)CC2=NC=C(Cl)S2)=NN1	REAL250005014664	0	23	0.0	-15.72	251.54	0.33	-15.39
CC1=NC(S(=O)(=O)CC2=CC=C(Cl)C=C2C)=NN1	REAL250005014665	0	30	0.0	-15.39	282.07	3.72	-11.67
COC1=CC=CC(CS(=O)(=O)C2=NNC(C)=N2)=N1	REAL250005014666	0	30	0.0	-19.00	276.89	-0.75	-19.75
CCC1=NN=C(CS(=O)(=O)C2=NNC(C)=N2)N1	REAL250005014667	0	29	0.0	-22.71	267.15	0.48	-22.23
CC1=NC(S(=O)(=O)CC2=NC=NN2CCF)=NN1	REAL250005014668	0	29	0.0	-19.12	274.02	1.79	-17.33
COC1=CC=C(CS(=O)(=O)C2=NNC(C)=N2)N=N1	REAL250005014669	0	29	0.0	-20.95	271.87	-2.08	-23.03
CC1=NC(S(=O)(=O)CC2=NC=NN2C(C)(C)C)=NN1	REAL250005014670	0	35	0.0	-18.90	291.18	2.70	-16.20
CC1=NC(S(=O)(=O)CC2=NN=C3CCCCN23)=NN1	REAL250005014671	0	33	0.0	-23.25	286.72	2.58	-20.67
CC1=NC(S(=O)(=O)CCCC2(C#N)CCOCC2)=NN1	REAL250005014672	0	38	0.0	-23.62	318.56	1.68	-21.94
CC1=NC(S(=O)(=O)CC2=NC=NN2C(C)C)=NN1	REAL250005014673	0	32	0.0	-19.08	287.44	2.36	-16.72
CC1=NC(S(=O)(=O)CC2=NN=C3CCCCCN23)=NN1	REAL250005014674	0	36	0.0	-22.92	300.28	2.84	-20.08
CC1=NC(S(=O)(=O)CC2=CC=C(C)C=C2Cl)=NN1	REAL250005014675	0	30	0.0	-15.89	284.53	3.72	-12.17
CC1=NC(S(=O)(=O)C2CCC3=CC=CC=C32)=NN1	REAL250005014676	0	31	0.0	-16.41	270.53	3.68	-12.73
COC(=O)C1=CC=CC(CS(=O)(=O)C2=NNC(C)=N2)=N1	REAL250005014677	0	32	0.0	-22.09	300.45	1.37	-20.72
CC1=NC(S(=O)(=O)CC2=CC=C(F)C=N2)=NN1	REAL250005014678	0	26	0.0	-17.74	251.10	0.83	-16.91
CC1=NC(S(=O)(=O)CCCCC(C)(C)C#N)=NN1	REAL250005014679	0	36	0.0	-21.64	308.79	3.23	-18.41
CC1=NC(S(=O)(=O)CC2=C(C3CC3)ON=C2)=NN1	REAL250005014680	0	30	0.0	-17.59	277.07	2.37	-15.22
CC1=NC(S(=O)(=O)CC2=CC=CC=C2C#N)=NN1	REAL250005014682	0	28	0.0	-20.18	268.04	2.85	-17.33
CC1=NN(C)C(NC(=O)CS(=O)(=O)C2=NNC(C)=N2)=C1	REAL250005014683	0	34	0.0	-27.28	305.32	0.12	-27.16
CC1=NOC(NC(=O)CS(=O)(=O)C2=NNC(C)=N2)=C1	REAL250005014684	0	30	0.0	-29.93	282.08	-0.52	-30.45
CCCN1N=CN=C1CS(=O)(=O)C1=NNC(C)=N1	REAL250005014685	0	32	0.0	-18.98	288.55	2.41	-16.57
CCCCCCCCS(=O)(=O)C1=NNC(C)=N1	REAL250005014686	0	38	0.0	-14.93	318.76	4.27	-10.66
CCCCCCCCCS(=O)(=O)C1=NNC(C)=N1	REAL250005014687	0	41	0.0	-14.86	340.26	5.05	-9.81
CCN1N=CN=C1CS(=O)(=O)C1=NNC(C)=N1	REAL250005014688	0	29	0.0	-19.48	267.05	1.66	-17.82
CC1=NC(S(=O)(=O)CC2=CC=CC(C(F)F)=C2)=NN1	REAL250005014689	0	30	0.0	-18.43	281.87	3.47	-14.96
COC1=CC=C(CCS(=O)(=O)C2=NNC(C)=N2)C=C1	REAL250005014690	0	34	0.0	-17.01	300.69	2.69	-14.32
COC1=CC=NC(CS(=O)(=O)C2=NNC(C)=N2)=C1OC	REAL250005014691	0	34	0.0	-21.01	304.07	-0.03	-21.04
CC1=NC(S(=O)(=O)C2CCC3=CC(Cl)=CC=C32)=NN1	REAL250005014692	0	31	0.0	-15.55	287.27	4.20	-11.35
C=CCNC(=O)C(C)S(=O)(=O)C1=NNC(C)=N1	REAL250005014693	0	31	0.0	-21.07	280.05	-0.54	-21.61
CC1=NC(S(=O)(=O)CC2=CC=NC(Cl)=C2)=NN1	REAL250005014694	0	26	0.0	-18.24	261.44	1.26	-16.98
COC1=NC(C)=CC(C)=C1CS(=O)(=O)C1=NNC(C)=N1	REAL250005014695	0	36	0.0	-18.50	313.44	0.57	-17.93
CC1=NC(S(=O)(=O)CC[C@@H](O)C2=CC=CC=C2)=NN1	REAL250005014696	0	34	0.0	-17.34	299.97	1.03	-16.31
CC1=NC(S(=O)(=O)CC(=O)NC(C2CC2)C2CC2)=NN1	REAL250005014697	0	38	0.0	-22.02	326.18	1.76	-20.26
CC1=NC(S(=O)(=O)CC2CCCS(=O)(=O)C2)=NN1	REAL250005014698	0	33	0.0	-28.04	287.27	-0.94	-28.98
CC1=NC(S(=O)(=O)CC2=CC=C(C)C=N2)=NN1	REAL250005014699	0	29	0.0	-18.48	266.13	1.41	-17.07
CCOC1=CC=C(CS(=O)(=O)C2=NNC(C)=N2)N=C1	REAL250005014700	0	33	0.0	-18.55	296.12	0.96	-17.59
CC1=NC(S(=O)(=O)CC2=CC=C(Cl)C=N2)=NN1	REAL250005014701	0	26	0.0	-17.42	261.44	1.25	-16.17
COC1=CC(C)=NC(CS(=O)(=O)C2=NNC(C)=N2)=C1	REAL250005014702	0	33	0.0	-19.12	296.05	0.69	-18.43
CCN1N=NC(C)=C1CS(=O)(=O)C1=NNC(C)=N1	REAL250005014703	0	32	0.0	-19.92	285.75	0.41	-19.51
CC1=NC(S(=O)(=O)CC2=NN=C(C3CC3)S2)=NN1	REAL250005014704	0	29	0.0	-19.51	282.19	0.99	-18.52
CC1=NC(S(=O)(=O)CC2=C(Cl)C=CS2)=NN1	REAL250005014705	0	24	0.0	-15.13	255.20	2.15	-12.98
COC1=CC=NC(CS(=O)(=O)C2=NNC(C)=N2)=N1	REAL250005014706	0	29	0.0	-18.88	271.99	-1.74	-20.62
CC1=NC(S(=O)(=O)CC2=CC=CC=C2[N+](=O)[O-])=NN1	REAL250005014707	0	29	0.0	-20.85	270.39	3.78	-17.07
CC1=NC(S(=O)(=O)CCC2=CC=C(Cl)C=C2)=NN1	REAL250005014708	0	30	0.0	-15.93	287.92	3.91	-12.02
CC1=NC(S(=O)(=O)CC2=NN=C(C(C)C)S2)=NN1	REAL250005014709	0	31	0.0	-19.08	293.18	0.73	-18.35
CC1=NC(S(=O)(=O)C2CC3CCCCC3NC2=O)=NN1	REAL250005014710	0	38	0.0	-17.20	303.25	0.50	-16.70
CC1=NC(S(=O)(=O)CC2CC(F)(F)C2)=NN1	REAL250005014711	0	27	0.0	-17.36	251.26	1.85	-15.51
CC1=NC(S(=O)(=O)CCC2=CN(C)N=C2)=NN1	REAL250005014712	0	30	0.0	-19.21	274.00	1.18	-18.03
CC1=NC(S(=O)(=O)CCC2CCOCC2)=NN1	REAL250005014713	0	34	0.0	-16.60	283.10	1.17	-15.43
CC1=NC(S(=O)(=O)CC2=C(C)C=CC=C2Cl)=NN1	REAL250005014714	0	30	0.0	-15.63	278.95	3.64	-11.99
CC1=NC(S(=O)(=O)CC2=NN=C(C(C)(C)C)N2)=NN1	REAL250005014715	0	35	0.0	-21.90	306.54	1.51	-20.39
CC1=NC(S(=O)(=O)CC2CCCCC2(F)F)=NN1	REAL250005014716	0	33	0.0	-14.19	278.17	3.08	-11.11
CC1=NC(S(=O)(=O)CC2=CC=CC(F)=C2Cl)=NN1	REAL250005014717	0	27	0.0	-17.68	269.12	3.10	-14.58
CC1=NC(S(=O)(=O)CC2=NC=NC(C)=C2)=NN1	REAL250005014718	0	28	0.0	-18.61	261.18	1.18	-17.43
CC1=NC(S(=O)(=O)CCC2=CSC=N2)=NN1	REAL250005014719	0	26	0.0	-16.52	255.50	0.41	-16.11
CC1=NC(S(=O)(=O)C(C)C2=NN=CN2C)=NN1	REAL250005014720	0	29	0.0	-25.50	262.31	1.95	-23.55
CC1=NC(S(=O)(=O)CC2=NN=C(C(C)C)N2)=NN1	REAL250005014721	0	32	0.0	-21.89	286.41	1.03	-20.86
COCCC1=NC(CS(=O)(=O)C2=NNC(C)=N2)=NO1	REAL250005014722	0	32	0.0	-18.21	296.41	-2.12	-20.33
CC1=NC(S(=O)(=O)CC2=C(C)N=CS2)=NN1	REAL250005014723	0	26	0.0	-16.77	251.97	0.41	-16.36
CC1=NC(S(=O)(=O)CC2=CC(C)=CN=C2)=NN1	REAL250005014724	0	29	0.0	-17.81	265.97	1.47	-16.34
CC1=NC(S(=O)(=O)CC2=CC=CN=C2C)=NN1	REAL250005014725	0	29	0.0	-17.57	260.46	1.37	-16.20
CC1=NC(S(=O)(=O)CCN2CCNC2=O)=NN1	REAL250005014726	0	30	0.0	-23.23	269.86	-1.74	-24.97
CC1=NC(S(=O)(=O)CC[C@H](O)C2=CC=CC=C2)=NN1	REAL250005014727	0	34	0.0	-17.35	299.79	1.06	-16.29
CC1=NC(S(=O)(=O)C(C)C2=CC=C3CCCC3=C2)=NN1	REAL250005014728	0	37	0.0	-15.50	309.24	4.96	-10.54
CC1=NN=C(C(C)S(=O)(=O)C2=NNC(C)=N2)N1	REAL250005014729	0	29	0.0	-25.07	263.02	0.31	-24.76
CC1=NC(S(=O)(=O)CCN2C(=O)NC(C)C2=O)=NN1	REAL250005014730	0	32	0.0	-20.59	292.44	-1.73	-22.32
CC1=NC(S(=O)(=O)CC(C)S(C)(=O)=O)=NN1	REAL250005014731	0	29	0.0	-27.02	261.44	-1.09	-28.11
CC1=NC(S(=O)(=O)CC2=CC(=O)NC(C3CC3)=N2)=NN1	REAL250005014732	0	33	0.0	-21.51	301.71	0.87	-20.64
CC1=NC(S(=O)(=O)CC2=CN(C)N=C2C)=NN1	REAL250005014733	0	30	0.0	-20.02	272.41	0.91	-19.11
CC1=NC(S(=O)(=O)CCC2=CN=CS2)=NN1	REAL250005014734	0	26	0.0	-16.67	255.94	0.62	-16.05
CNC(=O)NC(=O)C(C)S(=O)(=O)C1=NNC(C)=N1	REAL250005014735	0	31	0.0	-31.81	281.31	-1.91	-33.72
CC1=NC(S(=O)(=O)C(C)C(=O)NC(N)=O)=NN1	REAL250005014736	0	28	0.0	-31.78	259.38	-3.32	-35.10
CCNC(=O)NC(=O)C(C)S(=O)(=O)C1=NNC(C)=N1	REAL250005014737	0	34	0.0	-31.06	302.80	-1.07	-32.13
CC1=NC(S(=O)(=O)CC(=O)NC(=O)NC2CC2)=NN1	REAL250005014738	0	32	0.0	-32.87	294.88	-0.98	-33.85
COC1=CC(CS(=O)(=O)C2=NNC(C)=N2)=CC=N1	REAL250005014739	0	30	0.0	-18.47	276.77	-0.68	-19.15
CC1=NC(S(=O)(=O)CCC2(C#N)CCCCC2)=NN1	REAL250005014740	0	37	0.0	-19.92	305.43	3.23	-16.69
CC1=NC(S(=O)(=O)CCCC(=O)NCC(C)C)=NN1	REAL250005014741	0	39	0.0	-23.36	332.75	1.05	-22.31
CC1=NC(S(=O)(=O)CC2=CC=CC([N+](=O)[O-])=C2C)=NN1	REAL250005014742	0	32	0.0	-20.19	287.06	3.74	-16.45
CC1=NC(S(=O)(=O)C(C)C2=NOC(C)=N2)=NN1	REAL250005014743	0	28	0.0	-19.14	259.88	-1.57	-20.71
CC1=NC(S(=O)(=O)CC2=NC(C(F)F)=NO2)=NN1	REAL250005014744	0	25	0.0	-20.09	254.29	-1.63	-21.72
CC1=NC(S(=O)(=O)CC2=CC=C(C)C=C2C)=NN1	REAL250005014745	0	33	0.0	-15.76	286.78	3.86	-11.90
CC1=NC(S(=O)(=O)CC2=NC(C3CC3)=NN2C)=NN1	REAL250005014746	0	33	0.0	-20.76	298.26	2.19	-18.57
CC1=NC(S(=O)(=O)CCNC(=O)NC(C)C)=NN1	REAL250005014747	0	35	0.0	-22.52	307.55	-1.74	-24.26
CC1=NC(S(=O)(=O)CC2=COC(C(C)C)=N2)=NN1	REAL250005014748	0	32	0.0	-19.30	289.39	-0.73	-20.03
CC1=NC(S(=O)(=O)CC2=NN(C(C)(C)C)N=N2)=NN1	REAL250005014749	0	34	0.0	-19.95	303.05	0.33	-19.62
CCC1=NOC=C1CS(=O)(=O)C1=NNC(C)=N1	REAL250005014750	0	29	0.0	-17.91	260.19	1.46	-16.45
CC1=NC(S(=O)(=O)CC2=CC=C(C)N=C2)=NN1	REAL250005014751	0	29	0.0	-18.31	266.13	1.44	-16.87
CC1=NC(S(=O)(=O)CC2=C(C)N=NS2)=NN1	REAL250005014752	0	25	0.0	-17.61	247.54	-0.21	-17.82
CC1=NC(S(=O)(=O)CC2=NN3CCCC3=C2)=NN1	REAL250005014753	0	31	0.0	-21.78	276.22	1.09	-20.69
CC1=NOC(CCCS(=O)(=O)C2=NNC(C)=N2)=N1	REAL250005014754	0	31	0.0	-21.57	284.26	-0.23	-21.80
CC1=NC(S(=O)(=O)CC2=NN3CCCCC3=C2)=NN1	REAL250005014755	0	34	0.0	-20.23	294.29	1.90	-18.33
CC1=NC(S(=O)(=O)CC2=CC=C(C)N=C2Cl)=NN1	REAL250005014756	0	29	0.0	-18.66	279.80	1.82	-16.84
CC1=NC(S(=O)(=O)C(C)C2=CC=C(Cl)C=C2)=NN1	REAL250005014757	0	30	0.0	-14.84	279.69	3.55	-11.29
CC1=NC(S(=O)(=O)CC2=CN(C(C)(C)C)N=C2)=NN1	REAL250005014758	0	36	0.0	-19.35	312.46	2.40	-16.95
CC1=NC(S(=O)(=O)CC2=NC(C)=NC(C)=C2)=NN1	REAL250005014759	0	31	0.0	-18.95	283.02	1.13	-17.82
CCC1=NN=C(C(C)S(=O)(=O)C2=NNC(C)=N2)N1	REAL250005014760	0	32	0.0	-24.69	284.48	0.94	-23.75
CC1=NC(S(=O)(=O)CC2=CC(Cl)=NC(C)=C2)=NN1	REAL250005014761	0	29	0.0	-18.10	283.05	1.87	-16.23
CC1=NC(S(=O)(=O)CCC2=CN(C)N=N2)=NN1	REAL250005014762	0	29	0.0	-22.00	267.97	-0.13	-22.13
CC1=NC(S(=O)(=O)CC2=NN(C)C(Cl)=C2)=NN1	REAL250005014763	0	27	0.0	-18.01	268.71	0.63	-17.38
CC1=NC(S(=O)(=O)CC2=CC=C(F)C(Cl)=C2)=NN1	REAL250005014764	0	27	0.0	-17.25	272.28	3.16	-14.09
CC1=NC(S(=O)(=O)CC2=C([N+](=O)[O-])C(C)=NO2)=NN1	REAL250005014765	0	28	0.0	-16.69	277.45	1.52	-15.17
COC1=CC=CC=C1OCCS(=O)(=O)C1=NNC(C)=N1	REAL250005014766	0	35	0.0	-17.86	308.90	2.09	-15.77
COC1=CC(CS(=O)(=O)C2=NNC(C)=N2)=NC=C1C	REAL250005014767	0	33	0.0	-18.45	294.71	0.79	-17.66
CC1=NC(S(=O)(=O)CC2=NC=CC=C2Cl)=NN1	REAL250005014768	0	26	0.0	-17.72	258.18	1.20	-16.52
CC1=NC(S(=O)(=O)CC2=CC=CC(C(C)C)=C2)=NN1	REAL250005014769	0	36	0.0	-15.92	309.91	4.53	-11.39
CC1=NC(S(=O)(=O)C(C(N)=O)C2=CC=CC=C2)=NN1	REAL250005014770	0	31	0.0	-21.66	278.88	-0.47	-22.13
CC1=NC(S(=O)(=O)CC2=CSC(Cl)=N2)=NN1	REAL250005014771	0	23	0.0	-18.16	251.41	0.10	-18.06
COC1=NC=CC=C1CS(=O)(=O)C1=NNC(C)=N1	REAL250005014772	0	30	0.0	-19.00	275.42	-0.61	-19.61
CCN1C=C(CCS(=O)(=O)C2=NNC(C)=N2)C=N1	REAL250005014773	0	33	0.0	-18.98	295.53	2.05	-16.93
CC1=NC(S(=O)(=O)CC2=COC(C3CC3)=N2)=NN1	REAL250005014774	0	30	0.0	-19.81	278.59	-0.52	-20.33
CC1=NC(S(=O)(=O)CC(=O)NCC(C)(C)C)=NN1	REAL250005014775	0	36	0.0	-22.08	306.59	0.20	-21.88
CC1=NC(S(=O)(=O)CC2=NOC(C3CCC3)=N2)=NN1	REAL250005014776	0	32	0.0	-17.97	289.39	0.10	-17.87
COC1=NOC(CS(=O)(=O)C2=NNC(C)=N2)=C1	REAL250005014777	0	27	0.0	-18.76	257.61	-1.82	-20.58
CC1=NC(S(=O)(=O)CC2=CC=NC(F)=C2)=NN1	REAL250005014778	0	26	0.0	-18.98	250.99	0.78	-18.20
CC1=NC(S(=O)(=O)CC2=CC=C(C)C(Cl)=N2)=NN1	REAL250005014779	0	29	0.0	-19.62	280.34	1.78	-17.84
CC1=NC(S(=O)(=O)CC2=C(C)C=C(C)N=C2C)=NN1	REAL250005014780	0	35	0.0	-17.30	296.88	2.63	-14.67
CC1=NC(S(=O)(=O)CC2=NC(CC3CC3)=NO2)=NN1	REAL250005014781	0	32	0.0	-17.83	294.35	0.35	-17.48
CC1=NC(S(=O)(=O)CC2=NC=CN=C2C)=NN1	REAL250005014782	0	28	0.0	-18.79	255.47	-0.56	-19.35
CC1=NC(S(=O)(=O)CC2=CC=C(C)C(F)=C2)=NN1	REAL250005014783	0	30	0.0	-17.06	276.41	3.32	-13.74
CC1=NC(S(=O)(=O)CC2=CC=C(C)C(C#N)=C2)=NN1	REAL250005014784	0	31	0.0	-19.39	289.69	3.50	-15.89
CC1=NC(S(=O)(=O)CC2=NC(C3CCC3)=NO2)=NN1	REAL250005014785	0	32	0.0	-18.03	289.26	0.11	-17.92
CC1=NC(S(=O)(=O)CC2=CC=CC3=C2CCOC3)=NN1	REAL250005014786	0	35	0.0	-17.85	296.23	2.63	-15.22
CC1=NC(S(=O)(=O)CC2CC3(CCC3)C2)=NN1	REAL250005014787	0	34	0.0	-14.92	286.88	3.53	-11.39
CCC1=CC=C(CS(=O)(=O)C2=NNC(C)=N2)C=C1	REAL250005014788	0	33	0.0	-15.99	292.57	4.05	-11.94
CC1=CC(CS(=O)(=O)C2=NNC(C)=N2)=CS1	REAL250005014789	0	27	0.0	-15.83	261.55	2.34	-13.49
CC1=NC(S(=O)(=O)CC2=NN=C3C(=O)NC=CN23)=NN1	REAL250005014790	0	29	0.0	-31.73	276.54	-0.14	-31.87
CC1=NC(S(=O)(=O)CCC2CCCC2(F)F)=NN1	REAL250005014791	0	33	0.0	-16.35	283.84	3.04	-13.31
CC1=NC(S(=O)(=O)CC2=NC=CN2CC(F)F)=NN1	REAL250005014792	0	30	0.0	-20.71	279.05	1.95	-18.76
CC1=NC(S(=O)(=O)CCCC(C)(F)F)=NN1	REAL250005014793	0	29	0.0	-18.78	265.39	2.06	-16.72
CC1=NC(S(=O)(=O)CC2=C(C)C=C(C#N)C=C2C)=NN1	REAL250005014794	0	34	0.0	-17.01	300.45	4.21	-12.80
CC1=NC(S(=O)(=O)CCOC2CCCCC2)=NN1	REAL250005014795	0	37	0.0	-14.08	307.21	2.29	-11.79
CC1=NC(S(=O)(=O)CC2=CN=C(C)S2)=NN1	REAL250005014796	0	26	0.0	-17.24	256.39	0.54	-16.70
CC1=NC(S(=O)(=O)CC2=CC=CC=C2CC(C)C)=NN1	REAL250005014797	0	39	0.0	-15.15	320.34	5.01	-10.14
CC1=NC(S(=O)(=O)CC2=C(F)C=CC(C)=C2F)=NN1	REAL250005014798	0	30	0.0	-17.58	280.61	3.32	-14.26
CC(=O)NCCCCCS(=O)(=O)C1=NNC(C)=N1	REAL250005014799	0	36	0.0	-22.15	315.08	0.27	-21.88
CC1=NC(S(=O)(=O)CC=C(Cl)Cl)=NN1	REAL250005014800	0	21	0.0	-14.21	233.12	1.24	-12.97
CC1=NC(S(=O)(=O)CC(=O)NC2=NOC=C2)=NN1	REAL250005014801	0	27	0.0	-23.31	257.42	-0.78	-24.09
CC1=NC(S(=O)(=O)C(C(N)=O)C2=CC=C(F)C=C2)=NN1	REAL250005014802	0	31	0.0	-21.73	285.58	-0.15	-21.88
CC1=NC(S(=O)(=O)CCC2=CC=NN2C)=NN1	REAL250005014803	0	30	0.0	-18.31	271.44	0.94	-17.37
CCOCCOCCS(=O)(=O)C1=NNC(C)=N1	REAL250005014804	0	34	0.0	-16.28	300.78	-0.15	-16.43
CC1=NC(S(=O)(=O)CCCCC2(C#N)CCC2)=NN1	REAL250005014805	0	37	0.0	-20.17	320.04	3.98	-16.19
CCC1=C(CS(=O)(=O)C2=NNC(C)=N2)C(C)=NO1	REAL250005014806	0	32	0.0	-17.13	288.54	2.23	-14.90
CC1=NC(S(=O)(=O)CC2=NOC3=C2COCC3)=NN1	REAL250005014807	0	31	0.0	-19.76	278.99	0.24	-19.52
CC1=NC(S(=O)(=O)CCN2CCOC2=O)=NN1	REAL250005014808	0	29	0.0	-24.09	266.05	-0.25	-24.34
CC1=NC(S(=O)(=O)CC2=C(C(F)F)N(C)N=N2)=NN1	REAL250005014809	0	29	0.0	-19.27	272.78	-0.38	-19.65
CC1=NC(S(=O)(=O)CC2=CC=NN2C2CCCC2)=NN1	REAL250005014810	0	37	0.0	-17.55	315.64	3.08	-14.47
CC1=NC(S(=O)(=O)CC2=CC=NN2CC(F)F)=NN1	REAL250005014811	0	30	0.0	-19.90	285.26	1.30	-18.60
CC1=NC(S(=O)(=O)CC2=CC=C(Cl)C(C)=C2)=NN1	REAL250005014812	0	30	0.0	-16.07	285.14	3.71	-12.36
CC1=NC(S(=O)(=O)CCC2=CC=C3OCCC3=C2)=NN1	REAL250005014813	0	35	0.0	-17.65	307.08	3.24	-14.41
CC1=NC(S(=O)(=O)C(C)C(=O)N2CCC2)=NN1	REAL250005014814	0	31	0.0	-23.78	275.63	0.22	-23.56
CC1=CN(C)N=C1CS(=O)(=O)C1=NNC(C)=N1	REAL250005014815	0	30	0.0	-20.22	272.42	0.89	-19.33
CC1=NC(S(=O)(=O)CC2=CN(CCF)N=C2)=NN1	REAL250005014816	0	30	0.0	-19.69	280.63	1.38	-18.31
CC1=NC(S(=O)(=O)CC2=CON=C2C2CC2)=NN1	REAL250005014817	0	30	0.0	-18.70	277.52	2.16	-16.54
CC1=NC(S(=O)(=O)CC2=C3COCCC3=NN2)=NN1	REAL250005014818	0	32	0.0	-19.64	282.75	-1.02	-20.66
COC1=CC(C)=NC(CS(=O)(=O)C2=NNC(C)=N2)=N1	REAL250005014819	0	32	0.0	-18.61	293.67	-1.14	-19.75
CCN1N=CC=C1CS(=O)(=O)C1=NNC(C)=N1	REAL250005014820	0	30	0.0	-18.10	272.22	1.03	-17.07
CC1=NC(S(=O)(=O)CCNC(=O)C2CC2)=NN1	REAL250005014821	0	31	0.0	-21.64	281.40	-0.48	-22.12
CC1=NC(S(=O)(=O)CC2=CON=C2C(C)C)=NN1	REAL250005014822	0	32	0.0	-18.20	287.31	1.86	-16.34
CCOC1=CC(CS(=O)(=O)C2=NNC(C)=N2)=CC=N1	REAL250005014823	0	33	0.0	-18.35	298.63	0.25	-18.10
CC1=NC(S(=O)(=O)C(C)C2=CC=C(C)C(C)=C2)=NN1	REAL250005014824	0	36	0.0	-15.57	302.08	4.27	-11.30
CC1=NC(S(=O)(=O)CC2=CC=C3COCCC3=C2)=NN1	REAL250005014825	0	35	0.0	-17.34	303.42	2.70	-14.64
CC1=NC(S(=O)(=O)CCOCC(F)F)=NN1	REAL250005014826	0	27	0.0	-18.21	258.31	-0.06	-18.27
CC1=NC(S(=O)(=O)CCCC2=C(C)N=CS2)=NN1	REAL250005014827	0	32	0.0	-19.16	296.20	1.90	-17.26
CC1=NC(S(=O)(=O)CC2=CC([N+](=O)[O-])=CC=C2C)=NN1	REAL250005014828	0	32	0.0	-20.00	293.72	3.86	-16.14
CC1=NC(S(=O)(=O)CC2=CC(=O)NC(C)=N2)=NN1	REAL250005014829	0	29	0.0	-22.64	270.92	-0.79	-23.43
CC1=NC(S(=O)(=O)CC2=CC=C(C#N)C=N2)=NN1	REAL250005014830	0	27	0.0	-19.84	265.57	1.17	-18.67
CC1=NC(S(=O)(=O)C(C)C2=NC=CS2)=NN1	REAL250005014831	0	26	0.0	-17.82	252.10	0.28	-17.54
CC1=NC(S(=O)(=O)CC2=CC=CC(F)=N2)=NN1	REAL250005014832	0	26	0.0	-20.56	251.10	0.71	-19.85
CC1=NC(S(=O)(=O)CC2=CC(C)=CC(Cl)=N2)=NN1	REAL250005014833	0	29	0.0	-18.89	283.06	1.85	-17.04
CC1=NC(S(=O)(=O)CCC(C)(C)C(F)(F)F)=NN1	REAL250005014834	0	32	0.0	-16.80	281.45	2.33	-14.47
CC1=NC(S(=O)(=O)CC2=CC=CC(C)=C2[N+](=O)[O-])=NN1	REAL250005014835	0	32	0.0	-21.47	294.39	4.72	-16.75
CC1=NC(S(=O)(=O)CCC2=CC=CC=C2C)=NN1	REAL250005014836	0	33	0.0	-15.22	286.56	3.88	-11.34
CC1=NC(S(=O)(=O)CC2=CC3=NC=CC=C3C=C2)=NN1	REAL250005014837	0	32	0.0	-20.79	290.80	2.97	-17.82
CC1=NC(S(=O)(=O)CC2CCS(=O)(=O)C2)=NN1	REAL250005014838	0	30	0.0	-26.85	272.02	-1.63	-28.48
CC1=NC(S(=O)(=O)CC2=CC(C(C)(C)C)=NO2)=NN1	REAL250005014839	0	35	0.0	-18.48	307.26	2.63	-15.85
CC1=NC(S(=O)(=O)CC2=NN=C3CCCN23)=NN1	REAL250005014840	0	30	0.0	-24.81	270.28	2.04	-22.77
CC1=NC(S(=O)(=O)CC2=CN3C=CC=C(F)C3=N2)=NN1	REAL250005014841	0	30	0.0	-26.80	283.09	3.14	-23.66
CC1=NC(S(=O)(=O)CC2=CN=CC(C(C)(C)C)=C2)=NN1	REAL250005014842	0	38	0.0	-17.06	321.09	3.11	-13.95
CC1=NC(S(=O)(=O)CC2=NN(CCF)C=C2)=NN1	REAL250005014843	0	30	0.0	-20.05	280.68	1.28	-18.77
CCC1=NC(CS(=O)(=O)C2=NNC(C)=N2)=CC(=O)N1	REAL250005014844	0	32	0.0	-22.21	290.87	0.22	-21.99
CCC1=NOC(CS(=O)(=O)C2=NNC(C)=N2)=C1	REAL250005014845	0	29	0.0	-18.73	268.08	1.50	-17.23
COC1=CC(C)=C(CS(=O)(=O)C2=NNC(C)=N2)C=N1	REAL250005014846	0	33	0.0	-17.66	293.27	-0.13	-17.79
CC1=NC(S(=O)(=O)CC2=CC=C(C)C=C2F)=NN1	REAL250005014847	0	30	0.0	-17.29	276.41	3.31	-13.98
CC1=NC(S(=O)(=O)CC2=NC3=C(CCCC3)S2)=NN1	REAL250005014848	0	33	0.0	-17.63	298.21	2.32	-15.31
CC1=NC(S(=O)(=O)CCC2=CC=C(Cl)N=C2)=NN1	REAL250005014849	0	29	0.0	-18.38	282.90	2.03	-16.35
CC1=NC(S(=O)(=O)CC2=CC=C3CCOCC3=C2)=NN1	REAL250005014850	0	35	0.0	-17.87	303.40	2.70	-15.17
CC1=NC(S(=O)(=O)CC2=NC=CC=C2F)=NN1	REAL250005014851	0	26	0.0	-18.88	250.01	0.79	-18.09
CCCN1C=CC(CS(=O)(=O)C2=NNC(C)=N2)=N1	REAL250005014852	0	33	0.0	-20.40	295.59	1.91	-18.49
CC1=NC(S(=O)(=O)CC2=CC=CC(C3CC3)=C2)=NN1	REAL250005014853	0	34	0.0	-16.18	298.90	4.71	-11.47
COCC1=NOC=C1CS(=O)(=O)C1=NNC(C)=N1	REAL250005014854	0	30	0.0	-20.63	278.68	-0.35	-20.98
CC1=NC(S(=O)(=O)CCC2=CC=CC(Cl)=C2)=NN1	REAL250005014855	0	30	0.0	-15.96	287.92	3.90	-12.06
COC1=CC=C(F)C(CS(=O)(=O)C2=NNC(C)=N2)=C1	REAL250005014856	0	31	0.0	-17.82	284.49	1.93	-15.89
CC1=C(CS(=O)(=O)C2=NNC(C)=N2)N(C)N=C1	REAL250005014857	0	30	0.0	-17.85	269.23	0.82	-17.03
CCN1C=NN=C1CS(=O)(=O)C1=NNC(C)=N1	REAL250005014858	0	29	0.0	-23.02	266.59	2.53	-20.49
CC1=NC(S(=O)(=O)CC2=CN(C3CC3)N=N2)=NN1	REAL250005014859	0	30	0.0	-22.95	276.19	0.60	-22.35
CC1=NC(S(=O)(=O)CC(=O)N2CCCC2(C)C)=NN1	REAL250005014860	0	37	0.0	-23.15	307.86	1.70	-21.45
CC1=NC(S(=O)(=O)CC(=O)N(C)C2CCCC2)=NN1	REAL250005014861	0	37	0.0	-23.23	306.11	1.83	-21.40
CC1=NN(C)C(CS(=O)(=O)C2=NNC(C)=N2)=C1	REAL250005014862	0	30	0.0	-18.61	271.52	0.81	-17.80
CC1=NC(S(=O)(=O)CC2=C3SC=CC3=CC=C2)=NN1	REAL250005014863	0	30	0.0	-17.58	285.53	3.96	-13.62
CC1=NC(S(=O)(=O)CC2=CON=C2C2CCC2)=NN1	REAL250005014864	0	33	0.0	-18.28	293.40	2.63	-15.65
CC1=NC(S(=O)(=O)CC2=CC=CC(Cl)=C2C)=NN1	REAL250005014865	0	30	0.0	-15.93	278.07	3.69	-12.24
CC1=NC(S(=O)(=O)CCCC2=NN=CO2)=NN1	REAL250005014866	0	28	0.0	-23.61	262.80	-3.65	-27.26
CC1=NC(S(=O)(=O)CC2=NC(C(C)(F)F)=NO2)=NN1	REAL250005014867	0	28	0.0	-19.01	274.69	-0.96	-19.97
CC1=NC(S(=O)(=O)CC2=CC=C(Cl)N=C2C)=NN1	REAL250005014868	0	29	0.0	-17.84	277.32	1.79	-16.05
CC1=NC(S(=O)(=O)CC2=CSC(Cl)=C2)=NN1	REAL250005014869	0	24	0.0	-15.79	256.71	2.15	-13.64
COC1=CC=C(C)N=C1CS(=O)(=O)C1=NNC(C)=N1	REAL250005014870	0	33	0.0	-19.81	294.66	0.75	-19.06
CC1=NC(S(=O)(=O)CC2=CN=C(Cl)C(C)=C2)=NN1	REAL250005014871	0	29	0.0	-18.34	280.19	1.84	-16.50
CC(=O)NC1=CC=CC=C1CS(=O)(=O)C1=NNC(C)=N1	REAL250005014872	0	34	0.0	-19.43	300.35	1.84	-17.59
CCC1=CSC(CS(=O)(=O)C2=NNC(C)=N2)=N1	REAL250005014873	0	29	0.0	-17.38	277.42	1.10	-16.28
COC1=NC=C(CS(=O)(=O)C2=NNC(C)=N2)C=C1C	REAL250005014874	0	33	0.0	-18.34	296.87	0.03	-18.31
CC1=NC(S(=O)(=O)CC2=CN=C(C(C)C)S2)=NN1	REAL250005014875	0	32	0.0	-16.67	298.66	1.89	-14.78
COCC1=CC(CS(=O)(=O)C2=NNC(C)=N2)=NO1	REAL250005014876	0	30	0.0	-20.30	280.27	-0.23	-20.53
CC1=NC(S(=O)(=O)CC2=CON=C2C(C)(C)C)=NN1	REAL250005014877	0	35	0.0	-17.66	292.87	2.25	-15.41
CC1=NC(S(=O)(=O)CC2=NOC3=C2CCCCC3)=NN1	REAL250005014878	0	36	0.0	-18.10	301.44	3.06	-15.04
CCC1=CC(CS(=O)(=O)C2=NNC(C)=N2)=NO1	REAL250005014879	0	29	0.0	-18.58	268.10	1.50	-17.08
CC1=NC(S(=O)(=O)CC2=CC(C3CC3)=NO2)=NN1	REAL250005014880	0	30	0.0	-18.77	276.78	2.26	-16.51
CC1=NC(S(=O)(=O)CC2=C(C3CCC3)OC=N2)=NN1	REAL250005014881	0	33	0.0	-18.90	292.92	0.03	-18.87
CCC(C1=NNC=N1)S(=O)(=O)C1=NNC(C)=N1	REAL250005014882	0	29	0.0	-20.76	262.75	0.43	-20.33
CC1=NC(S(=O)(=O)CC2=CC=C(F)N=C2)=NN1	REAL250005014883	0	26	0.0	-19.15	250.95	0.77	-18.38
COCC1=NC=CC(CS(=O)(=O)C2=NNC(C)=N2)=N1	REAL250005014884	0	32	0.0	-20.67	295.00	-0.51	-21.18
COC1=CC=C(CS(=O)(=O)C2=NNC(C)=N2)C(C)=N1	REAL250005014885	0	33	0.0	-17.87	292.60	-0.14	-18.01
CC1=NC(S(=O)(=O)CC(O)CNC(=O)N(C)C)=NN1	REAL250005014886	0	36	0.0	-22.74	313.59	-3.24	-25.98
CC1=NC(S(=O)(=O)CC2=CC(C(C)C)=NN2)=NN1	REAL250005014887	0	33	0.0	-18.04	291.66	0.80	-17.24
CC1=NC(S(=O)(=O)CC2=NNC(C(C)C)=C2)=NN1	REAL250005014887	1	33	0.0	-18.36	292.10	0.89	-17.47
CC1=NC(S(=O)(=O)[C@H]2C[C@@H](C(C)(C)C)NC2=O)=NN1	REAL250005014888	0	37	0.0	-19.16	300.25	0.07	-19.09
CC1=NC(S(=O)(=O)CC2=CC=CC(CC#N)=N2)=NN1	REAL250005014889	0	30	0.0	-28.28	286.55	1.88	-26.40
CC1=NC(S(=O)(=O)CC2=NOC(C3CCCC3)=C2)=NN1	REAL250005014890	0	36	0.0	-18.23	312.16	3.39	-14.84
CC1=NC(S(=O)(=O)CC(O)COC(C)C)=NN1	REAL250005014891	0	34	0.0	-19.37	296.45	-1.36	-20.73
COC1=CC=C(CS(=O)(=O)C2=NNC(C)=N2)C=N1	REAL250005014892	0	30	0.0	-18.41	276.73	-0.70	-19.11
COC1=CC=CN=C1CS(=O)(=O)C1=NNC(C)=N1	REAL250005014893	0	30	0.0	-19.73	273.04	0.16	-19.57
CC1=NC(S(=O)(=O)CC2=CC(C)=CN=C2F)=NN1	REAL250005014894	0	29	0.0	-19.65	271.32	1.39	-18.26
CC1=NC(S(=O)(=O)CC2=CN=C(F)C=C2C)=NN1	REAL250005014895	0	29	0.0	-18.04	267.52	1.33	-16.71
CC1=NC(S(=O)(=O)CC2=C(C)OC(C)=N2)=NN1	REAL250005014896	0	29	0.0	-19.55	267.19	-1.25	-20.80
COC1=CC=C(CS(=O)(=O)C2=NNC(C)=N2)C(F)=C1	REAL250005014897	0	31	0.0	-18.20	284.50	1.93	-16.27
CC1=NC(S(=O)(=O)CC2=NN(C)C=C2[N+](=O)[O-])=NN1	REAL250005014898	0	29	0.0	-23.04	278.26	0.92	-22.12
COC1=NC(C)=CC(CS(=O)(=O)C2=NNC(C)=N2)=N1	REAL250005014899	0	32	0.0	-21.36	293.36	-2.17	-23.53
O=S(=O)(CC1=CC=C(F)C=C1Cl)C1=NNC=N1	REAL250005014900	0	24	0.0	-16.46	247.57	3.27	-13.19
CC(C)C(C)NC(=O)CS(=O)(=O)C1=NNC=N1	REAL250005014901	0	33	0.0	-23.48	280.23	0.12	-23.36
O=S(=O)(CC1=CC=CC=C1Cl)C1=NNC=N1	REAL250005014902	0	24	0.0	-16.96	241.18	3.21	-13.75
COC1=CC=CC(CS(=O)(=O)C2=NNC=N2)=C1	REAL250005014903	0	28	0.0	-18.74	257.20	2.05	-16.69
CC1CCC(NC(=O)CS(=O)(=O)C2=NNC=N2)CC1	REAL250005014904	0	37	0.0	-23.18	305.87	1.83	-21.35
O=S(=O)(CC1=CC=CC(Cl)=C1)C1=NNC=N1	REAL250005014905	0	24	0.0	-17.37	244.43	3.27	-14.10
O=S(=O)(CC1=C(F)C=CC=C1Cl)C1=NNC=N1	REAL250005014906	0	24	0.0	-17.48	246.43	3.23	-14.25
O=C(CS(=O)(=O)C1=NNC=N1)N1CCOCC1	REAL250005014907	0	29	0.0	-24.66	256.09	-1.09	-25.75
CC(C)CNC(=O)C(C)S(=O)(=O)C1=NNC=N1	REAL250005014908	0	33	0.0	-22.51	286.24	0.26	-22.25
CC(C(=O)NC(C)(C)C)S(=O)(=O)C1=NNC=N1	REAL250005014909	0	33	0.0	-22.18	279.08	0.29	-21.89
CCC1=CC=C(NC(=O)CS(=O)(=O)C2=NNC=N2)C=C1	REAL250005014910	0	34	0.0	-25.06	304.20	2.45	-22.61
O=S(=O)(CC1=CSC(C2=CC=CO2)=N1)C1=NNC=N1	REAL250005014911	0	27	0.0	-22.90	275.09	1.55	-21.35
CC1=CC=C(NC(=O)CS(=O)(=O)C2=NNC=N2)C(C)=C1	REAL250005014912	0	34	0.0	-25.14	300.26	2.53	-22.61
O=S(=O)(CC1=CC(C2=CC=CC=C2)=NO1)C1=NNC=N1	REAL250005014913	0	30	0.0	-21.44	282.66	3.90	-17.54
O=S(=O)(CC1=CC=C(Cl)C=C1Cl)C1=NNC=N1	REAL250005014914	0	24	0.0	-16.07	257.91	3.72	-12.35
O=S(=O)(CC1=CC=C(Cl)C(Cl)=C1)C1=NNC=N1	REAL250005014915	0	24	0.0	-17.54	259.62	3.72	-13.82
O=C(CCS(=O)(=O)C1=NNC=N1)NC1=CC=CC=C1	REAL250005014916	0	31	0.0	-20.72	282.71	1.81	-18.91
O=C(CCS(=O)(=O)C1=NNC=N1)NC1=CC=CC(F)=C1	REAL250005014917	0	31	0.0	-22.98	289.39	1.87	-21.11
O=C(CCS(=O)(=O)C1=NNC=N1)NC1=CC=CC=C1F	REAL250005014918	0	31	0.0	-19.59	287.81	1.93	-17.66
CC1=CC=CC=C1CNC(=O)CS(=O)(=O)C1=NNC=N1	REAL250005014919	0	34	0.0	-23.02	304.25	1.93	-21.09
CC(C)(C)C1=NC(CS(=O)(=O)C2=NNC=N2)=NO1	REAL250005014920	0	31	0.0	-19.14	281.13	0.06	-19.08
O=S(=O)(CC1=NOC(C2=CSC=C2)=N1)C1=NNC=N1	REAL250005014921	0	26	0.0	-19.63	269.22	0.15	-19.48
CN1C(=O)C=C(CS(=O)(=O)C2=NNC=N2)N(C)C1=O	REAL250005014922	0	30	0.0	-22.75	265.89	0.86	-21.89
O=S(=O)(CC1=NC(C2=CC=CO2)=NO1)C1=NNC=N1	REAL250005014923	0	26	0.0	-22.67	260.08	-0.60	-23.27
O=S(=O)(CC1=CC=C(Cl)C=C1)C1=NNC=N1	REAL250005014924	0	24	0.0	-16.94	244.43	3.28	-13.66
CC1=CC=C(C)C(CS(=O)(=O)C2=NNC=N2)=C1	REAL250005014925	0	30	0.0	-16.63	263.44	4.07	-12.56
O=C(CS(=O)(=O)C1=NNC=N1)NCC1=CC=CO1	REAL250005014926	0	28	0.0	-23.85	267.87	-0.74	-24.59
CCOC1=CC=CC=C1CS(=O)(=O)C1=NNC=N1	REAL250005014927	0	31	0.0	-18.31	277.73	3.05	-15.26
O=S(=O)(CC1=CC=CC=C1C(F)(F)F)C1=NNC=N1	REAL250005014928	0	27	0.0	-17.68	252.33	3.85	-13.83
O=C(CS(=O)(=O)C1=NNC=N1)N1CCCCC1	REAL250005014929	0	31	0.0	-23.84	264.93	1.32	-22.52
O=S(=O)(CC1=CC=CC(C(F)(F)F)=C1)C1=NNC=N1	REAL250005014930	0	27	0.0	-18.23	266.41	3.75	-14.48
CC(C)N(C(=O)CS(=O)(=O)C1=NNC=N1)C(C)C	REAL250005014931	0	36	0.0	-22.70	297.20	2.29	-20.41
O=C(CS(=O)(=O)C1=NNC=N1)NCC1CCCCC1	REAL250005014932	0	37	0.0	-23.32	309.22	1.54	-21.78
COC1=CC=C(Cl)C=C1CS(=O)(=O)C1=NNC=N1	REAL250005014933	0	28	0.0	-17.83	272.60	2.63	-15.20
CC1=CC(NC(=O)C(C)S(=O)(=O)C2=NNC=N2)=NO1	REAL250005014934	0	30	0.0	-22.22	275.39	1.08	-21.14
O=S(=O)(CC1=CC=C(C(F)(F)F)C=C1)C1=NNC=N1	REAL250005014935	0	27	0.0	-17.59	266.43	3.76	-13.83
CC1=CC(NC(=O)CS(=O)(=O)C2=NNC=N2)=NO1	REAL250005014936	0	27	0.0	-24.07	257.37	0.20	-23.87
COC1=CC=CC=C1CS(=O)(=O)C1=NNC=N1	REAL250005014937	0	28	0.0	-18.43	255.87	2.13	-16.30
CCC(C)(C)NC(=O)C(C)S(=O)(=O)C1=NNC=N1	REAL250005014938	0	36	0.0	-22.27	293.92	0.55	-21.72
CCN(CC)C(=O)C(C)S(=O)(=O)C1=NNC=N1	REAL250005014939	0	33	0.0	-22.67	280.21	1.99	-20.68
CC(C(=O)NCC(F)(F)F)S(=O)(=O)C1=NNC=N1	REAL250005014940	0	27	0.0	-21.13	265.19	-0.80	-21.93
O=S(=O)(CCCOC1=CC=C(F)C=C1)C1=NNC=N1	REAL250005014941	0	31	0.0	-19.28	285.58	3.19	-16.09
O=C(CS(=O)(=O)C1=NNC=N1)NC1CCCCCC1	REAL250005014942	0	37	0.0	-24.12	301.37	1.26	-22.86
CCCC(C)NC(=O)C(C)S(=O)(=O)C1=NNC=N1	REAL250005014943	0	36	0.0	-22.80	308.62	1.30	-21.50
O=C(CS(=O)(=O)C1=NNC=N1)NCC1=CC=CC=C1F	REAL250005014944	0	31	0.0	-24.27	292.81	1.15	-23.12
CC(C)C1=NC(CS(=O)(=O)C2=NNC=N2)=CS1	REAL250005014945	0	29	0.0	-18.73	275.49	1.76	-16.97
O=C(CCS(=O)(=O)C1=NNC=N1)NC1=CC=C(F)C=C1	REAL250005014946	0	31	0.0	-21.28	289.13	1.88	-19.40
NC(=O)C1=CC=CC(CS(=O)(=O)C2=NNC=N2)=C1	REAL250005014947	0	28	0.0	-24.87	262.25	-0.48	-25.35
O=S(=O)(CC1=CC=CC=C1OC(F)F)C1=NNC=N1	REAL250005014948	0	28	0.0	-19.64	265.62	2.40	-17.24
O=S(=O)(CC1=NOC(C2=CC=CS2)=C1)C1=NNC=N1	REAL250005014949	0	27	0.0	-19.30	274.66	2.94	-16.36
O=S(=O)(CC1=NOC(C2=CC=CS2)=N1)C1=NNC=N1	REAL250005014950	0	26	0.0	-19.92	269.16	0.25	-19.67
CC1CCCN(C(=O)CS(=O)(=O)C2=NNC=N2)C1	REAL250005014951	0	34	0.0	-23.88	285.75	1.91	-21.97
CC1CCN(C(=O)CS(=O)(=O)C2=NNC=N2)CC1	REAL250005014952	0	34	0.0	-23.82	285.73	1.93	-21.89
O=S(=O)(CCOC1=CC=CC=C1)C1=NNC=N1	REAL250005014953	0	28	0.0	-16.59	257.67	2.34	-14.25
O=S(=O)(CC1=NC(C2CC2)=NO1)C1=NNC=N1	REAL250005014954	0	26	0.0	-19.68	250.66	-0.15	-19.83
CC(C)(C)C1=CC=C(CS(=O)(=O)C2=NNC=N2)C=C1	REAL250005014955	0	36	0.0	-16.70	303.90	5.08	-11.62
CCCN(CCC)C(=O)CS(=O)(=O)C1=NNC=N1	REAL250005014956	0	36	0.0	-23.32	308.28	2.71	-20.61
O=C(CS(=O)(=O)C1=NNC=N1)N1CCCCCC1	REAL250005014957	0	34	0.0	-23.69	278.55	2.27	-21.42
CN(CC1=CC=CC=C1)C(=O)CS(=O)(=O)C1=NNC=N1	REAL250005014958	0	34	0.0	-25.82	304.32	3.27	-22.55
O=C(CS(=O)(=O)C1=NNC=N1)N1CCNC(=O)C1	REAL250005014959	0	29	0.0	-26.41	262.29	-2.60	-29.01
CCCCCNC(=O)CS(=O)(=O)C1=NNC=N1	REAL250005014960	0	33	0.0	-23.70	291.71	0.44	-23.26
O=C(CS(=O)(=O)C1=NNC=N1)NCC1CCCO1	REAL250005014961	0	32	0.0	-23.68	284.27	-1.59	-25.27
CCN(C(=O)CS(=O)(=O)C1=NNC=N1)C1=CC=CC=C1	REAL250005014962	0	34	0.0	-25.07	302.66	3.61	-21.46
CCCCCCNC(=O)CS(=O)(=O)C1=NNC=N1	REAL250005014963	0	36	0.0	-23.71	313.20	1.22	-22.49
CCCCCC(C)NC(=O)CS(=O)(=O)C1=NNC=N1	REAL250005014964	0	39	0.0	-23.62	332.96	2.22	-21.40
CC1CN(C(=O)CS(=O)(=O)C2=NNC=N2)CC(C)O1	REAL250005014965	0	35	0.0	-24.07	298.46	0.38	-23.69
CCCCC1=NOC(CS(=O)(=O)C2=NNC=N2)=N1	REAL250005014966	0	31	0.0	-19.09	283.75	0.50	-18.59
CC(C)C1=NOC(CS(=O)(=O)C2=NNC=N2)=N1	REAL250005014967	0	28	0.0	-19.18	261.57	-0.59	-19.77
COCCCNC(=O)CS(=O)(=O)C1=NNC=N1	REAL250005014968	0	31	0.0	-24.31	282.38	-2.05	-26.36
CC(C(=O)NCC1=CC=CC=C1)S(=O)(=O)C1=NNC=N1	REAL250005014969	0	34	0.0	-21.88	305.14	2.06	-19.82
CC1CCCC(C)N1C(=O)CS(=O)(=O)C1=NNC=N1	REAL250005014970	0	37	0.0	-22.55	295.36	2.53	-20.02
CC1CCCCN1C(=O)CS(=O)(=O)C1=NNC=N1	REAL250005014971	0	34	0.0	-22.99	279.42	1.93	-21.06
CCCC1=NOC(CS(=O)(=O)C2=NNC=N2)=N1	REAL250005014972	0	28	0.0	-19.13	262.25	-0.28	-19.41
CC(C(=O)NCC1CCCO1)S(=O)(=O)C1=NNC=N1	REAL250005014973	0	35	0.0	-22.72	302.29	-0.66	-23.38
CC(C(=O)NC1CCCCC1)S(=O)(=O)C1=NNC=N1	REAL250005014974	0	37	0.0	-22.76	307.51	1.76	-21.00
CC1=CC=CC=C1NC(=O)C(C)S(=O)(=O)C1=NNC=N1	REAL250005014975	0	34	0.0	-23.67	297.53	2.50	-21.17
CC(C(=O)NC1CCCC1)S(=O)(=O)C1=NNC=N1	REAL250005014976	0	34	0.0	-22.40	289.24	1.21	-21.19
CC(C(=O)N1CCCCC1)S(=O)(=O)C1=NNC=N1	REAL250005014977	0	34	0.0	-22.69	281.08	2.15	-20.54
CC(C(=O)N1CCC(C)CC1)S(=O)(=O)C1=NNC=N1	REAL250005014978	0	37	0.0	-22.58	301.34	2.38	-20.20
CC(C(=O)N(C)C1=CC=CC=C1)S(=O)(=O)C1=NNC=N1	REAL250005014979	0	34	0.0	-24.24	297.71	3.54	-20.70
CCC1CCCCN1C(=O)CS(=O)(=O)C1=NNC=N1	REAL250005014980	0	37	0.0	-22.94	297.83	2.55	-20.39
CC1CC(C)CN(C(=O)CS(=O)(=O)C2=NNC=N2)C1	REAL250005014981	0	37	0.0	-23.30	306.55	2.48	-20.82
O=S(=O)(CC1=COC(C2=CC=CC=C2)=N1)C1=NNC=N1	REAL250005014982	0	30	0.0	-21.78	284.36	1.14	-20.64
CCC(CC)NC(=O)C(C)S(=O)(=O)C1=NNC=N1	REAL250005014983	0	36	0.0	-22.51	300.97	1.13	-21.38
COCCCNC(=O)C(C)S(=O)(=O)C1=NNC=N1	REAL250005014984	0	34	0.0	-23.23	301.04	-1.43	-24.66
CC(C)CCNC(=O)C(C)S(=O)(=O)C1=NNC=N1	REAL250005014985	0	36	0.0	-22.61	306.43	0.79	-21.82
CCOCCCNC(=O)C(C)S(=O)(=O)C1=NNC=N1	REAL250005014986	0	37	0.0	-23.02	322.89	-0.46	-23.48
COC1=CC=C(C)C=C1CS(=O)(=O)C1=NNC=N1	REAL250005014987	0	31	0.0	-18.32	277.28	2.79	-15.53
O=S(=O)(CC1=NOC(C2=CC=CO2)=C1)C1=NNC=N1	REAL250005014988	0	27	0.0	-20.34	265.43	1.94	-18.40
CC(C(=O)NC1=CC=CC=C1)S(=O)(=O)C1=NNC=N1	REAL250005014989	0	31	0.0	-24.08	279.74	1.65	-22.43
O=S(=O)(CC1=CC=C(Cl)S1)C1=NNC=N1	REAL250005014990	0	21	0.0	-16.50	234.97	2.45	-14.05
O=S(=O)(CC1=COC(C2=CC=CS2)=N1)C1=NNC=N1	REAL250005014991	0	27	0.0	-22.10	275.37	0.08	-22.02
O=S(=O)(CC1=NOC(C2=CC=CC=C2)=C1)C1=NNC=N1	REAL250005014992	0	30	0.0	-20.05	282.66	3.81	-16.24
CC(C(=O)N1CCCCCC1)S(=O)(=O)C1=NNC=N1	REAL250005014993	0	37	0.0	-23.01	293.56	2.73	-20.28
CC1=CC=C(NC(=O)CS(=O)(=O)C2=NNC=N2)C=C1F	REAL250005014994	0	31	0.0	-28.51	287.75	1.72	-26.79
O=C(CS(=O)(=O)C1=NNC=N1)NC1CCCC1	REAL250005014995	0	31	0.0	-23.69	271.23	0.29	-23.40
CC1=CC=C(NC(=O)CS(=O)(=O)C2=NNC=N2)C=C1C	REAL250005014996	0	34	0.0	-25.30	299.72	2.22	-23.08
NC(=O)C1=CC=C(CS(=O)(=O)C2=NNC=N2)C=C1	REAL250005014997	0	28	0.0	-23.23	262.24	-0.47	-23.70
CN(C(=O)CS(=O)(=O)C1=NNC=N1)C1=CC=CC=C1	REAL250005014998	0	31	0.0	-25.79	283.21	2.77	-23.02
CC1=CC=CC(NC(=O)CS(=O)(=O)C2=NNC=N2)=C1C	REAL250005014999	0	34	0.0	-25.35	296.83	2.45	-22.90
CCC(C)NC(=O)C(C)S(=O)(=O)C1=NNC=N1	REAL250005015000	0	33	0.0	-22.85	287.12	0.52	-22.33
CCCCCNC(=O)C(C)S(=O)(=O)C1=NNC=N1	REAL250005015001	0	36	0.0	-22.63	310.36	1.06	-21.57
CCCCNC(=O)C(C)S(=O)(=O)C1=NNC=N1	REAL250005015002	0	33	0.0	-22.65	288.86	0.28	-22.37
O=S(=O)(CCCC1=CC=CC=C1)C1=NNC=N1	REAL250005015003	0	30	0.0	-17.78	270.69	4.32	-13.46
O=C(CCS(=O)(=O)C1=NNC=N1)NC1=CC=CC=C1F	REAL250005015004	0	31	0.0	-19.59	287.81	1.93	-17.66
COC1=CC=CC(NC(=O)CS(=O)(=O)C2=NNC=N2)=C1	REAL250005015005	0	32	0.0	-28.91	290.53	0.31	-28.60
CC1=CC=CC(NC(=O)CS(=O)(=O)C2=NNC=N2)=C1	REAL250005015006	0	31	0.0	-25.07	282.45	1.69	-23.38
CCC1=CC=CC=C1NC(=O)CS(=O)(=O)C1=NNC=N1	REAL250005015007	0	34	0.0	-24.42	299.07	2.63	-21.79
CC1=CC=C(NC(=O)CS(=O)(=O)C2=NNC=N2)C(F)=C1	REAL250005015008	0	31	0.0	-22.62	287.55	1.81	-20.81
CC1=CC=CC(C)=C1NC(=O)CS(=O)(=O)C1=NNC=N1	REAL250005015009	0	34	0.0	-24.87	301.20	2.75	-22.12
O=S(=O)(CC1=CC=CC2=CC=CC=C21)C1=NNC=N1	REAL250005015010	0	30	0.0	-18.59	270.18	4.89	-13.70
O=S(=O)(CC1=CC=C(C2=CC=CC=C2)C=C1)C1=NNC=N1	REAL250005015011	0	34	0.0	-18.48	301.91	6.17	-12.31
CC1=CC=CC=C1NC(=O)CS(=O)(=O)C1=NNC=N1	REAL250005015012	0	31	0.0	-25.04	278.83	1.86	-23.18
CC1=CC=C(NC(=O)CS(=O)(=O)C2=NNC=N2)C=C1	REAL250005015013	0	31	0.0	-25.28	282.44	1.69	-23.59
N#CC1=CC=CC(NC(=O)CS(=O)(=O)C2=NNC=N2)=C1	REAL250005015014	0	29	0.0	-31.02	281.90	1.41	-29.61
CC1=CC=C(CNC(=O)CS(=O)(=O)C2=NNC=N2)C=C1	REAL250005015015	0	34	0.0	-23.12	308.53	1.81	-21.31
O=C(CS(=O)(=O)C1=NNC=N1)NCC1=CC=CS1	REAL250005015016	0	28	0.0	-22.84	277.35	0.23	-22.61
O=S(=O)(CC1=C(Cl)C=CC=C1Cl)C1=NNC=N1	REAL250005015017	0	24	0.0	-16.34	254.74	3.65	-12.69
CC1CCCCC1NC(=O)CS(=O)(=O)C1=NNC=N1	REAL250005015018	0	37	0.0	-23.16	304.39	2.06	-21.10
C=C(C)CN(CC)C(=O)CS(=O)(=O)C1=NNC=N1	REAL250005015019	0	34	0.0	-23.34	297.21	2.40	-20.94
O=C(CS(=O)(=O)C1=NNC=N1)N1CCC2=CC=CC=C21	REAL250005015020	0	32	0.0	-22.60	281.57	3.02	-19.58
O=C(CS(=O)(=O)C1=NNC=N1)NC1=CC=CC=C1	REAL250005015021	0	28	0.0	-25.27	261.04	1.01	-24.26
O=C(CS(=O)(=O)C1=NNC=N1)NCC1=CC=CC=C1	REAL250005015022	0	31	0.0	-23.16	287.12	1.13	-22.03
CC1=CC=C(C)C(NC(=O)CS(=O)(=O)C2=NNC=N2)=C1	REAL250005015023	0	34	0.0	-25.34	301.25	2.59	-22.75
O=C(CS(=O)(=O)C1=NNC=N1)NCCC1=CC=CC=C1	REAL250005015024	0	34	0.0	-25.72	308.62	1.90	-23.82
N#CC1=CC=C(NC(=O)CS(=O)(=O)C2=NNC=N2)C=C1	REAL250005015025	0	29	0.0	-28.07	281.83	1.42	-26.65
CN(C(=O)CS(=O)(=O)C1=NNC=N1)C1CCCCC1	REAL250005015026	0	37	0.0	-24.37	303.12	2.65	-21.72
O=C(CS(=O)(=O)C1=NNC=N1)NCC(F)(F)F	REAL250005015027	0	24	0.0	-22.60	246.53	-1.42	-24.02
COC1=CC=C(CS(=O)(=O)C2=NNC=N2)C=C1F	REAL250005015029	0	28	0.0	-20.32	263.43	2.13	-18.19
CC1=CC=CC(NC(=O)C(C)S(=O)(=O)C2=NNC=N2)=C1	REAL250005015030	0	34	0.0	-23.78	300.73	2.57	-21.21
O=S(=O)(CC1=NC2=CC=CC=C2S1)C1=NNC=N1	REAL250005015031	0	26	0.0	-20.35	259.36	2.18	-18.17
CN(C)C1=NC(N)=NC(CS(=O)(=O)C2=NNC=N2)=N1	REAL250005015032	0	31	0.0	-21.27	284.38	3.21	-18.06
O=S(=O)(CC1=NC(C2=CC=CC=C2)=NO1)C1=NNC=N1	REAL250005015033	0	29	0.0	-20.91	278.59	1.39	-19.52
O=S(=O)(CC1=NN=NN1C1=CC=CC=C1)C1=NNC=N1	REAL250005015034	0	29	0.0	-22.49	273.84	1.93	-20.56
CCC1=CC=CC(NC(=O)CS(=O)(=O)C2=NNC=N2)=C1	REAL250005015035	0	34	0.0	-24.75	304.22	2.45	-22.30
O=C(CS(=O)(=O)C1=NNC=N1)NCC1=CC=C(F)C=C1	REAL250005015036	0	31	0.0	-24.00	293.53	1.20	-22.80
O=C(CS(=O)(=O)C1=NNC=N1)NC1=CC=CC(F)=C1	REAL250005015037	0	28	0.0	-28.37	267.45	1.08	-27.29
O=C1C=C(CS(=O)(=O)C2=NNC=N2)N=C2C=CC=CN12	REAL250005015038	0	29	0.0	-26.39	272.67	2.53	-23.86
CC(C1=CC=C(F)C=C1)S(=O)(=O)C1=NNC=N1	REAL250005015039	0	27	0.0	-16.40	248.09	3.28	-13.12
COC1=CC=C(F)C=C1CS(=O)(=O)C1=NNC=N1	REAL250005015040	0	28	0.0	-18.25	262.28	2.19	-16.06
CCCCN1N=NN=C1CS(=O)(=O)C1=NNC=N1	REAL250005015041	0	31	0.0	-21.54	281.46	1.17	-20.37
CCCN1N=NN=C1CS(=O)(=O)C1=NNC=N1	REAL250005015042	0	28	0.0	-21.62	259.98	0.39	-21.23
CCC1=NC(CS(=O)(=O)C2=NNC=N2)=CS1	REAL250005015043	0	26	0.0	-18.73	255.77	1.21	-17.52
CCCC1=NC(CS(=O)(=O)C2=NNC=N2)=CS1	REAL250005015044	0	29	0.0	-18.54	277.27	1.97	-16.57
CC(C)(C)C1=NOC(CS(=O)(=O)C2=NNC=N2)=N1	REAL250005015045	0	31	0.0	-19.22	280.99	-0.05	-19.27
CC(C)C1=NOC(C(C)S(=O)(=O)C2=NNC=N2)=N1	REAL250005015046	0	31	0.0	-17.46	280.32	-0.12	-17.58
O=S(=O)(CC1=NN=NN1C1CC1)C1=NNC=N1	REAL250005015047	0	26	0.0	-23.16	248.73	0.35	-22.81
CC1=CC=CN2C=C(CS(=O)(=O)C3=NNC=N3)N=C12	REAL250005015048	0	30	0.0	-24.47	276.12	3.82	-20.65
CCCCC1=NC(CS(=O)(=O)C2=NNC=N2)=CS1	REAL250005015049	0	32	0.0	-18.45	298.76	2.76	-15.69
CC(C1=CC=CC=C1F)S(=O)(=O)C1=NNC=N1	REAL250005015050	0	27	0.0	-15.72	247.01	3.33	-12.39
CCCCOCCNC(=O)CS(=O)(=O)C1=NNC=N1	REAL250005015051	0	37	0.0	-23.75	325.66	-0.25	-24.00
O=S(=O)(CC1=NC=C(C2=CC=CC=C2)O1)C1=NNC=N1	REAL250005015052	0	30	0.0	-20.86	282.89	1.23	-19.63
CC(=O)NC1=NC(CS(=O)(=O)C2=NNC=N2)=CS1	REAL250005015053	0	27	0.0	-22.45	268.66	-0.29	-22.74
O=S(=O)(CC1=NC(C2=CSC=C2)=NO1)C1=NNC=N1	REAL250005015054	0	26	0.0	-20.47	268.80	0.28	-20.19
CC(C(=O)NC1=CC=CC(F)=C1)S(=O)(=O)C1=NNC=N1	REAL250005015055	0	31	0.0	-22.39	285.47	1.97	-20.42
CC(C)N(C(=O)C(C)S(=O)(=O)C1=NNC=N1)C(C)C	REAL250005015056	0	39	0.0	-21.72	312.57	2.75	-18.97
CCOC1=CC=C(OCCS(=O)(=O)C2=NNC=N2)C=C1	REAL250005015057	0	35	0.0	-17.34	309.02	2.55	-14.79
O=C(CCS(=O)(=O)C1=NNC=N1)NC1CCCC1	REAL250005015058	0	34	0.0	-19.27	292.91	1.09	-18.18
O=S(=O)(CC1=CC=C(OC(F)F)C=C1)C1=NNC=N1	REAL250005015059	0	28	0.0	-20.07	266.95	2.33	-17.74
CN(C)C(=O)C1=CC=CC(CS(=O)(=O)C2=NNC=N2)=C1	REAL250005015060	0	34	0.0	-26.59	297.01	2.44	-24.15
O=C1CCCN1CCCS(=O)(=O)C1=NNC=N1	REAL250005015061	0	31	0.0	-23.89	275.34	1.60	-22.29
O=C1CNC(=O)N1CCCS(=O)(=O)C1=NNC=N1	REAL250005015062	0	29	0.0	-24.60	270.69	-1.54	-26.14
O=S(=O)(CC1=NOC(C2CC2)=N1)C1=NNC=N1	REAL250005015063	0	26	0.0	-19.69	250.88	-0.25	-19.94
CCCC1=NC(CS(=O)(=O)C2=NNC=N2)=NO1	REAL250005015064	0	28	0.0	-19.49	262.25	-0.27	-19.76
O=S(=O)(CCCOCC(F)(F)F)C1=NNC=N1	REAL250005015065	0	27	0.0	-20.38	264.38	1.02	-19.36
CC(C)C1=NC(CS(=O)(=O)C2=NNC=N2)=NO1	REAL250005015066	0	28	0.0	-19.29	261.58	-0.44	-19.73
CCCCC1=NC(CS(=O)(=O)C2=NNC=N2)=NO1	REAL250005015067	0	31	0.0	-19.63	283.75	0.51	-19.12
CCCC1=CC=C(CS(=O)(=O)C2=NNC=N2)C=C1	REAL250005015068	0	33	0.0	-16.72	292.08	4.98	-11.74
CC(C)CCC1=NOC(CS(=O)(=O)C2=NNC=N2)=N1	REAL250005015069	0	34	0.0	-18.98	301.32	1.02	-17.96
O=S(=O)(CC1=NN(C2=CC=CC=C2)C=C1)C1=NNC=N1	REAL250005015070	0	31	0.0	-22.76	286.59	3.84	-18.92
O=S(=O)(CC1=CSC(C2CCCC2)=N1)C1=NNC=N1	REAL250005015071	0	33	0.0	-18.45	298.15	3.01	-15.44
O=S(=O)(CCC1=C(F)C=CC=C1Cl)C1=NNC=N1	REAL250005015072	0	27	0.0	-16.66	268.58	3.99	-12.67
O=S(=O)(CCC1=CC=CC=C1Cl)C1=NNC=N1	REAL250005015073	0	27	0.0	-16.46	261.86	3.91	-12.55
O=S(=O)(CC1=CC=CC(OC(F)F)=C1)C1=NNC=N1	REAL250005015074	0	28	0.0	-19.97	266.96	2.33	-17.64
O=S(=O)(CC1=CC=C(Cl)N=C1)C1=NNC=N1	REAL250005015075	0	23	0.0	-19.32	239.41	1.40	-17.92
CC(=O)NC1=CC=CC(CS(=O)(=O)C2=NNC=N2)=C1	REAL250005015076	0	31	0.0	-22.34	283.81	1.65	-20.69
CC(C)CC1=CC=C(CS(=O)(=O)C2=NNC=N2)C=C1	REAL250005015077	0	36	0.0	-16.58	308.84	5.43	-11.15
O=C(CCS(=O)(=O)C1=NNC=N1)NC1=CC=CC=C1	REAL250005015078	0	31	0.0	-20.72	282.71	1.81	-18.91
O=S(=O)(CC1=CC=CC2=C1OCCO2)C1=NNC=N1	REAL250005015079	0	30	0.0	-19.77	270.78	1.96	-17.81
O=S(=O)(CC1=CC=C(N2C=CC=N2)C=C1)C1=NNC=N1	REAL250005015080	0	31	0.0	-21.94	286.05	3.96	-17.98
O=C(CS(=O)(=O)C1=NNC=N1)NC1CCOCC1	REAL250005015081	0	32	0.0	-24.30	280.41	-1.58	-25.88
CN(CC1=CN(C)N=C1)C(=O)CS(=O)(=O)C1=NNC=N1	REAL250005015082	0	34	0.0	-26.46	308.03	1.09	-25.37
CC1=CC(C)=C(CS(=O)(=O)C2=NNC=N2)C(C)=C1	REAL250005015083	0	33	0.0	-16.23	280.45	4.59	-11.64
O=C(CCS(=O)(=O)C1=NNC=N1)NC1=CC=CC(F)=C1	REAL250005015084	0	31	0.0	-22.98	289.39	1.87	-21.11
NS(=O)(=O)CCCS(=O)(=O)C1=NNC=N1	REAL250005015085	0	25	0.0	-28.44	246.16	-4.49	-32.93
CN(C)S(=O)(=O)CCCS(=O)(=O)C1=NNC=N1	REAL250005015086	0	31	0.0	-26.03	287.22	-1.41	-27.44
O=S(=O)(CC1=NC=CN1CC(F)(F)F)C1=NNC=N1	REAL250005015087	0	27	0.0	-20.79	265.07	2.28	-18.51
CC1=NN(C)C(Cl)=C1CS(=O)(=O)C1=NNC=N1	REAL250005015088	0	27	0.0	-18.05	265.85	1.39	-16.66
CS(=O)(=O)CCCS(=O)(=O)C1=NNC=N1	REAL250005015089	0	26	0.0	-29.13	252.92	-1.94	-31.07
O=S(=O)(CC1=C(Cl)SN=N1)C1=NNC=N1	REAL250005015090	0	19	0.0	-17.23	222.58	-0.30	-17.53
CC1=CN(CCCCCS(=O)(=O)C2=NNC=N2)N=C1	REAL250005015091	0	36	0.0	-21.87	316.56	3.75	-18.12
O=S(=O)(CC1=CC(F)=CC2=C1OCOC2)C1=NNC=N1	REAL250005015092	0	30	0.0	-18.38	277.26	1.96	-16.42
CC1=CC(C)=CC(CS(=O)(=O)C2=NNC=N2)=C1	REAL250005015093	0	30	0.0	-17.06	270.51	4.08	-12.98
O=S(=O)(CC1=NC=C(C2=CC=CS2)O1)C1=NNC=N1	REAL250005015094	0	27	0.0	-21.04	274.51	0.34	-20.70
COC1=CC=C([N+](=O)[O-])C=C1CS(=O)(=O)C1=NNC=N1	REAL250005015095	0	30	0.0	-21.33	284.08	2.79	-18.54
CN(C)C(=O)CCCCS(=O)(=O)C1=NNC=N1	REAL250005015096	0	33	0.0	-21.87	288.17	1.59	-20.28
COCCC1=NOC(CS(=O)(=O)C2=NNC=N2)=N1	REAL250005015097	0	29	0.0	-19.34	274.43	-1.98	-21.32
CN1C(Cl)=CN=C1CS(=O)(=O)C1=NNC=N1	REAL250005015098	0	24	0.0	-19.43	243.80	1.43	-18.00
O=C(CS(=O)(=O)C1=NNC=N1)NCC1CCC1	REAL250005015100	0	31	0.0	-23.54	275.45	0.18	-23.36
CNC(=O)C1=CC=C(CS(=O)(=O)C2=NNC=N2)C=C1	REAL250005015101	0	31	0.0	-23.41	284.17	1.03	-22.38
O=C1NC2=CC=CC=C2C=C1CS(=O)(=O)C1=NNC=N1	REAL250005015102	0	30	0.0	-25.76	275.41	2.63	-23.13
CCCCNC(=O)CCS(=O)(=O)C1=NNC=N1	REAL250005015103	0	33	0.0	-19.29	291.88	0.46	-18.83
CCC1=NN=C(C(C)S(=O)(=O)C2=NNC=N2)O1	REAL250005015104	0	28	0.0	-20.81	259.16	-3.04	-23.85
O=S(=O)(CC1=NOC2=C1CCCC2)C1=NNC=N1	REAL250005015105	0	30	0.0	-19.44	266.08	2.76	-16.68
CCC(C1=CC=CC=C1)S(=O)(=O)C1=NNC=N1	REAL250005015106	0	30	0.0	-15.98	262.13	3.86	-12.12
O=S(=O)(CC1=CC=C2CCCC2=C1)C1=NNC=N1	REAL250005015107	0	31	0.0	-17.42	273.24	4.67	-12.75
CC(C)N1C=CC(CS(=O)(=O)C2=NNC=N2)=N1	REAL250005015108	0	30	0.0	-20.80	270.77	1.81	-18.99
CC1=CC=CC(CNC(=O)CS(=O)(=O)C2=NNC=N2)=C1	REAL250005015109	0	34	0.0	-23.14	308.53	1.80	-21.34
CNC(=O)C1=CC=CC(CS(=O)(=O)C2=NNC=N2)=C1	REAL250005015110	0	31	0.0	-25.11	284.18	1.02	-24.09
CCOC(C)C1=NOC(CS(=O)(=O)C2=NNC=N2)=N1	REAL250005015111	0	32	0.0	-20.53	295.04	-1.17	-21.70
CC1=CC=CC(C)=C1CS(=O)(=O)C1=NNC=N1	REAL250005015112	0	30	0.0	-16.22	257.83	3.97	-12.25
CC(C1=CC=C(F)C(F)=C1)S(=O)(=O)C1=NNC=N1	REAL250005015113	0	27	0.0	-18.73	254.40	3.34	-15.39
CC1=CC=C(CCS(=O)(=O)C2=NNC=N2)C=C1	REAL250005015114	0	30	0.0	-16.34	270.60	4.22	-12.12
O=S(=O)(CCCC1=CC=C(Cl)C=C1)C1=NNC=N1	REAL250005015115	0	30	0.0	-18.51	287.43	4.84	-13.67
CCC(C1=CC=C(F)C=C1)S(=O)(=O)C1=NNC=N1	REAL250005015116	0	30	0.0	-16.07	268.43	3.93	-12.14
CCC(C1=CC=C(F)C=C1F)S(=O)(=O)C1=NNC=N1	REAL250005015117	0	30	0.0	-19.09	268.54	4.54	-14.55
CCC1=NOC(C(C)S(=O)(=O)C2=NNC=N2)=N1	REAL250005015118	0	28	0.0	-17.58	259.50	-0.58	-18.16
O=S(=O)(CCCOCCC1=CC=CC=C1)C1=NNC=N1	REAL250005015119	0	37	0.0	-18.08	326.22	4.38	-13.70
O=S(=O)(CC1=CC=C(F)C(F)=C1)C1=NNC=N1	REAL250005015120	0	24	0.0	-18.97	240.41	2.87	-16.10
O=S(=O)(CC1=CC=CC(Cl)=N1)C1=NNC=N1	REAL250005015121	0	23	0.0	-20.61	239.56	1.34	-19.27
O=C(CS(=O)(=O)C1=NNC=N1)N(C1CC1)C1CCCC1	REAL250005015122	0	38	0.0	-23.00	309.26	3.48	-19.52
O=S(=O)(CC1=NN=C(C2CC2)O1)C1=NNC=N1	REAL250005015123	0	26	0.0	-21.36	251.20	-2.68	-24.04
O=S(=O)(CCOC1CCCCCC1)C1=NNC=N1	REAL250005015124	0	37	0.0	-14.83	297.57	2.93	-11.90
O=S(=O)(CC1=NC(CC(F)(F)F)=NO1)C1=NNC=N1	REAL250005015125	0	25	0.0	-20.11	259.76	-0.76	-20.87
CC1=NC(C)=C(CS(=O)(=O)C2=NNC=N2)S1	REAL250005015126	0	26	0.0	-17.97	253.17	1.19	-16.78
CC1=CC=CC(C(C)S(=O)(=O)C2=NNC=N2)=C1	REAL250005015127	0	30	0.0	-16.18	262.38	3.83	-12.35
O=S(=O)(CC1=CC(Cl)=CC=C1Cl)C1=NNC=N1	REAL250005015128	0	24	0.0	-15.87	257.86	3.72	-12.15
COCC1=NC(CS(=O)(=O)C2=NNC=N2)=CS1	REAL250005015129	0	27	0.0	-19.96	267.94	-0.52	-20.48
CC(C)N(C)C(=O)C(C)S(=O)(=O)C1=NNC=N1	REAL250005015130	0	33	0.0	-23.06	276.52	1.57	-21.49
COC(C)C1=NC(CS(=O)(=O)C2=NNC=N2)=CS1	REAL250005015131	0	30	0.0	-19.39	287.96	0.20	-19.19
COC(C)C1=NOC(CS(=O)(=O)C2=NNC=N2)=N1	REAL250005015132	0	29	0.0	-20.69	273.19	-2.14	-22.83
CNC(=O)CC1=NOC(CS(=O)(=O)C2=NNC=N2)=N1	REAL250005015133	0	29	0.0	-29.35	278.97	-3.69	-33.04
O=S(=O)(CC1=CN2C=C(Cl)C=CC2=N1)C1=NNC=N1	REAL250005015134	0	27	0.0	-21.72	271.40	3.73	-17.99
CN(CC(F)(F)F)C(=O)CS(=O)(=O)C1=NNC=N1	REAL250005015135	0	27	0.0	-26.08	260.91	0.63	-25.45
CC(C)CN(C(=O)CS(=O)(=O)C1=NNC=N1)C1CC1	REAL250005015136	0	37	0.0	-23.65	306.70	2.91	-20.74
CC(C1CC1)N(C(=O)CS(=O)(=O)C1=NNC=N1)C1CC1	REAL250005015137	0	38	0.0	-22.37	313.43	3.59	-18.78
CC(C)CC(C)N(C)C(=O)CS(=O)(=O)C1=NNC=N1	REAL250005015138	0	39	0.0	-24.05	319.81	3.20	-20.85
CC(C1=NC=C(C(C)(C)C)O1)S(=O)(=O)C1=NNC=N1	REAL250005015139	0	35	0.0	-18.74	303.72	0.69	-18.05
CC1=C(CCS(=O)(=O)C2=NNC=N2)SC=N1	REAL250005015140	0	26	0.0	-17.45	253.17	1.28	-16.17
O=S(=O)(CC1=CC=C(F)C=C1F)C1=NNC=N1	REAL250005015141	0	24	0.0	-17.63	239.43	2.85	-14.78
O=S(=O)(CC1CC2=CC=CC=C2O1)C1=NNC=N1	REAL250005015142	0	29	0.0	-20.82	262.52	2.80	-18.02
CC1=C(CS(=O)(=O)C2=NNC=N2)C2=CC=CC=C2C=C1	REAL250005015143	0	33	0.0	-18.29	283.22	5.57	-12.72
O=S(=O)(CC1=NN(C2CCCC2)C=C1)C1=NNC=N1	REAL250005015144	0	34	0.0	-20.31	291.95	3.00	-17.31
CC1=C(C)SC(CS(=O)(=O)C2=NNC=N2)=N1	REAL250005015145	0	26	0.0	-18.75	253.18	1.17	-17.58
O=[N+]([O-])C1=CC=CC(CS(=O)(=O)C2=NNC=N2)=C1	REAL250005015146	0	26	0.0	-22.15	255.91	3.43	-18.72
CS(=O)(=O)CCCCS(=O)(=O)C1=NNC=N1	REAL250005015147	0	29	0.0	-26.62	274.42	-1.15	-27.77
CC(CS(C)(=O)=O)CS(=O)(=O)C1=NNC=N1	REAL250005015148	0	29	0.0	-28.08	263.06	-1.07	-29.15
CC(C)C1=CN=C(CS(=O)(=O)C2=NNC=N2)O1	REAL250005015149	0	29	0.0	-19.84	267.39	-0.29	-20.13
CCC1=NOC(C)=C1CS(=O)(=O)C1=NNC=N1	REAL250005015150	0	29	0.0	-18.17	259.09	2.44	-15.73
CC(C)(C)CCNC(=O)CS(=O)(=O)C1=NNC=N1	REAL250005015151	0	36	0.0	-23.63	303.95	0.54	-23.09
CC(NC(=O)CS(=O)(=O)C1=NNC=N1)C(=O)N(C)C	REAL250005015152	0	34	0.0	-23.98	300.41	-1.71	-25.69
O=S(=O)(CC1=CN(C2=CC=CC=C2)N=C1)C1=NNC=N1	REAL250005015153	0	31	0.0	-21.85	286.53	3.94	-17.91
O=S(=O)(CC1=CC2=CC=CC=C2O1)C1=NNC=N1	REAL250005015154	0	27	0.0	-20.48	255.58	3.25	-17.23
CC(C1=NC(C2=NNC=N2)=NO1)S(=O)(=O)C1=NNC=N1	REAL250005015155	0	28	0.0	-25.27	272.75	-1.03	-26.30
O=C(NCCS(=O)(=O)C1=NNC=N1)C1CCCC1	REAL250005015156	0	34	0.0	-22.56	291.92	0.79	-21.77
O=S(=O)(CC1=NOC(C2=CC=CC=C2)=N1)C1=NNC=N1	REAL250005015157	0	29	0.0	-19.94	278.75	1.26	-18.68
O=S(=O)(CC1=CN=C(Cl)S1)C1=NNC=N1	REAL250005015158	0	20	0.0	-17.49	229.53	0.49	-17.00
CC1CC(C)CC(CCS(=O)(=O)C2=NNC=N2)C1	REAL250005015159	0	39	0.0	-15.47	311.65	4.93	-10.54
CC(C)S(=O)(=O)CCCS(=O)(=O)C1=NNC=N1	REAL250005015160	0	32	0.0	-28.06	291.62	-0.43	-28.49
CN1N=CC(CS(=O)(=O)C2=NNC=N2)=C1C(F)(F)F	REAL250005015161	0	27	0.0	-18.09	257.26	1.35	-16.74
CC(C1=CC=CC(Cl)=C1)S(=O)(=O)C1=NNC=N1	REAL250005015162	0	27	0.0	-15.45	257.68	3.67	-11.78
COC1=CC=C(CS(=O)(=O)C2=NNC=N2)C=C1Cl	REAL250005015163	0	28	0.0	-19.31	273.23	2.60	-16.71
CC(C)(C)OC1=CC=CC(CS(=O)(=O)C2=NNC=N2)=N1	REAL250005015164	0	36	0.0	-18.80	308.90	2.92	-15.88
NC(=O)NC(=O)OCCCS(=O)(=O)C1=NNC=N1	REAL250005015165	0	29	0.0	-28.60	274.91	-3.27	-31.87
CCC(CC)N1C=CC(CS(=O)(=O)C2=NNC=N2)=N1	REAL250005015166	0	36	0.0	-20.62	307.91	3.17	-17.45
O=S(=O)(CC1=NOC(C2CCCCC2)=N1)C1=NNC=N1	REAL250005015167	0	35	0.0	-18.36	303.20	1.46	-16.90
O=S(=O)(C1=NNC=N1)C1CCC2=C(Cl)C=CC=C21	REAL250005015168	0	28	0.0	-16.20	265.20	4.32	-11.88
O=S(=O)(CC1=NC(C2CCCC2)=NO1)C1=NNC=N1	REAL250005015169	0	32	0.0	-19.08	284.84	0.71	-18.37
O=S(=O)(CC1=NC(C(F)(F)F)=CS1)C1=NNC=N1	REAL250005015170	0	23	0.0	-19.40	253.11	0.88	-18.52
CC1=NC(CS(=O)(=O)C2=NNC=N2)=C(C)S1	REAL250005015171	0	26	0.0	-18.70	251.88	1.23	-17.47
O=S(=O)(CC1=NN=C(C2CC2)N1C1CC1)C1=NNC=N1	REAL250005015172	0	34	0.0	-24.14	304.11	4.50	-19.64
COC1=CC=CC=C1CCCS(=O)(=O)C1=NNC=N1	REAL250005015173	0	34	0.0	-18.56	299.02	3.68	-14.88
COCC1=NC(CS(=O)(=O)C2=NNC=N2)=NO1	REAL250005015174	0	26	0.0	-21.56	252.93	-2.76	-24.32
O=S(=O)(CC1=CC=C(CF)C=C1)C1=NNC=N1	REAL250005015175	0	27	0.0	-18.00	255.68	3.57	-14.43
CC1=NNC(C)=C1NC(=O)CS(=O)(=O)C1=NNC=N1	REAL250005015176	0	31	0.0	-28.52	289.10	-1.37	-29.89
CCCN1C(C)=NN=C1CS(=O)(=O)C1=NNC=N1	REAL250005015177	0	32	0.0	-23.36	285.28	3.27	-20.09
O=S(=O)(CC1=NC=C(Cl)C=C1Cl)C1=NNC=N1	REAL250005015178	0	23	0.0	-15.82	252.96	1.85	-13.97
CC(C)CN1N=CN=C1CS(=O)(=O)C1=NNC=N1	REAL250005015179	0	32	0.0	-19.59	279.84	2.75	-16.84
O=S(=O)(CC1=NN(C2=CC=CC=C2)C=N1)C1=NNC=N1	REAL250005015180	0	30	0.0	-23.73	281.63	4.32	-19.41
CC(C)C1=C(CS(=O)(=O)C2=NNC=N2)N=CO1	REAL250005015181	0	29	0.0	-19.74	264.82	-0.52	-20.26
O=S(=O)(CC1=CC=C(CO)C=C1)C1=NNC=N1	REAL250005015182	0	28	0.0	-19.01	260.51	0.08	-18.93
CC1=NOC(C)=C1CCS(=O)(=O)C1=NNC=N1	REAL250005015184	0	29	0.0	-18.87	266.48	2.31	-16.56
O=S(=O)(CC1=CSC(C2CC2)=N1)C1=NNC=N1	REAL250005015185	0	27	0.0	-19.18	264.17	1.95	-17.23
O=S(=O)(CC1=NC=C(C2CC2)O1)C1=NNC=N1	REAL250005015186	0	27	0.0	-19.97	256.72	-0.12	-20.09
O=C(NCCCS(=O)(=O)C1=NNC=N1)C1CCCC1	REAL250005015187	0	37	0.0	-21.16	313.44	1.57	-19.59
O=S(=O)(CC1=NC(Cl)=CC=C1Cl)C1=NNC=N1	REAL250005015188	0	23	0.0	-17.85	253.07	1.79	-16.06
O=S(=O)(CC1=NN=C(C(F)F)S1)C1=NNC=N1	REAL250005015189	0	22	0.0	-20.82	241.53	-0.21	-21.03
O=S(=O)(CC1=CC=C(C(F)F)C=C1)C1=NNC=N1	REAL250005015190	0	27	0.0	-19.33	261.86	3.69	-15.64
O=S(=O)(CCCOCC1=CC=CC=C1)C1=NNC=N1	REAL250005015191	0	34	0.0	-19.00	304.72	3.60	-15.40
O=S(=O)(CCCC1=CC=CC=C1Cl)C1=NNC=N1	REAL250005015192	0	30	0.0	-18.09	283.38	4.69	-13.40
CCC1=NN=C(CS(=O)(=O)C2=NNC=N2)S1	REAL250005015193	0	25	0.0	-20.42	250.37	0.28	-20.14
O=S(=O)(CC1=NN=NN1CC1CC1)C1=NNC=N1	REAL250005015194	0	29	0.0	-22.75	264.05	1.26	-21.49
COCC1=NOC(C(C)S(=O)(=O)C2=NNC=N2)=N1	REAL250005015195	0	29	0.0	-18.46	271.16	-2.27	-20.73
O=S(=O)(CC1=NC(C2CC2)=CS1)C1=NNC=N1	REAL250005015196	0	27	0.0	-18.46	263.34	1.93	-16.53
CC1=CC=C(CS(=O)(=O)C2=NNC=N2)C=C1C	REAL250005015197	0	30	0.0	-17.29	266.11	3.96	-13.33
CC(C1=NN=NN1C1CC1)S(=O)(=O)C1=NNC=N1	REAL250005015198	0	29	0.0	-24.57	266.90	0.71	-23.86
O=S(=O)(CC1=NN=NN1CC(F)(F)F)C1=NNC=N1	REAL250005015199	0	25	0.0	-22.14	257.44	0.01	-22.13
COC(=O)C1=CC=CC=C1CCS(=O)(=O)C1=NNC=N1	REAL250005015200	0	33	0.0	-19.89	295.10	3.94	-15.95
CC1=CC(F)=CC=C1CS(=O)(=O)C1=NNC=N1	REAL250005015201	0	27	0.0	-16.76	249.77	3.41	-13.35
O=S(=O)(CC1=NC=C(Cl)S1)C1=NNC=N1	REAL250005015202	0	20	0.0	-16.75	229.55	0.48	-16.27
CC1=CC(Cl)=CC=C1CS(=O)(=O)C1=NNC=N1	REAL250005015203	0	27	0.0	-16.34	260.09	3.86	-12.48
COC1=CC=CC(CS(=O)(=O)C2=NNC=N2)=N1	REAL250005015204	0	27	0.0	-19.91	254.90	-0.60	-20.51
O=S(=O)(CC1=NC=NN1CCF)C1=NNC=N1	REAL250005015205	0	26	0.0	-20.09	250.98	1.99	-18.10
COC1=CC=C(CS(=O)(=O)C2=NNC=N2)N=N1	REAL250005015206	0	26	0.0	-21.86	249.88	-1.93	-23.79
CC(C)(C)N1N=CN=C1CS(=O)(=O)C1=NNC=N1	REAL250005015207	0	32	0.0	-19.33	266.17	2.97	-16.36
O=S(=O)(CC1=NN=C2CCCCN12)C1=NNC=N1	REAL250005015208	0	30	0.0	-24.48	265.13	2.69	-21.79
N#CC1(CCCS(=O)(=O)C2=NNC=N2)CCOCC1	REAL250005015209	0	35	0.0	-24.46	296.58	1.83	-22.63
CC(C)N1N=CN=C1CS(=O)(=O)C1=NNC=N1	REAL250005015210	0	29	0.0	-20.13	265.47	2.51	-17.62
O=S(=O)(CC1=NN=C2CCCCCN12)C1=NNC=N1	REAL250005015211	0	33	0.0	-24.06	278.29	2.99	-21.07
CC1=CC=C(CS(=O)(=O)C2=NNC=N2)C(Cl)=C1	REAL250005015212	0	27	0.0	-16.71	262.59	3.87	-12.84
COC(=O)C1=CC=CC(CS(=O)(=O)C2=NNC=N2)=N1	REAL250005015213	0	29	0.0	-23.09	278.46	1.52	-21.57
O=S(=O)(CC1=NC=NN1C1=CC=CC=C1)C1=NNC=N1	REAL250005015214	0	30	0.0	-21.86	278.82	4.26	-17.60
CC(C)(C#N)CCCCS(=O)(=O)C1=NNC=N1	REAL250005015215	0	33	0.0	-22.49	286.80	3.38	-19.11
O=S(=O)(CC1=NC(C2=CC=CS2)=NN1)C1=NNC=N1	REAL250005015216	0	27	0.0	-22.24	274.50	1.64	-20.60
O=S(=O)(CC1=C(C2CC2)ON=C1)C1=NNC=N1	REAL250005015217	0	27	0.0	-18.52	255.08	2.51	-16.01
CC1=CC(NC(=O)CS(=O)(=O)C2=NNC=N2)=CC(C)=C1	REAL250005015218	0	34	0.0	-25.24	304.12	2.36	-22.88
CC(CCS(=O)(=O)C1=NNC=N1)OCC1=CC=CC=C1	REAL250005015219	0	37	0.0	-18.20	324.26	4.37	-13.83
CC1=NN(C)C(NC(=O)CS(=O)(=O)C2=NNC=N2)=C1	REAL250005015220	0	31	0.0	-28.45	283.34	0.27	-28.18
CCCN1N=CN=C1CS(=O)(=O)C1=NNC=N1	REAL250005015222	0	29	0.0	-20.13	266.57	2.57	-17.56
O=S(=O)(CC1=NC=CN1C1=CC=CC=C1)C1=NNC=N1	REAL250005015223	0	31	0.0	-21.16	285.19	4.36	-16.80
CCCCCCCCCS(=O)(=O)C1=NNC=N1	REAL250005015224	0	38	0.0	-15.74	318.28	5.20	-10.54
CC1=NC(CS(=O)(=O)C2=NNC=N2)=NC2=CC=CC=C12	REAL250005015225	0	31	0.0	-23.82	282.41	2.58	-21.24
O=S(=O)(CC1=CC=CC(C(F)F)=C1)C1=NNC=N1	REAL250005015226	0	27	0.0	-20.23	261.87	3.69	-16.54
COC1=CC=C(CCS(=O)(=O)C2=NNC=N2)C=C1	REAL250005015227	0	31	0.0	-17.84	278.70	2.84	-15.00
COC1=CC=NC(CS(=O)(=O)C2=NNC=N2)=C1OC	REAL250005015228	0	31	0.0	-21.89	282.08	0.12	-21.77
O=S(=O)(C1=NNC=N1)C1CCC2=CC(Cl)=CC=C21	REAL250005015229	0	28	0.0	-16.51	265.39	4.36	-12.15
O=S(=O)(CC1=CC=NC(Cl)=C1)C1=NNC=N1	REAL250005015230	0	23	0.0	-19.28	239.45	1.41	-17.87
COC1=NC(C)=CC(C)=C1CS(=O)(=O)C1=NNC=N1	REAL250005015231	0	33	0.0	-19.44	289.83	0.79	-18.65
O=S(=O)(CC[C@@H](O)C1=CC=CC=C1)C1=NNC=N1	REAL250005015232	0	31	0.0	-18.16	277.98	1.19	-16.97
O=S(=O)(CC1=CC=C(C(F)(F)F)C=N1)C1=NNC=N1	REAL250005015233	0	26	0.0	-18.67	261.59	1.86	-16.81
O=C(CS(=O)(=O)C1=NNC=N1)NC(C1CC1)C1CC1	REAL250005015234	0	35	0.0	-23.11	304.20	1.91	-21.20
CCC(C)(C)C1=CC=C(CS(=O)(=O)C2=NNC=N2)C=C1	REAL250005015235	0	39	0.0	-16.63	318.13	5.55	-11.08
O=S(=O)(CC1CCCS(=O)(=O)C1)C1=NNC=N1	REAL250005015236	0	30	0.0	-28.95	265.27	-0.78	-29.73
CCOC1=CC=C(CS(=O)(=O)C2=NNC=N2)N=C1	REAL250005015237	0	30	0.0	-19.42	274.14	1.11	-18.31
O=S(=O)(CC1=CC=C(Cl)C=N1)C1=NNC=N1	REAL250005015238	0	23	0.0	-18.26	239.45	1.40	-16.86
COC1=CC(C)=NC(CS(=O)(=O)C2=NNC=N2)=C1	REAL250005015239	0	30	0.0	-20.05	274.06	0.84	-19.21
CCN1N=NC(C)=C1CS(=O)(=O)C1=NNC=N1	REAL250005015240	0	29	0.0	-21.05	263.78	0.56	-20.49
O=S(=O)(CC1=NN=C(C2CC2)S1)C1=NNC=N1	REAL250005015241	0	26	0.0	-20.55	260.20	1.14	-19.41
COC1=CC(CS(=O)(=O)C2=NNC=N2)=CC=C1Cl	REAL250005015242	0	28	0.0	-18.64	273.23	2.60	-16.04
O=S(=O)(CC1=C(Cl)C=CS1)C1=NNC=N1	REAL250005015243	0	21	0.0	-16.09	233.20	2.29	-13.80
COC1=CC=NC(CS(=O)(=O)C2=NNC=N2)=N1	REAL250005015244	0	26	0.0	-19.85	250.00	-1.60	-21.45
O=[N+]([O-])C1=CC=CC=C1CS(=O)(=O)C1=NNC=N1	REAL250005015245	0	26	0.0	-21.74	248.41	3.93	-17.81
O=S(=O)(CCC1=CC=C(Cl)C=C1)C1=NNC=N1	REAL250005015246	0	27	0.0	-16.74	265.93	4.06	-12.68
CC(C)C1=NN=C(CS(=O)(=O)C2=NNC=N2)S1	REAL250005015247	0	28	0.0	-20.12	271.19	0.87	-19.25
O=C1NC2CCCCC2CC1S(=O)(=O)C1=NNC=N1	REAL250005015248	0	35	0.0	-17.77	282.17	0.67	-17.10
CC1=NN(C)C(C)=C1NC(=O)CS(=O)(=O)C1=NNC=N1	REAL250005015249	0	34	0.0	-29.69	305.94	-0.24	-29.93
CC1=CC=CC(Cl)=C1CS(=O)(=O)C1=NNC=N1	REAL250005015250	0	27	0.0	-16.43	256.85	3.79	-12.64
CC(C)(C)C1=NN=C(CS(=O)(=O)C2=NNC=N2)N1	REAL250005015251	0	32	0.0	-23.06	284.56	1.66	-21.40
O=S(=O)(CC1CCCCC1(F)F)C1=NNC=N1	REAL250005015252	0	30	0.0	-14.99	256.18	3.23	-11.76
O=S(=O)(CC1=CC=CC(F)=C1Cl)C1=NNC=N1	REAL250005015253	0	24	0.0	-18.46	247.08	3.25	-15.21
CC(C)C1=NN=C(CS(=O)(=O)C2=NNC=N2)N1	REAL250005015254	0	29	0.0	-22.94	264.42	1.19	-21.75
O=S(=O)(CC1=CC(Cl)=NC(Cl)=C1)C1=NNC=N1	REAL250005015255	0	23	0.0	-18.64	256.34	1.85	-16.79
COCCC1=NC(CS(=O)(=O)C2=NNC=N2)=NO1	REAL250005015256	0	29	0.0	-19.21	274.43	-1.97	-21.18
O=S(=O)(CC1=CN=NN1C1=CC=CC=C1)C1=NNC=N1	REAL250005015257	0	30	0.0	-22.93	278.01	2.38	-20.55
O=S(=O)(CC[C@H](O)C1=CC=CC=C1)C1=NNC=N1	REAL250005015258	0	31	0.0	-18.21	277.80	1.20	-17.01
CC(C1=CC=C(C(C)(C)C)C=C1)S(=O)(=O)C1=NNC=N1	REAL250005015259	0	39	0.0	-15.80	317.17	5.51	-10.29
CC(C1=CC=C2CCCC2=C1)S(=O)(=O)C1=NNC=N1	REAL250005015260	0	34	0.0	-16.37	286.52	5.07	-11.30
CC1NC(=O)N(CCS(=O)(=O)C2=NNC=N2)C1=O	REAL250005015261	0	29	0.0	-21.49	270.46	-1.58	-23.07
CC(CS(=O)(=O)C1=NNC=N1)S(C)(=O)=O	REAL250005015262	0	26	0.0	-27.68	239.45	-0.94	-28.62
O=C1C=C(CS(=O)(=O)C2=NNC=N2)N=C(C2CC2)N1	REAL250005015263	0	30	0.0	-22.50	279.72	1.02	-21.48
CCOC(=O)C1=NOC(CS(=O)(=O)C2=NNC=N2)=N1	REAL250005015264	0	28	0.0	-21.76	276.49	-0.79	-22.55
COC1=CC=C(NC(=O)CS(=O)(=O)C2=NNC=N2)C=C1	REAL250005015265	0	32	0.0	-26.89	290.55	0.30	-26.59
CNC(=O)NC(=O)C(C)S(=O)(=O)C1=NNC=N1	REAL250005015266	0	28	0.0	-33.43	259.93	-1.86	-35.29
CCNC(=O)NC(=O)C(C)S(=O)(=O)C1=NNC=N1	REAL250005015267	0	31	0.0	-32.67	281.42	-1.02	-33.69
CC(C(=O)NC(=O)NC1CC1)S(=O)(=O)C1=NNC=N1	REAL250005015270	0	32	0.0	-32.20	290.91	-0.08	-32.28
COC1=CC(CS(=O)(=O)C2=NNC=N2)=CC=N1	REAL250005015271	0	27	0.0	-19.37	254.79	-0.54	-19.91
N#CC1(CCS(=O)(=O)C2=NNC=N2)CCCCC1	REAL250005015272	0	34	0.0	-20.72	283.42	3.38	-17.34
O=S(=O)(CC1=C(Cl)SC(Cl)=C1)C1=NNC=N1	REAL250005015273	0	21	0.0	-14.91	250.12	2.86	-12.05
CC(C)CNC(=O)CCCS(=O)(=O)C1=NNC=N1	REAL250005015274	0	36	0.0	-24.23	310.76	1.20	-23.03
CC1=C(CS(=O)(=O)C2=NNC=N2)C=CC=C1[N+](=O)[O-]	REAL250005015275	0	29	0.0	-21.28	265.07	3.88	-17.40
O=S(=O)(CC1=NC(C(F)F)=NO1)C1=NNC=N1	REAL250005015276	0	22	0.0	-20.58	232.41	-1.51	-22.09
CC1=CC=C(CS(=O)(=O)C2=NNC=N2)C(C)=C1	REAL250005015277	0	30	0.0	-16.63	264.79	4.00	-12.63
CN1N=C(C2CC2)N=C1CS(=O)(=O)C1=NNC=N1	REAL250005015278	0	30	0.0	-22.01	276.27	2.34	-19.67
CC(C)NC(=O)NCCS(=O)(=O)C1=NNC=N1	REAL250005015279	0	32	0.0	-23.45	285.56	-1.60	-25.05
CC(C)C1=NC(CS(=O)(=O)C2=NNC=N2)=CO1	REAL250005015280	0	29	0.0	-20.28	267.41	-0.58	-20.86
CC(C)(C)N1N=NC(CS(=O)(=O)C2=NNC=N2)=N1	REAL250005015281	0	31	0.0	-20.99	281.06	0.48	-20.51
O=S(=O)(CC1=NN2CCCC2=C1)C1=NNC=N1	REAL250005015282	0	28	0.0	-22.69	254.23	1.23	-21.46
CC1=NOC(CCCS(=O)(=O)C2=NNC=N2)=N1	REAL250005015283	0	28	0.0	-22.47	262.27	-0.09	-22.56
O=S(=O)(CC1=NN2CCCCC2=C1)C1=NNC=N1	REAL250005015284	0	31	0.0	-21.23	272.30	2.05	-19.18
COC1=CC=CC(CS(=O)(=O)C2=NNC=N2)=C1Cl	REAL250005015285	0	28	0.0	-19.24	270.05	2.54	-16.70
CC1=CC=C(CS(=O)(=O)C2=NNC=N2)C(Cl)=N1	REAL250005015286	0	26	0.0	-19.64	257.82	1.97	-17.67
CC(C1=CC=C(Cl)C=C1)S(=O)(=O)C1=NNC=N1	REAL250005015287	0	27	0.0	-15.94	258.42	3.73	-12.21
CC(C)(C)N1C=C(CS(=O)(=O)C2=NNC=N2)C=N1	REAL250005015288	0	33	0.0	-20.24	290.46	2.54	-17.70
CC1=CC(CS(=O)(=O)C2=NNC=N2)=NC(C)=N1	REAL250005015289	0	28	0.0	-20.02	261.03	1.29	-18.73
CCC1=NN=C(C(C)S(=O)(=O)C2=NNC=N2)N1	REAL250005015290	0	29	0.0	-25.81	262.47	1.07	-24.74
O=S(=O)(CC1=NN(CC(F)(F)F)N=N1)C1=NNC=N1	REAL250005015291	0	25	0.0	-21.97	260.62	-0.27	-22.24
CC1=CC(CS(=O)(=O)C2=NNC=N2)=CC(Cl)=N1	REAL250005015292	0	26	0.0	-19.05	261.07	2.02	-17.03
COCCOCCOCCCS(=O)(=O)C1=NNC=N1	REAL250005015293	0	38	0.0	-21.03	333.92	0.14	-20.89
CN1N=C(CS(=O)(=O)C2=NNC=N2)C=C1Cl	REAL250005015294	0	24	0.0	-18.95	246.72	0.78	-18.17
C[C@@H](NC(=O)CS(=O)(=O)C1=NNC=N1)C1=CC=CC=C1	REAL250005015295	0	34	0.0	-23.81	304.61	1.97	-21.84
CN(C(=O)CCS(=O)(=O)C1=NNC=N1)C1=CC=CC=C1	REAL250005015296	0	34	0.0	-20.85	304.87	3.54	-17.31
O=S(=O)(CC1=CC=C(F)C(Cl)=C1)C1=NNC=N1	REAL250005015297	0	24	0.0	-18.18	250.29	3.31	-14.87
O=S(=O)(CC1=CC=CN=C1C(F)(F)F)C1=NNC=N1	REAL250005015298	0	26	0.0	-19.90	251.29	2.08	-17.82
COC1=CC=CC=C1OCCS(=O)(=O)C1=NNC=N1	REAL250005015300	0	32	0.0	-18.78	286.91	2.24	-16.54
COC1=CC(CS(=O)(=O)C2=NNC=N2)=NC=C1C	REAL250005015301	0	30	0.0	-19.41	272.73	0.94	-18.47
O=S(=O)(CC1=NC=CC=C1Cl)C1=NNC=N1	REAL250005015302	0	23	0.0	-18.54	236.28	1.35	-17.19
CC(C)C1=CC=CC(CS(=O)(=O)C2=NNC=N2)=C1	REAL250005015303	0	33	0.0	-16.84	287.92	4.67	-12.17
NC(=O)C(C1=CC=CC=C1)S(=O)(=O)C1=NNC=N1	REAL250005015304	0	28	0.0	-22.53	256.90	-0.32	-22.85
O=S(=O)(CC1=CSC(Cl)=N1)C1=NNC=N1	REAL250005015305	0	20	0.0	-19.04	229.42	0.25	-18.79
COC1=NC=CC=C1CS(=O)(=O)C1=NNC=N1	REAL250005015306	0	27	0.0	-19.87	253.43	-0.47	-20.34
CCN1C=C(CCS(=O)(=O)C2=NNC=N2)C=N1	REAL250005015307	0	30	0.0	-19.76	273.54	2.20	-17.56
O=S(=O)(CC1=COC(C2CC2)=N1)C1=NNC=N1	REAL250005015308	0	27	0.0	-20.83	256.60	-0.38	-21.21
CC(C)(C)CNC(=O)CS(=O)(=O)C1=NNC=N1	REAL250005015309	0	33	0.0	-23.20	284.60	0.34	-22.86
O=S(=O)(CC1=NOC(C2CCC2)=N1)C1=NNC=N1	REAL250005015310	0	29	0.0	-19.44	265.69	0.19	-19.25
O=S(=O)(CC1=NC=CC=C1C(F)(F)F)C1=NNC=N1	REAL250005015311	0	26	0.0	-18.71	247.48	1.99	-16.72
COC(=O)C1=COC(C(C)S(=O)(=O)C2=NNC=N2)=N1	REAL250005015312	0	29	0.0	-19.57	278.89	-1.46	-21.03
CC1=CC=C(CS(=O)(=O)C2=NNC=N2)N=C1Cl	REAL250005015313	0	26	0.0	-20.59	258.34	1.94	-18.65
CC1=CC(C)=C(CS(=O)(=O)C2=NNC=N2)C(C)=N1	REAL250005015314	0	32	0.0	-18.27	274.89	2.77	-15.50
CC1=CC=C2SC(CS(=O)(=O)C3=NNC=N3)=NC2=C1	REAL250005015315	0	29	0.0	-20.09	280.72	2.84	-17.25
O=S(=O)(CC1=NC(CC2CC2)=NO1)C1=NNC=N1	REAL250005015316	0	29	0.0	-19.04	272.36	0.50	-18.54
CC1=CC=C(CS(=O)(=O)C2=NNC=N2)C=C1F	REAL250005015317	0	27	0.0	-18.04	254.42	3.46	-14.58
CC1=CC=C(CS(=O)(=O)C2=NNC=N2)C=C1C#N	REAL250005015318	0	28	0.0	-20.45	267.71	3.64	-16.81
O=S(=O)(CC1=NC(C2CCC2)=NO1)C1=NNC=N1	REAL250005015319	0	29	0.0	-19.20	267.27	0.26	-18.94
O=S(=O)(CC1=CC=CC2=C1CCOC2)C1=NNC=N1	REAL250005015320	0	32	0.0	-17.52	273.98	2.82	-14.70
O=S(=O)(CC1=C(Cl)C=NC=C1Cl)C1=NNC=N1	REAL250005015321	0	23	0.0	-14.82	250.74	1.86	-12.96
CCC1=CC=C(CS(=O)(=O)C2=NNC=N2)C=C1	REAL250005015322	0	30	0.0	-16.85	270.59	4.20	-12.65
CN1C=CN2C(CS(=O)(=O)C3=NNC=N3)=NN=C2C1=O	REAL250005015323	0	29	0.0	-33.31	275.00	1.88	-31.43
O=C1NC=CN2C(CS(=O)(=O)C3=NNC=N3)=NN=C12	REAL250005015324	0	26	0.0	-32.94	254.55	0.01	-32.93
O=S(=O)(CCC1CCCC1(F)F)C1=NNC=N1	REAL250005015325	0	30	0.0	-18.45	264.44	3.25	-15.20
CC1=NC=C([N+](=O)[O-])N1CCS(=O)(=O)C1=NNC=N1	REAL250005015326	0	29	0.0	-20.54	276.29	3.57	-16.97
O=S(=O)(CC1=NC=CN1CC(F)F)C1=NNC=N1	REAL250005015327	0	27	0.0	-21.10	261.12	2.27	-18.83
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)C1=NNC=N1	REAL250005015328	0	31	0.0	-17.90	279.68	4.28	-13.62
O=S(=O)(CCOC1CCCCC1)C1=NNC=N1	REAL250005015329	0	34	0.0	-14.96	285.22	2.44	-12.52
CC(C)CC1=CC=CC=C1CS(=O)(=O)C1=NNC=N1	REAL250005015330	0	36	0.0	-16.01	298.81	5.17	-10.84
CC1=CC=C(F)C(CS(=O)(=O)C2=NNC=N2)=C1F	REAL250005015331	0	27	0.0	-18.39	258.63	3.47	-14.92
CC(=O)NCCCCCS(=O)(=O)C1=NNC=N1	REAL250005015332	0	33	0.0	-22.98	293.09	0.42	-22.56
CN1N=C(CS(=O)(=O)C2=NNC=N2)C=C1C(F)(F)F	REAL250005015333	0	27	0.0	-18.82	266.44	1.18	-17.64
O=C(CS(=O)(=O)C1=NNC=N1)NC1=NOC=C1	REAL250005015334	0	24	0.0	-24.37	235.43	-0.63	-25.00
NC(=O)C(C1=CC=C(F)C=C1)S(=O)(=O)C1=NNC=N1	REAL250005015335	0	28	0.0	-23.05	263.53	-0.02	-23.07
CN1N=C(C(F)(F)F)C=C1CS(=O)(=O)C1=NNC=N1	REAL250005015336	0	27	0.0	-20.07	269.50	1.28	-18.79
N#CC1(CCCCS(=O)(=O)C2=NNC=N2)CCC1	REAL250005015337	0	34	0.0	-20.82	298.04	4.13	-16.69
CC1(C)CN(C(=O)CS(=O)(=O)C2=NNC=N2)CCO1	REAL250005015338	0	35	0.0	-24.09	293.02	0.44	-23.65
CCC1=C(CS(=O)(=O)C2=NNC=N2)C(C)=NO1	REAL250005015339	0	29	0.0	-18.24	265.83	2.33	-15.91
O=S(=O)(CC1=NOC2=C1COCC2)C1=NNC=N1	REAL250005015340	0	28	0.0	-20.77	257.02	0.39	-20.38
CC(C)OCC1=NOC(CS(=O)(=O)C2=NNC=N2)=N1	REAL250005015341	0	32	0.0	-20.20	295.06	-0.97	-21.17
CN1N=NC(CS(=O)(=O)C2=NNC=N2)=C1C(F)F	REAL250005015342	0	26	0.0	-20.26	250.75	-0.23	-20.49
O=S(=O)(CC1=CC=NN1C1CCCC1)C1=NNC=N1	REAL250005015343	0	34	0.0	-18.70	293.62	3.22	-15.48
O=S(=O)(CC1=CC=NN1CC(F)F)C1=NNC=N1	REAL250005015344	0	27	0.0	-17.84	259.41	1.42	-16.42
CC1=CC(CS(=O)(=O)C2=NNC=N2)=CC=C1Cl	REAL250005015345	0	27	0.0	-17.03	263.17	3.85	-13.18
O=S(=O)(CCC1=CC=C2OCCC2=C1)C1=NNC=N1	REAL250005015346	0	32	0.0	-18.54	285.09	3.38	-15.16
O=C(NCCS(=O)(=O)C1=NNC=N1)C1CCOCC1	REAL250005015347	0	35	0.0	-24.28	301.19	-0.95	-25.23
O=S(=O)(CC1=CN(CCF)N=C1)C1=NNC=N1	REAL250005015348	0	27	0.0	-20.54	258.64	1.53	-19.01
O=S(=O)(CC1=CON=C1C1CC1)C1=NNC=N1	REAL250005015349	0	27	0.0	-19.62	255.97	2.33	-17.29
O=S(=O)(CC1=C2COCCC2=NN1)C1=NNC=N1	REAL250005015350	0	29	0.0	-20.64	260.76	-0.88	-21.52
O=S(=O)(CC1=CC=CC(C(F)(F)F)=N1)C1=NNC=N1	REAL250005015351	0	26	0.0	-21.68	263.19	2.01	-19.67
COC1=CC(C)=NC(CS(=O)(=O)C2=NNC=N2)=N1	REAL250005015352	0	29	0.0	-19.68	271.68	-1.00	-20.68
CC(C)C1=NOC=C1CS(=O)(=O)C1=NNC=N1	REAL250005015353	0	29	0.0	-19.15	265.32	2.00	-17.15
CCOC1=CC(CS(=O)(=O)C2=NNC=N2)=CC=N1	REAL250005015354	0	30	0.0	-19.38	276.64	0.40	-18.98
CC1=CC=C(C(C)S(=O)(=O)C2=NNC=N2)C=C1C	REAL250005015355	0	33	0.0	-16.37	279.38	4.37	-12.00
O=S(=O)(CC1=CC=C2COCCC2=C1)C1=NNC=N1	REAL250005015356	0	32	0.0	-18.26	281.43	2.85	-15.41
CCC(CC)C(=O)NCCCS(=O)(=O)C1=NNC=N1	REAL250005015357	0	39	0.0	-21.12	323.91	1.49	-19.63
CCOCC1=NC(CS(=O)(=O)C2=NNC=N2)=CS1	REAL250005015358	0	30	0.0	-19.87	289.80	0.45	-19.42
CCC1=CC=C([N+](=O)[O-])C=C1CS(=O)(=O)C1=NNC=N1	REAL250005015359	0	32	0.0	-20.03	289.13	4.75	-15.28
CC1=C(CCCS(=O)(=O)C2=NNC=N2)SC=N1	REAL250005015360	0	29	0.0	-19.94	274.67	2.06	-17.88
CC1=CC=C([N+](=O)[O-])C=C1CS(=O)(=O)C1=NNC=N1	REAL250005015361	0	29	0.0	-21.00	270.26	4.08	-16.92
COC(C)(C)C1=NOC(CS(=O)(=O)C2=NNC=N2)=N1	REAL250005015363	0	32	0.0	-21.60	286.47	-1.74	-23.34
CC1=CC(Cl)=NC(CS(=O)(=O)C2=NNC=N2)=C1	REAL250005015364	0	26	0.0	-19.84	261.07	2.00	-17.84
CC(C)(CCS(=O)(=O)C1=NNC=N1)C(F)(F)F	REAL250005015365	0	29	0.0	-17.70	259.46	2.48	-15.22
CC1=CC=CC(CS(=O)(=O)C2=NNC=N2)=C1[N+](=O)[O-]	REAL250005015366	0	29	0.0	-22.16	272.39	4.87	-17.29
CC1=CC=CC=C1CCS(=O)(=O)C1=NNC=N1	REAL250005015367	0	30	0.0	-16.08	265.90	4.06	-12.02
O=S(=O)(CC1=CC2=NC=CC=C2C=C1)C1=NNC=N1	REAL250005015368	0	29	0.0	-21.76	268.81	3.12	-18.64
O=S(=O)(CC1CCS(=O)(=O)C1)C1=NNC=N1	REAL250005015369	0	27	0.0	-27.64	250.03	-1.48	-29.12
CC(C)(C)C1=NOC(CS(=O)(=O)C2=NNC=N2)=C1	REAL250005015370	0	32	0.0	-19.56	285.27	2.78	-16.78
O=S(=O)(CC1=NN=C2CCCN12)C1=NNC=N1	REAL250005015371	0	27	0.0	-25.90	248.29	2.19	-23.71
O=S(=O)(CC1=CN2C=CC=C(F)C2=N1)C1=NNC=N1	REAL250005015372	0	27	0.0	-27.69	261.10	3.29	-24.40
CC(C)(C)C1=CN=CC(CS(=O)(=O)C2=NNC=N2)=C1	REAL250005015373	0	35	0.0	-18.03	299.10	3.25	-14.78
O=S(=O)(CC1=NN(CCF)C=C1)C1=NNC=N1	REAL250005015374	0	27	0.0	-21.19	258.69	1.44	-19.75
CCC1=NC(CS(=O)(=O)C2=NNC=N2)=CC(=O)N1	REAL250005015375	0	29	0.0	-23.16	268.89	0.38	-22.78
COC1=CC(C)=C(CS(=O)(=O)C2=NNC=N2)C=N1	REAL250005015376	0	30	0.0	-18.64	271.18	0.02	-18.62
O=S(=O)(CC1=NC2=C(CCCCC2)S1)C1=NNC=N1	REAL250005015377	0	33	0.0	-18.72	293.58	3.02	-15.70
CC1=CC=C(CS(=O)(=O)C2=NNC=N2)C(F)=C1	REAL250005015378	0	27	0.0	-18.09	254.42	3.46	-14.63
O=S(=O)(CC1=NC2=C(CCCC2)S1)C1=NNC=N1	REAL250005015379	0	30	0.0	-18.60	276.22	2.47	-16.13
O=S(=O)(CCC1=CC=C(Cl)N=C1)C1=NNC=N1	REAL250005015380	0	26	0.0	-19.20	260.91	2.18	-17.02
O=S(=O)(CC1=CC=C2CCOCC2=C1)C1=NNC=N1	REAL250005015381	0	32	0.0	-18.70	281.42	2.85	-15.85
CC1CCC2=C(C1)SC(CS(=O)(=O)C1=NNC=N1)=N2	REAL250005015382	0	33	0.0	-18.20	297.02	3.09	-15.11
CCCN1C=CC(CS(=O)(=O)C2=NNC=N2)=N1	REAL250005015383	0	30	0.0	-21.34	273.60	2.06	-19.28
O=S(=O)(CC1=CC=CC(C2CC2)=C1)C1=NNC=N1	REAL250005015384	0	31	0.0	-17.12	276.92	4.86	-12.26
COCC1=NOC=C1CS(=O)(=O)C1=NNC=N1	REAL250005015385	0	27	0.0	-20.04	257.93	-0.22	-20.26
O=S(=O)(CCC1=CC=CC(Cl)=C1)C1=NNC=N1	REAL250005015386	0	27	0.0	-16.77	265.93	4.05	-12.72
CC1=C(CS(=O)(=O)C2=NNC=N2)C(C(F)(F)F)=CO1	REAL250005015387	0	27	0.0	-17.94	262.64	2.62	-15.32
O=S(=O)(CC1=NC2=C(COCC2)S1)C1=NNC=N1	REAL250005015388	0	28	0.0	-19.59	267.12	0.06	-19.53
COC1=CC=C(F)C(CS(=O)(=O)C2=NNC=N2)=C1	REAL250005015389	0	28	0.0	-18.68	262.51	2.07	-16.61
O=S(=O)(CC1=CN(C2CC2)N=N1)C1=NNC=N1	REAL250005015390	0	27	0.0	-23.84	254.24	0.75	-23.09
CC1(C)CCCN1C(=O)CS(=O)(=O)C1=NNC=N1	REAL250005015391	0	34	0.0	-24.23	285.86	1.85	-22.38
CN(C(=O)CS(=O)(=O)C1=NNC=N1)C1CCCC1	REAL250005015392	0	34	0.0	-24.41	284.12	1.96	-22.45
N#CC1=CC=C(CS(=O)(=O)C2=NNC=N2)C2=CC=CC=C12	REAL250005015393	0	31	0.0	-20.19	289.59	5.16	-15.03
O=S(=O)(CC1=C2SC=CC2=CC=C1)C1=NNC=N1	REAL250005015394	0	27	0.0	-18.53	263.54	4.10	-14.43
O=S(=O)(CC1=CON=C1C1CCC1)C1=NNC=N1	REAL250005015395	0	30	0.0	-19.31	271.41	2.78	-16.53
CN1N=NC(CS(=O)(=O)C2=NNC=N2)=C1C(F)(F)F	REAL250005015396	0	26	0.0	-19.16	252.11	0.07	-19.09
CC1=C(Cl)C=CC=C1CS(=O)(=O)C1=NNC=N1	REAL250005015397	0	27	0.0	-16.82	257.42	3.77	-13.05
CC(F)(F)C1=NOC(CS(=O)(=O)C2=NNC=N2)=N1	REAL250005015398	0	25	0.0	-20.18	252.70	-0.81	-20.99
CC1=NC(Cl)=CC=C1CS(=O)(=O)C1=NNC=N1	REAL250005015399	0	26	0.0	-18.80	255.33	1.94	-16.86
O=S(=O)(CC1=CSC(Cl)=C1)C1=NNC=N1	REAL250005015400	0	21	0.0	-16.73	234.72	2.29	-14.44
COC1=CC=C(C)N=C1CS(=O)(=O)C1=NNC=N1	REAL250005015401	0	30	0.0	-20.64	272.67	0.90	-19.74
CC1=CC(CS(=O)(=O)C2=NNC=N2)=CN=C1Cl	REAL250005015402	0	26	0.0	-19.32	258.20	1.99	-17.33
CC(=O)NC1=CC=CC=C1CS(=O)(=O)C1=NNC=N1	REAL250005015403	0	31	0.0	-20.35	278.39	1.97	-18.38
O=C1CC(C2=CC=C(CS(=O)(=O)C3=NNC=N3)C=C2)C1	REAL250005015404	0	33	0.0	-20.74	296.19	4.45	-16.29
CCC1=CSC(CS(=O)(=O)C2=NNC=N2)=N1	REAL250005015405	0	26	0.0	-18.30	255.43	1.24	-17.06
COC1=NC=C(CS(=O)(=O)C2=NNC=N2)C=C1C	REAL250005015406	0	30	0.0	-19.41	274.88	0.18	-19.23
CC(C)C1=NC=C(CS(=O)(=O)C2=NNC=N2)S1	REAL250005015407	0	29	0.0	-17.69	276.67	2.04	-15.65
COCC1=CC(CS(=O)(=O)C2=NNC=N2)=NO1	REAL250005015408	0	27	0.0	-21.32	258.28	-0.08	-21.40
CC(C)(C)C1=NOC=C1CS(=O)(=O)C1=NNC=N1	REAL250005015409	0	32	0.0	-18.50	270.88	2.40	-16.10
O=S(=O)(CC1=NOC2=C1CCCCC2)C1=NNC=N1	REAL250005015410	0	33	0.0	-18.82	280.08	3.23	-15.59
O=S(=O)(CC1CCC2C(CC1)C2(F)F)C1=NNC=N1	REAL250005015411	0	34	0.0	-18.08	279.37	4.39	-13.69
O=S(=O)(CC1=CSC(C(F)(F)F)=C1)C1=NNC=N1	REAL250005015412	0	24	0.0	-17.65	258.31	2.88	-14.77
O=S(=O)(CC1=C(C(F)(F)F)SC=C1)C1=NNC=N1	REAL250005015413	0	24	0.0	-17.17	247.52	2.95	-14.22
O=S(=O)(CC1=CC(C2CC2)=NO1)C1=NNC=N1	REAL250005015414	0	27	0.0	-19.84	254.79	2.41	-17.43
O=S(=O)(CC1=C(C2CCC2)OC=N1)C1=NNC=N1	REAL250005015415	0	30	0.0	-19.82	271.25	0.19	-19.63
O=S(=O)(CC1=CC=C(Cl)C(F)=C1F)C1=NNC=N1	REAL250005015416	0	24	0.0	-19.58	255.49	3.35	-16.23
O=S(=O)(CC1=CSC=C1C(F)(F)F)C1=NNC=N1	REAL250005015417	0	24	0.0	-17.10	245.65	2.83	-14.27
COCC1=NC=CC(CS(=O)(=O)C2=NNC=N2)=N1	REAL250005015418	0	29	0.0	-21.74	273.01	-0.36	-22.10
COC1=CC=C(CS(=O)(=O)C2=NNC=N2)C(C)=N1	REAL250005015419	0	30	0.0	-18.81	270.61	0.01	-18.80
CN(C)C(=O)NCC(O)CS(=O)(=O)C1=NNC=N1	REAL250005015420	0	33	0.0	-23.58	291.14	-3.27	-26.85
CC(C)C1=NNC(CS(=O)(=O)C2=NNC=N2)=C1	REAL250005015421	0	30	0.0	-19.11	269.67	0.95	-18.16
CC(C)(C)[C@@H]1C[C@H](S(=O)(=O)C2=NNC=N2)C(=O)N1	REAL250005015422	0	34	0.0	-19.56	277.96	0.21	-19.35
O=S(=O)(CC1=CC(C2=CC=CC=C2)=NN1)C1=NNC=N1	REAL250005015423	0	31	0.0	-20.95	287.10	2.64	-18.31
N#CCC1=CC=CC(CS(=O)(=O)C2=NNC=N2)=N1	REAL250005015424	0	27	0.0	-29.14	264.58	2.02	-27.12
CC(=O)NCC1=CC=C(CS(=O)(=O)C2=NNC=N2)C=C1	REAL250005015425	0	34	0.0	-22.66	309.90	1.77	-20.89
O=[N+]([O-])C1=CC=CC(CS(=O)(=O)C2=NNC=N2)=C1F	REAL250005015426	0	26	0.0	-25.63	259.34	3.41	-22.22
CC(F)(F)C1=CC=CC(CS(=O)(=O)C2=NNC=N2)=N1	REAL250005015427	0	29	0.0	-19.50	276.83	2.68	-16.82
O=S(=O)(CC1=NOC(C2CCCC2)=C1)C1=NNC=N1	REAL250005015428	0	33	0.0	-19.19	290.13	3.53	-15.66
COC1=CC=C(CS(=O)(=O)C2=NNC=N2)C=N1	REAL250005015429	0	27	0.0	-19.34	254.74	-0.55	-19.89
COC1=CC=CN=C1CS(=O)(=O)C1=NNC=N1	REAL250005015430	0	27	0.0	-20.55	251.05	0.30	-20.25
CC1=CN=C(F)C(CS(=O)(=O)C2=NNC=N2)=C1	REAL250005015431	0	26	0.0	-20.61	249.34	1.54	-19.07
CC1=CC(F)=NC=C1CS(=O)(=O)C1=NNC=N1	REAL250005015432	0	26	0.0	-19.03	243.78	1.56	-17.47
COC1=CC=C(CS(=O)(=O)C2=NNC=N2)C(F)=C1	REAL250005015433	0	28	0.0	-18.49	262.51	2.08	-16.41
CN1C=C(CS(=O)(=O)C2=NNC=N2)C(C(F)(F)F)=N1	REAL250005015434	0	27	0.0	-22.10	262.90	1.58	-20.52
O=S(=O)(CC1=CC(C(F)(F)F)=CS1)C1=NNC=N1	REAL250005015435	0	24	0.0	-16.90	257.81	2.86	-14.04
CN1C=C([N+](=O)[O-])C(CS(=O)(=O)C2=NNC=N2)=N1	REAL250005015436	0	26	0.0	-23.93	256.20	1.07	-22.86
COC1=NC(C)=CC(CS(=O)(=O)C2=NNC=N2)=N1	REAL250005015437	0	29	0.0	-22.41	271.37	-2.01	-24.42
CCC1=NC(S(=O)(=O)CC(=O)NC(C)C(C)C)=NN1	REAL250005015438	0	39	0.0	-21.95	328.49	0.90	-21.05
CCC1=NC(S(=O)(=O)CC2=CC=CC=C2Cl)=NN1	REAL250005015439	0	30	0.0	-15.58	284.72	3.68	-11.90
CCC1=NC(S(=O)(=O)CC2=CC=CC(OC)=C2)=NN1	REAL250005015440	0	34	0.0	-17.21	300.64	2.52	-14.69
CCC1=NC(S(=O)(=O)CC2=CC=CC(Cl)=C2)=NN1	REAL250005015441	0	30	0.0	-15.80	287.87	3.75	-12.05
CCC1=NC(S(=O)(=O)CC(=O)N2CCOCC2)=NN1	REAL250005015442	0	35	0.0	-22.81	299.54	-0.62	-23.43
CCC1=NC(S(=O)(=O)C(C)C(=O)NCC(C)C)=NN1	REAL250005015443	0	39	0.0	-20.49	329.75	0.73	-19.76
CCC1=NC(S(=O)(=O)C(C)C(=O)NC(C)(C)C)=NN1	REAL250005015444	0	39	0.0	-20.55	323.20	0.51	-20.04
CCC1=NC(S(=O)(=O)CC2=CC(C)=NO2)=NN1	REAL250005015445	0	29	0.0	-18.20	268.07	1.39	-16.81
CCC1=NC(S(=O)(=O)CC2=NOC(C(C)(C)C)=N2)=NN1	REAL250005015446	0	37	0.0	-17.43	324.58	0.53	-16.90
CCC1=NC(S(=O)(=O)CC2=CC=C(Cl)C=C2)=NN1	REAL250005015447	0	30	0.0	-15.35	287.87	3.76	-11.59
CCC1=NC(S(=O)(=O)CC2=CC(C)=CC=C2C)=NN1	REAL250005015448	0	36	0.0	-15.11	308.35	4.48	-10.63
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CO2)=NN1	REAL250005015449	0	34	0.0	-22.14	311.31	-0.27	-22.41
CCOC1=CC=CC=C1CS(=O)(=O)C1=NNC(CC)=N1	REAL250005015450	0	37	0.0	-16.91	321.16	3.53	-13.38
CCC1=NC(S(=O)(=O)CC2=CC=CC=C2C)=NN1	REAL250005015451	0	33	0.0	-15.12	285.48	3.87	-11.25
CCC1=NC(S(=O)(=O)CC2=CC=CC(F)=C2)=NN1	REAL250005015452	0	30	0.0	-16.31	277.54	3.30	-13.01
CCC1=NC(S(=O)(=O)CC(=O)N2CCCCC2)=NN1	REAL250005015453	0	37	0.0	-22.06	308.37	1.81	-20.25
CCCCNC(=O)CS(=O)(=O)C1=NNC(CC)=N1	REAL250005015454	0	36	0.0	-21.88	313.65	0.13	-21.75
CCC1=NC(S(=O)(=O)CC(=O)NCC(C)C)=NN1	REAL250005015455	0	36	0.0	-21.69	311.03	0.11	-21.58
CCCNC(=O)CS(=O)(=O)C1=NNC(CC)=N1	REAL250005015456	0	33	0.0	-21.99	292.15	-0.64	-22.63
CCC1=NC(S(=O)(=O)CC(=O)NC2=NOC(C)=C2)=NN1	REAL250005015457	0	33	0.0	-22.13	300.81	0.68	-21.45
CCC1=NC(S(=O)(=O)CC2=CC=CC=C2OC)=NN1	REAL250005015458	0	34	0.0	-17.05	299.31	2.61	-14.44
CCC1=NC(S(=O)(=O)CC2=CC=CC(C)=C2)=NN1	REAL250005015459	0	33	0.0	-15.59	292.54	3.90	-11.69
CCC1=NC(S(=O)(=O)CC(=O)N2CCCC2)=NN1	REAL250005015460	0	34	0.0	-22.39	294.74	1.02	-21.37
CCC1=NC(S(=O)(=O)CC2=C(C)ON=C2C)=NN1	REAL250005015461	0	32	0.0	-17.20	288.86	2.08	-15.12
CCC1=NC(S(=O)(=O)C(C)C(=O)N(CC)CC)=NN1	REAL250005015462	0	39	0.0	-20.83	321.60	2.09	-18.74
CCC1=NC(S(=O)(=O)CC2=CC=CC(C(N)=O)=C2)=NN1	REAL250005015463	0	34	0.0	-23.38	305.68	0.00	-23.38
CCC1=NC(S(=O)(=O)C(C)C(=O)N(C)C)=NN1	REAL250005015464	0	33	0.0	-21.20	282.00	0.53	-20.67
CCC1=NC(S(=O)(=O)CC2=NOC(C)=N2)=NN1	REAL250005015465	0	28	0.0	-18.89	262.71	-1.33	-20.22
CCNC(=O)CCS(=O)(=O)C1=NNC(CC)=N1	REAL250005015466	0	33	0.0	-18.00	292.36	-0.60	-18.60
CCC1=NC(S(=O)(=O)CCCC(=O)N(C)C)=NN1	REAL250005015467	0	36	0.0	-23.31	310.14	1.28	-22.03
CCC1=NC(S(=O)(=O)CCOC2=CC=CC=C2)=NN1	REAL250005015468	0	34	0.0	-14.84	301.14	2.81	-12.03
CCC1=NC(S(=O)(=O)CC2=NC(C3CC3)=NO2)=NN1	REAL250005015469	0	32	0.0	-17.86	294.10	0.33	-17.53
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2CC2)=NN1	REAL250005015470	0	34	0.0	-20.50	298.83	0.39	-20.11
CCC1=NC(S(=O)(=O)CC2=NOC(C)=C2)=NN1	REAL250005015471	0	29	0.0	-18.21	268.06	1.34	-16.87
CCC1=NC(S(=O)(=O)CC2=NC(C)=NO2)=NN1	REAL250005015472	0	28	0.0	-17.69	262.71	-1.18	-18.87
CCCCCNC(=O)CS(=O)(=O)C1=NNC(CC)=N1	REAL250005015473	0	39	0.0	-21.89	335.15	0.91	-20.98
CCCCC1=NOC(CS(=O)(=O)C2=NNC(CC)=N2)=N1	REAL250005015474	0	37	0.0	-17.27	327.19	0.98	-16.29
CCC1=NC(S(=O)(=O)CC2=NC(C(C)C)=NO2)=NN1	REAL250005015475	0	34	0.0	-17.31	305.01	-0.12	-17.43
CCC1=NC(S(=O)(=O)CC(=O)NCCCOC)=NN1	REAL250005015476	0	37	0.0	-22.47	325.83	-1.58	-24.05
CCC1=NC(S(=O)(=O)CC(=O)NC(C)CC)=NN1	REAL250005015477	0	36	0.0	-22.02	311.91	0.36	-21.66
CCC1=NC(S(=O)(=O)CC(=O)N(CC)CC)=NN1	REAL250005015478	0	36	0.0	-21.95	308.72	1.66	-20.29
CCC1=NOC(CS(=O)(=O)C2=NNC(CC)=N2)=N1	REAL250005015479	0	31	0.0	-17.40	284.19	-0.58	-17.98
CCCC1=NOC(CS(=O)(=O)C2=NNC(CC)=N2)=N1	REAL250005015480	0	34	0.0	-17.12	305.69	0.19	-16.93
CCC1=NC(S(=O)(=O)CC(=O)NCC2CC2)=NN1	REAL250005015481	0	34	0.0	-21.77	302.19	0.17	-21.60
CCC1=NC(S(=O)(=O)C(C)C2=NC(C)=NO2)=NN1	REAL250005015482	0	31	0.0	-15.73	281.48	-0.71	-16.44
CCC1=NC(S(=O)(=O)CC(=O)NC2CC2)=NN1	REAL250005015483	0	31	0.0	-22.04	280.77	-0.53	-22.57
CCC1=NC(S(=O)(=O)CC2=CC(C)=CC=C2OC)=NN1	REAL250005015484	0	37	0.0	-16.88	320.71	3.27	-13.61
CCC1=NC(S(=O)(=O)CC2=CC=C(Cl)S2)=NN1	REAL250005015485	0	27	0.0	-14.92	278.40	2.94	-11.98
CCCNC(=O)C(C)S(=O)(=O)C1=NNC(CC)=N1	REAL250005015486	0	36	0.0	-20.80	310.87	-0.02	-20.82
CCC1=NC(S(=O)(=O)CC(=O)NC2CCCC2)=NN1	REAL250005015487	0	37	0.0	-21.92	314.67	0.78	-21.14
CCC1=NC(S(=O)(=O)CC2=CC=C(C(N)=O)C=C2)=NN1	REAL250005015488	0	34	0.0	-21.67	305.68	0.01	-21.66
CCC1=NC(S(=O)(=O)C(C)C(=O)NC(C)CC)=NN1	REAL250005015489	0	39	0.0	-20.92	330.63	0.99	-19.93
CCCCNC(=O)C(C)S(=O)(=O)C1=NNC(CC)=N1	REAL250005015490	0	39	0.0	-20.65	332.37	0.75	-19.90
CCC1=NC(S(=O)(=O)CCCC2=CC=CC=C2)=NN1	REAL250005015491	0	36	0.0	-16.12	314.16	4.79	-11.33
CCC1=NC(S(=O)(=O)CC2=CC=C(C#N)C=C2)=NN1	REAL250005015492	0	31	0.0	-18.14	291.99	3.62	-14.52
CCC1=NC(S(=O)(=O)CC2=CC=C(C)C=C2)=NN1	REAL250005015493	0	33	0.0	-15.56	292.54	3.91	-11.65
CCC1=NC(S(=O)(=O)CC(=O)NC(C)C)=NN1	REAL250005015494	0	33	0.0	-22.20	291.28	-0.60	-22.80
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC=C2)=NN1	REAL250005015495	0	34	0.0	-23.42	304.74	1.50	-21.92
CCC1=NC(S(=O)(=O)CC2=CC=CC=C2F)=NN1	REAL250005015496	0	30	0.0	-16.87	276.44	3.26	-13.61
CCC1=NC(S(=O)(=O)CC2=CC=C(OC)C(F)=C2)=NN1	REAL250005015497	0	34	0.0	-18.75	306.87	2.60	-16.15
CCC1=NC(S(=O)(=O)CC2=CC=C(F)C=C2)=NN1	REAL250005015498	0	30	0.0	-15.85	277.55	3.29	-12.56
CCC1=NC(S(=O)(=O)C(C)C2=CC=C(F)C=C2)=NN1	REAL250005015499	0	33	0.0	-14.47	290.85	3.71	-10.76
CCC1=NC(S(=O)(=O)CC2=CC(F)=CC=C2OC)=NN1	REAL250005015500	0	34	0.0	-16.81	305.71	2.66	-14.15
CCCCN1N=NN=C1CS(=O)(=O)C1=NNC(CC)=N1	REAL250005015501	0	37	0.0	-19.49	324.91	1.65	-17.84
CCCN1N=NN=C1CS(=O)(=O)C1=NNC(CC)=N1	REAL250005015502	0	34	0.0	-19.55	303.41	0.87	-18.68
CCC1=NC(S(=O)(=O)CC2=CSC(CC)=N2)=NN1	REAL250005015503	0	32	0.0	-17.29	299.20	1.67	-15.62
CCC1=NC(S(=O)(=O)CC2=NC(C(C)(C)C)=NO2)=NN1	REAL250005015504	0	37	0.0	-17.42	324.43	0.43	-16.99
CCC1=NC(S(=O)(=O)C(C)C2=NC(C(C)C)=NO2)=NN1	REAL250005015505	0	37	0.0	-15.16	323.26	0.30	-14.86
CCC1=NC(S(=O)(=O)CC2=NN=NN2C2CC2)=NN1	REAL250005015506	0	32	0.0	-21.41	292.15	0.82	-20.59
CCC1=NC(S(=O)(=O)CCCC(=O)NC)=NN1	REAL250005015507	0	33	0.0	-23.31	292.37	-0.68	-23.99
CCC1=NC(S(=O)(=O)C(C)C2=CC=CC=C2F)=NN1	REAL250005015508	0	33	0.0	-14.13	290.49	3.81	-10.32
CCCCOCCS(=O)(=O)C1=NNC(CC)=N1	REAL250005015509	0	36	0.0	-13.49	309.78	1.82	-11.67
CCC1=NC(S(=O)(=O)CC2=CSC(C)=N2)=NN1	REAL250005015510	0	29	0.0	-17.56	277.72	0.92	-16.64
CCC1=NC(S(=O)(=O)CC(=O)N2CCC2)=NN1	REAL250005015511	0	31	0.0	-23.64	278.38	0.22	-23.42
CCC1=NC(S(=O)(=O)CCOCCC(C)C)=NN1	REAL250005015512	0	39	0.0	-13.37	327.35	2.33	-11.04
CCC1=NC(S(=O)(=O)CC(=O)N(C)C2CC2)=NN1	REAL250005015513	0	34	0.0	-22.82	295.04	1.19	-21.63
CCC1=NC(S(=O)(=O)CCCN2CCCC2=O)=NN1	REAL250005015514	0	37	0.0	-22.17	318.82	2.07	-20.10
CCC1=NC(S(=O)(=O)CC2=NOC(C3CC3)=N2)=NN1	REAL250005015515	0	32	0.0	-17.99	294.33	0.22	-17.77
CCCC1=NC(CS(=O)(=O)C2=NNC(CC)=N2)=NO1	REAL250005015516	0	34	0.0	-17.82	305.69	0.20	-17.62
CCC1=NC(S(=O)(=O)CC2=NOC(C(C)C)=N2)=NN1	REAL250005015517	0	34	0.0	-17.57	305.01	0.03	-17.54
CCCCC1=NC(CS(=O)(=O)C2=NNC(CC)=N2)=NO1	REAL250005015518	0	37	0.0	-17.98	327.19	1.00	-16.98
CCC1=NC(S(=O)(=O)CC2=NOC(CC)=N2)=NN1	REAL250005015519	0	31	0.0	-18.28	284.19	-0.56	-18.84
CCCC1=CC=C(CS(=O)(=O)C2=NNC(CC)=N2)C=C1	REAL250005015520	0	39	0.0	-15.23	335.52	5.46	-9.77
CCC1=NC(S(=O)(=O)CCN2C=CC=N2)=NN1	REAL250005015521	0	30	0.0	-16.97	273.66	1.20	-15.77
CCC1=NC(S(=O)(=O)CCC2=CC=CC=C2Cl)=NN1	REAL250005015522	0	33	0.0	-14.99	305.24	4.38	-10.61
CCC1=NC(S(=O)(=O)CC(=O)N(C)CC)=NN1	REAL250005015523	0	33	0.0	-22.73	288.75	0.75	-21.98
CCC1=NC(S(=O)(=O)C(C)C2=NN=C(C)O2)=NN1	REAL250005015524	0	31	0.0	-19.55	281.87	-3.33	-22.88
CCC1=NC(S(=O)(=O)CC2=CC=CC=N2)=NN1	REAL250005015525	0	29	0.0	-18.00	266.12	1.39	-16.61
CCC1=NC(S(=O)(=O)CC2=CC=C(Cl)N=C2)=NN1	REAL250005015526	0	29	0.0	-17.76	282.85	1.87	-15.89
CCC1=NC(S(=O)(=O)CC2=NN=NN2C)=NN1	REAL250005015527	0	28	0.0	-21.97	260.40	-0.82	-22.79
CCC1=NC(S(=O)(=O)CCCCC(N)=O)=NN1	REAL250005015528	0	33	0.0	-20.28	291.94	-1.39	-21.67
CCC1=NC(S(=O)(=O)CC2=C(C)C=C(C)C=C2C)=NN1	REAL250005015529	0	39	0.0	-14.76	322.68	5.10	-9.66
CCC1=NC(S(=O)(=O)CCCS(N)(=O)=O)=NN1	REAL250005015530	0	31	0.0	-26.76	289.63	-4.02	-30.78
CCC1=NC(S(=O)(=O)CCCS(C)(=O)=O)=NN1	REAL250005015531	0	32	0.0	-27.39	296.39	-1.46	-28.85
CCC1=NC(S(=O)(=O)CC2=C(Cl)SN=N2)=NN1	REAL250005015532	0	25	0.0	-15.62	266.02	0.17	-15.45
CCC1=NC(S(=O)(=O)CCS(C)(=O)=O)=NN1	REAL250005015533	0	29	0.0	-23.17	274.90	-2.24	-25.41
CCC1=NC(S(=O)(=O)CC2=CC(C)=CC(C)=C2)=NN1	REAL250005015534	0	36	0.0	-15.57	313.95	4.56	-11.01
CCC1=NC(S(=O)(=O)CCCCC(=O)N(C)C)=NN1	REAL250005015535	0	39	0.0	-20.36	331.64	2.06	-18.30
CCC1=NC(S(=O)(=O)CC2=NC=C(Cl)N2C)=NN1	REAL250005015536	0	30	0.0	-17.35	286.70	1.96	-15.39
CCC1=NC(S(=O)(=O)CC2=CC=CC(C#N)=C2)=NN1	REAL250005015537	0	31	0.0	-18.92	291.99	3.61	-15.31
CCC1=NC(S(=O)(=O)CC(=O)NCC2CCC2)=NN1	REAL250005015538	0	37	0.0	-21.73	318.89	0.65	-21.08
CCCCNC(=O)CCS(=O)(=O)C1=NNC(CC)=N1	REAL250005015539	0	39	0.0	-17.80	335.35	0.93	-16.87
CCC1=NC(S(=O)(=O)C(C)C2=NN=C(CC)O2)=NN1	REAL250005015540	0	34	0.0	-18.65	302.64	-2.57	-21.22
CCC1=NC(S(=O)(=O)CC2=NOC3=C2CCCC3)=NN1	REAL250005015541	0	36	0.0	-17.80	309.49	3.23	-14.57
CCC1=NC(S(=O)(=O)C(CC)C2=CC=CC=C2)=NN1	REAL250005015542	0	36	0.0	-14.25	304.78	4.37	-9.88
CCC1=NC(S(=O)(=O)CC2=CC=C3CCCC3=C2)=NN1	REAL250005015543	0	37	0.0	-15.82	316.65	5.15	-10.67
CCC1=NC(S(=O)(=O)CC2=NN(C(C)C)C=C2)=NN1	REAL250005015544	0	36	0.0	-19.31	314.22	2.29	-17.02
CCC1=NC(S(=O)(=O)CC2=C(C)C=CC=C2C)=NN1	REAL250005015545	0	36	0.0	-14.73	301.28	4.45	-10.28
CCC1=NC(S(=O)(=O)C(C)C2=CC=CC=C2)=NN1	REAL250005015546	0	33	0.0	-14.69	285.16	3.67	-11.02
CCC1=NC(S(=O)(=O)CCC2=CC=C(C)C=C2)=NN1	REAL250005015547	0	36	0.0	-14.71	314.08	4.69	-10.02
CCC1=NC(S(=O)(=O)C(CC)C2=CC=C(F)C=C2)=NN1	REAL250005015548	0	36	0.0	-14.25	311.66	4.40	-9.85
CCC1=NOC(C(C)S(=O)(=O)C2=NNC(CC)=N2)=N1	REAL250005015549	0	34	0.0	-15.50	302.97	-0.10	-15.60
CCC1=NC(S(=O)(=O)CCN2CCCC2=O)=NN1	REAL250005015550	0	34	0.0	-20.58	297.32	1.28	-19.30
CCC1=NC(S(=O)(=O)CC2=CC=C(F)C(F)=C2)=NN1	REAL250005015551	0	30	0.0	-17.36	283.84	3.35	-14.01
CCC1=NC(S(=O)(=O)CC2=CC=CC(Cl)=N2)=NN1	REAL250005015552	0	29	0.0	-18.96	283.00	1.81	-17.15
CCC1=NC(S(=O)(=O)CC2=NN=C(C3CC3)O2)=NN1	REAL250005015553	0	32	0.0	-19.46	294.64	-2.21	-21.67
CCC1=CN=C(CS(=O)(=O)C2=NNC(CC)=N2)O1	REAL250005015554	0	32	0.0	-18.18	290.03	-0.46	-18.64
CCC1=NC(S(=O)(=O)CCC(C)(C)C#N)=NN1	REAL250005015555	0	33	0.0	-19.67	287.28	2.30	-17.37
CCC1=NC(S(=O)(=O)CCC(C)(C)CC)=NN1	REAL250005015556	0	38	0.0	-13.74	302.21	3.19	-10.55
CCC1=NC(S(=O)(=O)CC2=C(C)N=C(C)S2)=NN1	REAL250005015557	0	32	0.0	-16.35	296.61	1.67	-14.68
CCC1=NC(S(=O)(=O)C(C)C2=CC=CC(C)=C2)=NN1	REAL250005015558	0	36	0.0	-14.35	305.85	4.31	-10.04
CCC1=NC(S(=O)(=O)CC2=NC=C(C)O2)=NN1	REAL250005015559	0	29	0.0	-18.72	268.55	-1.25	-19.97
CCC1=NC(S(=O)(=O)CC2=NC=NN2C)=NN1	REAL250005015560	0	29	0.0	-18.88	266.03	1.47	-17.41
CCC1=NC(S(=O)(=O)CCCC2CCCC2)=NN1	REAL250005015561	0	39	0.0	-14.20	318.46	4.38	-9.82
CCC1=NC(S(=O)(=O)CCC2CCCCC2)=NN1	REAL250005015562	0	39	0.0	-13.94	313.45	4.18	-9.76
CCC1=NC(S(=O)(=O)CCCC(C)(C)C#N)=NN1	REAL250005015563	0	36	0.0	-18.69	308.75	3.07	-15.62
CCC1=NC(S(=O)(=O)CCOCCOC)=NN1	REAL250005015564	0	34	0.0	-15.61	300.41	-0.50	-16.11
CCC1=NC(S(=O)(=O)C(C)C(=O)N(C)C(C)C)=NN1	REAL250005015565	0	39	0.0	-21.43	320.38	1.72	-19.71
CCC1=NC(S(=O)(=O)CCCCCCO)=NN1	REAL250005015566	0	36	0.0	-16.48	308.67	0.00	-16.48
CCC1=NC(S(=O)(=O)CC2CCCCO2)=NN1	REAL250005015567	0	34	0.0	-16.20	285.34	1.54	-14.66
CCC1=NC(S(=O)(=O)CC2=CN=CN2C)=NN1	REAL250005015568	0	30	0.0	-19.32	271.08	2.34	-16.98
CCC1=NC(S(=O)(=O)CCC2=C(C)N=CS2)=NN1	REAL250005015569	0	32	0.0	-15.92	296.65	1.75	-14.17
CCC1=NC(S(=O)(=O)CC2=CC=C(F)C=C2F)=NN1	REAL250005015570	0	30	0.0	-16.10	282.86	3.33	-12.77
CCC1=NC(S(=O)(=O)CC2CC3=CC=CC=C3O2)=NN1	REAL250005015571	0	35	0.0	-19.46	305.99	3.29	-16.17
CCC1=NC(S(=O)(=O)CC2=NC(C)=CS2)=NN1	REAL250005015572	0	29	0.0	-16.80	277.72	0.93	-15.87
CCC1=NC(S(=O)(=O)CC2=NC(C)=C(C)S2)=NN1	REAL250005015573	0	32	0.0	-17.18	296.62	1.64	-15.54
CCC1=NC(S(=O)(=O)CC2=CC=CC([N+](=O)[O-])=C2)=NN1	REAL250005015574	0	32	0.0	-20.66	299.35	3.91	-16.75
CCC1=NC(S(=O)(=O)CCCCS(C)(=O)=O)=NN1	REAL250005015575	0	35	0.0	-24.99	317.89	-0.68	-25.67
CCC1=NC(S(=O)(=O)CC(C)CS(C)(=O)=O)=NN1	REAL250005015576	0	35	0.0	-26.40	306.54	-0.60	-27.00
CCC1=NC(S(=O)(=O)CC2=NC=C(C(C)C)O2)=NN1	REAL250005015577	0	35	0.0	-18.09	310.83	0.18	-17.91
CCC1=NC(S(=O)(=O)CC2=C(C)ON=C2CC)=NN1	REAL250005015578	0	35	0.0	-16.48	302.54	2.91	-13.57
CCC1=NC(S(=O)(=O)CC2=NN(C)C(C)=C2)=NN1	REAL250005015579	0	33	0.0	-19.95	293.50	1.37	-18.58
CCC1=NC(S(=O)(=O)CC2=CC3=CC=CC=C3O2)=NN1	REAL250005015580	0	33	0.0	-18.75	299.02	3.73	-15.02
CCC1=NC(S(=O)(=O)CCN2C=CC=N2)=NN1	REAL250005015581	0	30	0.0	-16.97	273.66	1.20	-15.77
CCC1=NC(S(=O)(=O)CC2=CN=C(Cl)S2)=NN1	REAL250005015582	0	26	0.0	-15.78	272.98	0.96	-14.82
CCC1=NC(S(=O)(=O)CCC2CC(C)CC(C)C2)=NN1	REAL250005015583	0	45	0.0	-13.89	348.08	5.14	-8.75
CCC1=NC(S(=O)(=O)C(C)C2=CC=CC(Cl)=C2)=NN1	REAL250005015584	0	33	0.0	-13.61	301.17	4.16	-9.45
CCC1=NC(S(=O)(=O)CC2CCOCC2)=NN1	REAL250005015585	0	34	0.0	-14.91	281.29	1.23	-13.68
CCC1=NC(S(=O)(=O)CC2=CC=NC(C#N)=C2)=NN1	REAL250005015586	0	30	0.0	-20.23	286.99	1.76	-18.47
CCCCCCCS(=O)(=O)C1=NNC(CC)=N1	REAL250005015587	0	38	0.0	-14.17	318.75	4.11	-10.06
CCC1=NC(S(=O)(=O)CC2=C(C)SC(C)=N2)=NN1	REAL250005015588	0	32	0.0	-17.26	296.61	1.62	-15.64
CCC1=NC(S(=O)(=O)CC2=NOC(COC)=N2)=NN1	REAL250005015589	0	32	0.0	-19.80	296.37	-2.28	-22.08
CCC1=NC(S(=O)(=O)CC2=NN=C(C)S2)=NN1	REAL250005015590	0	28	0.0	-19.23	272.33	0.00	-19.23
CCC1=NC(S(=O)(=O)CC2=CC=C(CF)C=C2)=NN1	REAL250005015591	0	33	0.0	-17.30	299.12	4.06	-13.24
CCC1=NC(S(=O)(=O)CC2=NN=C(C)N2C)=NN1	REAL250005015592	0	32	0.0	-23.47	286.53	2.06	-21.41
CCC1=NC(S(=O)(=O)CC2=NN=CN2C)=NN1	REAL250005015593	0	29	0.0	-22.81	265.59	2.30	-20.51
CCC1=NC(S(=O)(=O)CC2=CC=NN2C)=NN1	REAL250005015594	0	30	0.0	-17.62	271.04	0.86	-16.76
CCCN1C(C)=NN=C1CS(=O)(=O)C1=NNC(CC)=N1	REAL250005015595	0	38	0.0	-22.11	329.33	3.69	-18.42
CCC1=NC(S(=O)(=O)CC2=NC=NN2CC(C)C)=NN1	REAL250005015596	0	38	0.0	-17.95	328.53	3.83	-14.12
CCC1=NC(S(=O)(=O)CC2=NC=C(C)S2)=NN1	REAL250005015597	0	29	0.0	-16.76	277.84	1.14	-15.62
CCC1=NC(S(=O)(=O)CC2=C(C(C)C)OC=N2)=NN1	REAL250005015598	0	35	0.0	-18.22	308.24	-0.05	-18.27
CCC1=NC(S(=O)(=O)CC2=CC=C(CO)C=C2)=NN1	REAL250005015599	0	34	0.0	-17.48	303.95	0.58	-16.90
CCC1=NC(S(=O)(=O)C(C)C2=NC=C(C)O2)=NN1	REAL250005015600	0	32	0.0	-17.85	287.13	-0.69	-18.54
CCC1=NC(S(=O)(=O)CC2=NC=CC(C)=N2)=NN1	REAL250005015601	0	31	0.0	-19.41	282.79	1.03	-18.38
CCC1=NC(S(=O)(=O)CCC2=C(C)ON=C2C)=NN1	REAL250005015602	0	35	0.0	-17.33	309.95	2.78	-14.55
CCC1=NC(S(=O)(=O)CC2=CSC(C3CC3)=N2)=NN1	REAL250005015603	0	33	0.0	-17.59	307.61	2.43	-15.16
CCC1=NC(S(=O)(=O)CC2=CN(C)N=N2)=NN1	REAL250005015604	0	29	0.0	-23.07	267.95	-0.30	-23.37
CCC1=NC(S(=O)(=O)CC2=NC=C(C3CC3)O2)=NN1	REAL250005015605	0	33	0.0	-18.27	300.16	0.36	-17.91
CCC1=NC(S(=O)(=O)CCCNC(C)=O)=NN1	REAL250005015606	0	33	0.0	-20.35	293.57	-0.67	-21.02
CCC1=NC(S(=O)(=O)CC2=NN=C(CC)S2)=NN1	REAL250005015607	0	31	0.0	-18.68	293.81	0.75	-17.93
CCC1=NC(S(=O)(=O)CC2=NN=NN2CC2CC2)=NN1	REAL250005015608	0	35	0.0	-20.70	307.48	1.75	-18.95
CCC1=NC(S(=O)(=O)CC2=NC(C3CC3)=CS2)=NN1	REAL250005015609	0	33	0.0	-16.92	306.77	2.41	-14.51
CCC1=NC(S(=O)(=O)CC2=CC=C(C)C(C)=C2)=NN1	REAL250005015610	0	36	0.0	-15.71	309.55	4.44	-11.27
CCC1=NC(S(=O)(=O)C(C)C2=NN=NN2C2CC2)=NN1	REAL250005015611	0	35	0.0	-22.41	310.13	1.15	-21.26
CCC1=NC(S(=O)(=O)CC2=CC(C)=CC=N2)=NN1	REAL250005015612	0	32	0.0	-17.68	287.63	2.05	-15.63
CCC1=NC(S(=O)(=O)C(C)C2=NN=NN2C)=NN1	REAL250005015613	0	31	0.0	-22.95	278.70	-0.46	-23.41
CCC1=NC(S(=O)(=O)CCC2CCCO2)=NN1	REAL250005015614	0	34	0.0	-15.02	289.24	1.34	-13.68
CCC1=NC(S(=O)(=O)CC2=CC=C(F)C=C2C)=NN1	REAL250005015615	0	33	0.0	-15.20	293.30	3.88	-11.32
CCC1=NC(S(=O)(=O)CC2=NC=C(Cl)S2)=NN1	REAL250005015616	0	26	0.0	-15.10	272.99	0.96	-14.14
CCC1=NC(S(=O)(=O)CC2=CC=NN2C)=NN1	REAL250005015617	0	30	0.0	-17.62	271.04	0.86	-16.76
CCC1=NC(S(=O)(=O)CC2=CC=C(Cl)C=C2C)=NN1	REAL250005015618	0	33	0.0	-14.75	303.69	4.32	-10.43
CCC1=NC(S(=O)(=O)CC2=CC=CC(OC)=N2)=NN1	REAL250005015619	0	33	0.0	-18.42	298.34	-0.13	-18.55
CCC1=NN=C(CS(=O)(=O)C2=NNC(CC)=N2)N1	REAL250005015620	0	32	0.0	-22.07	288.60	1.10	-20.97
CCC1=NC(S(=O)(=O)CC2=NC=NN2CCF)=NN1	REAL250005015621	0	32	0.0	-18.54	295.48	2.42	-16.12
CCC1=NC(S(=O)(=O)CCCC(C)(C)C)=NN1	REAL250005015622	0	38	0.0	-14.07	309.49	3.46	-10.61
CCC1=NC(S(=O)(=O)CC2=CC=C(OC)N=N2)=NN1	REAL250005015623	0	32	0.0	-20.06	293.32	-1.46	-21.52
CCC1=NC(S(=O)(=O)CC2=NC=NN2C(C)(C)C)=NN1	REAL250005015624	0	38	0.0	-18.28	312.62	3.32	-14.96
CCC1=NC(S(=O)(=O)CC2=NN=C3CCCCN23)=NN1	REAL250005015625	0	36	0.0	-22.68	308.17	3.20	-19.48
CCC1=NC(S(=O)(=O)CC2=NC=NN2C(C)C)=NN1	REAL250005015626	0	35	0.0	-18.43	308.89	2.99	-15.44
CCC1=NC(S(=O)(=O)CC2=CC=C(C)C=C2Cl)=NN1	REAL250005015627	0	33	0.0	-15.32	306.03	4.35	-10.97
CCC1=NC(S(=O)(=O)C2CCC3=CC=CC=C32)=NN1	REAL250005015628	0	34	0.0	-15.61	292.01	4.30	-11.31
CCC1=NC(S(=O)(=O)CC2=CC=C(F)C=N2)=NN1	REAL250005015629	0	29	0.0	-17.12	272.55	1.46	-15.66
CCC1=NC(S(=O)(=O)CCCCC(C)(C)C#N)=NN1	REAL250005015630	0	39	0.0	-20.84	330.28	3.85	-16.99
CCC1=NC(S(=O)(=O)CC2=CN(C)N=C2)=NN1	REAL250005015631	0	30	0.0	-19.51	273.95	1.00	-18.51
CCC1=NC(S(=O)(=O)CC2=C(C3CC3)ON=C2)=NN1	REAL250005015632	0	33	0.0	-16.88	298.53	2.99	-13.89
CCC1=NC(S(=O)(=O)CCC(F)(F)F)=NN1	REAL250005015634	0	26	0.0	-14.19	250.89	1.38	-12.81
C=CCNC(=O)CS(=O)(=O)C1=NNC(CC)=N1	REAL250005015635	0	31	0.0	-21.69	283.47	-0.85	-22.54
CCC1=NC(S(=O)(=O)CC2=CC=CC=C2C#N)=NN1	REAL250005015636	0	31	0.0	-19.70	289.50	3.47	-16.23
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC(C)=NO2)=NN1	REAL250005015637	0	33	0.0	-29.26	303.53	0.10	-29.16
CCCN1N=CN=C1CS(=O)(=O)C1=NNC(CC)=N1	REAL250005015638	0	35	0.0	-18.27	310.00	3.03	-15.24
CCCCCCCCS(=O)(=O)C1=NNC(CC)=N1	REAL250005015639	0	41	0.0	-14.15	340.25	4.89	-9.26
CCCCCCCCCS(=O)(=O)C1=NNC(CC)=N1	REAL250005015640	0	44	0.0	-14.10	361.75	5.67	-8.43
CCC1=NC(S(=O)(=O)CC2=CC=CN=C2)=NN1	REAL250005015641	0	29	0.0	-17.43	265.97	1.45	-15.98
CCC1=NC(S(=O)(=O)CC2=NC=NN2CC)=NN1	REAL250005015642	0	32	0.0	-18.77	288.50	2.29	-16.48
CCC1=NC(S(=O)(=O)CCC2=CC=C(OC)C=C2)=NN1	REAL250005015643	0	37	0.0	-16.24	322.17	3.31	-12.93
CCC1=NC(S(=O)(=O)CCCOC(C)C)=NN1	REAL250005015644	0	36	0.0	-15.59	308.56	1.77	-13.82
C=CCNC(=O)C(C)S(=O)(=O)C1=NNC(CC)=N1	REAL250005015645	0	34	0.0	-20.24	301.53	0.08	-20.16
CCC1=NC(S(=O)(=O)CC2=CC=NC(Cl)=C2)=NN1	REAL250005015646	0	29	0.0	-17.54	282.89	1.89	-15.65
CCC1=NC(S(=O)(=O)CC2=NN(C)N=N2)=NN1	REAL250005015647	0	28	0.0	-19.88	262.74	-1.08	-20.96
CCC1=NC(S(=O)(=O)CC[C@@H](O)C2=CC=CC=C2)=NN1	REAL250005015648	0	37	0.0	-16.57	321.46	1.65	-14.92
CCC1=NC(S(=O)(=O)CC2=CC=C(C)C=N2)=NN1	REAL250005015649	0	32	0.0	-17.89	287.58	2.04	-15.85
CCOC1=CC=C(CS(=O)(=O)C2=NNC(CC)=N2)N=C1	REAL250005015650	0	36	0.0	-17.95	317.58	1.58	-16.37
CCC1=NC(S(=O)(=O)CC2=CC=C(Cl)C=N2)=NN1	REAL250005015651	0	29	0.0	-16.81	282.89	1.88	-14.93
CCC1=NC(S(=O)(=O)CC2=CC(OC)=CC(C)=N2)=NN1	REAL250005015652	0	36	0.0	-18.47	317.50	1.31	-17.16
CCC1=NC(S(=O)(=O)CC2=C(C)N=NN2CC)=NN1	REAL250005015653	0	35	0.0	-19.23	307.21	1.04	-18.19
CCC1=NC(S(=O)(=O)CC2=NN=C(C3CC3)S2)=NN1	REAL250005015654	0	32	0.0	-18.86	303.64	1.61	-17.25
CCC1=NC(S(=O)(=O)CC2=C(Cl)C=CS2)=NN1	REAL250005015655	0	27	0.0	-14.55	276.65	2.77	-11.78
CCC1=NC(S(=O)(=O)CC2=NC=CC(OC)=N2)=NN1	REAL250005015656	0	32	0.0	-18.24	293.44	-1.12	-19.36
CCC1=NC(S(=O)(=O)CC2=CC=CC=C2[N+](=O)[O-])=NN1	REAL250005015657	0	32	0.0	-20.28	291.84	4.40	-15.88
CCC1=NC(S(=O)(=O)CCC2=CC=C(Cl)C=C2)=NN1	REAL250005015658	0	33	0.0	-15.15	309.40	4.53	-10.62
CCC1=NC(S(=O)(=O)CC2CC(F)(F)C2)=NN1	REAL250005015659	0	30	0.0	-16.54	272.75	2.47	-14.07
CCC1=NC(S(=O)(=O)CCC2=CN(C)N=C2)=NN1	REAL250005015660	0	33	0.0	-18.49	295.48	1.80	-16.69
CCC1=NC(S(=O)(=O)CCC2CCOCC2)=NN1	REAL250005015661	0	37	0.0	-15.80	304.59	1.79	-14.01
CCC1=NC(S(=O)(=O)CC2=NN=C(C)N2)=NN1	REAL250005015662	0	29	0.0	-22.28	267.14	0.48	-21.80
CCC1=NC(S(=O)(=O)CC2=C(C)C=CC=C2Cl)=NN1	REAL250005015663	0	33	0.0	-15.07	300.28	4.27	-10.80
CCC1=NC(S(=O)(=O)CC2=NN=C(C(C)(C)C)N2)=NN1	REAL250005015664	0	38	0.0	-21.17	328.00	2.12	-19.05
CCC1=NC(S(=O)(=O)CC2CCCCC2(F)F)=NN1	REAL250005015665	0	36	0.0	-13.66	299.65	3.70	-9.96
CCC1=NC(S(=O)(=O)CC2=CC(C)=NC=N2)=NN1	REAL250005015666	0	31	0.0	-17.98	282.63	1.80	-16.18
CCC1=NC(S(=O)(=O)CC2=NN(C)C=C2)=NN1	REAL250005015667	0	30	0.0	-20.09	274.01	0.91	-19.18
CCC1=NC(S(=O)(=O)CCC2=CSC=N2)=NN1	REAL250005015668	0	29	0.0	-15.80	276.98	1.03	-14.77
CCC1=NC(S(=O)(=O)C(C)C2=NN=CN2C)=NN1	REAL250005015669	0	32	0.0	-24.69	284.01	2.60	-22.09
CCC1=NC(S(=O)(=O)CC2=NN=C(C(C)C)N2)=NN1	REAL250005015670	0	35	0.0	-21.30	307.89	1.67	-19.63
CCC1=NC(S(=O)(=O)CC2=C(C)ON=C2)=NN1	REAL250005015671	0	29	0.0	-17.24	266.93	1.46	-15.78
CCC1=NC(S(=O)(=O)CC2=C(C)N=CS2)=NN1	REAL250005015672	0	29	0.0	-16.10	273.42	1.04	-15.06
CCC1=NC(S(=O)(=O)CC2=CN=CC(C)=C2)=NN1	REAL250005015673	0	32	0.0	-17.13	287.43	2.09	-15.04
CCC1=NC(S(=O)(=O)CC2=CC=CN=C2C)=NN1	REAL250005015674	0	32	0.0	-16.92	281.91	1.99	-14.93
CCC1=NC(S(=O)(=O)CCN2CCNC2=O)=NN1	REAL250005015675	0	33	0.0	-22.51	291.34	-1.12	-23.63
CCC1=NC(S(=O)(=O)CC2=CN=NN2C)=NN1	REAL250005015676	0	29	0.0	-20.31	265.68	-0.42	-20.73
CCC1=NC(S(=O)(=O)CC[C@H](O)C2=CC=CC=C2)=NN1	REAL250005015677	0	37	0.0	-16.58	321.28	1.68	-14.90
CCC1=NC(S(=O)(=O)C(C)C2=NN=C(C)N2)=NN1	REAL250005015678	0	32	0.0	-24.16	284.51	0.93	-23.23
CCC1=NC(S(=O)(=O)CC2=NON=C2C)=NN1	REAL250005015679	0	28	0.0	-19.17	262.43	-0.25	-19.42
CCC1=NC(S(=O)(=O)CC(C)S(C)(=O)=O)=NN1	REAL250005015680	0	32	0.0	-26.23	282.93	-0.47	-26.70
CCC1=NC(S(=O)(=O)CC2=CN(C)N=C2C)=NN1	REAL250005015681	0	33	0.0	-19.32	293.91	1.60	-17.72
CCC1=NC(S(=O)(=O)CCC2=CN=CS2)=NN1	REAL250005015682	0	29	0.0	-15.89	277.42	1.24	-14.65
CCC1=NC(S(=O)(=O)C(C)C(=O)NC(=O)NC)=NN1	REAL250005015683	0	34	0.0	-31.35	303.44	-1.39	-32.74
CCC1=NC(S(=O)(=O)C(C)C(=O)NC(N)=O)=NN1	REAL250005015684	0	31	0.0	-31.29	281.51	-2.80	-34.09
CCC1=NC(S(=O)(=O)CC2CNC(=O)O2)=NN1	REAL250005015685	0	29	0.0	-27.47	263.74	-2.55	-30.02
CCC1=NC(S(=O)(=O)CC2=CC=NC(OC)=C2)=NN1	REAL250005015686	0	33	0.0	-17.80	298.23	-0.06	-17.86
CCC1=NC(S(=O)(=O)CCC2(C#N)CCCCC2)=NN1	REAL250005015687	0	40	0.0	-19.11	326.89	3.86	-15.25
CCC1=NC(S(=O)(=O)CC2=CSC=N2)=NN1	REAL250005015688	0	26	0.0	-17.36	255.77	0.21	-17.15
CCC1=NC(S(=O)(=O)CCC2=CNN=C2)=NN1	REAL250005015689	0	30	0.0	-17.94	272.52	0.48	-17.46
CCC1=NC(S(=O)(=O)C(C)C2=NOC(C)=N2)=NN1	REAL250005015690	0	31	0.0	-18.29	281.37	-0.95	-19.24
CCC1=NC(S(=O)(=O)CC2=NC(C(F)F)=NO2)=NN1	REAL250005015691	0	28	0.0	-19.41	275.74	-1.00	-20.41
CCC1=NC(S(=O)(=O)CC2=CC=C(C)C=C2C)=NN1	REAL250005015692	0	36	0.0	-15.10	308.34	4.48	-10.62
CCC1=NC(S(=O)(=O)CC2=NC(C3CC3)=NN2C)=NN1	REAL250005015693	0	36	0.0	-20.06	319.71	2.82	-17.24
CCC1=NC(S(=O)(=O)CCNC(=O)NC(C)C)=NN1	REAL250005015694	0	38	0.0	-21.70	329.03	-1.12	-22.82
CCC1=NC(S(=O)(=O)CC2=COC(C(C)C)=N2)=NN1	REAL250005015695	0	35	0.0	-18.76	310.85	-0.11	-18.87
CCC1=NC(S(=O)(=O)CC2=COC(C)=N2)=NN1	REAL250005015696	0	29	0.0	-19.37	268.54	-1.47	-20.84
CCC1=NC(S(=O)(=O)CC2=NN(C(C)(C)C)N=N2)=NN1	REAL250005015697	0	37	0.0	-19.28	324.50	0.96	-18.32
CCC1=NC(S(=O)(=O)CC2=CON=C2CC)=NN1	REAL250005015698	0	32	0.0	-17.74	289.18	1.96	-15.78
CCC1=NC(S(=O)(=O)CC2=CC=C(C)N=C2)=NN1	REAL250005015699	0	32	0.0	-17.58	287.58	2.06	-15.52
CCC1=NC(S(=O)(=O)CC2=NSN=C2)=NN1	REAL250005015700	0	25	0.0	-17.12	248.86	-0.87	-17.99
CCC1=NC(S(=O)(=O)CC2=C(C)N=NS2)=NN1	REAL250005015701	0	28	0.0	-16.84	268.92	0.43	-16.41
CCC1=NC(S(=O)(=O)CC2=NN3CCCC3=C2)=NN1	REAL250005015702	0	34	0.0	-21.12	297.67	1.71	-19.41
CCC1=NC(S(=O)(=O)CCCC2=NC(C)=NO2)=NN1	REAL250005015703	0	34	0.0	-20.76	305.74	0.38	-20.38
CCC1=NC(S(=O)(=O)CC2=NN3CCCCC3=C2)=NN1	REAL250005015704	0	37	0.0	-19.59	315.74	2.53	-17.06
CCC1=NC(S(=O)(=O)CC2=CN=CS2)=NN1	REAL250005015705	0	26	0.0	-16.43	255.89	0.45	-15.98
CCC1=NC(S(=O)(=O)C(C)C2=CC=C(Cl)C=C2)=NN1	REAL250005015706	0	33	0.0	-14.04	301.18	4.17	-9.87
CCC1=NC(S(=O)(=O)CC2=CN(C(C)(C)C)N=C2)=NN1	REAL250005015707	0	39	0.0	-18.65	333.90	3.02	-15.63
CCC1=NC(S(=O)(=O)CC2=CC(C)=NC(C)=N2)=NN1	REAL250005015708	0	34	0.0	-18.29	304.47	1.75	-16.54
CCC1=NC(S(=O)(=O)CC2=CON=C2C)=NN1	REAL250005015709	0	29	0.0	-17.90	267.68	1.22	-16.68
CCC1=NN=C(C(C)S(=O)(=O)C2=NNC(CC)=N2)N1	REAL250005015710	0	35	0.0	-23.83	305.97	1.55	-22.28
CCC1=NC(S(=O)(=O)CCC2=CN(C)N=N2)=NN1	REAL250005015711	0	32	0.0	-21.26	289.45	0.49	-20.77
CCC1=NC(S(=O)(=O)CC2=NN(C)C(Cl)=C2)=NN1	REAL250005015712	0	30	0.0	-17.39	290.16	1.25	-16.14
CCC1=NC(S(=O)(=O)CC2=CC(OC)=C(C)C=N2)=NN1	REAL250005015713	0	36	0.0	-17.71	316.16	1.42	-16.29
CCC1=NC(S(=O)(=O)CC2=NC=CC=C2Cl)=NN1	REAL250005015714	0	29	0.0	-17.11	279.63	1.83	-15.28
CCC1=NC(S(=O)(=O)CC2=CC=CC(C(C)C)=C2)=NN1	REAL250005015715	0	39	0.0	-15.31	331.36	5.16	-10.15
CCC1=NC(S(=O)(=O)C(C(N)=O)C2=CC=CC=C2)=NN1	REAL250005015716	0	34	0.0	-15.92	296.28	0.18	-15.74
CCC1=NC(S(=O)(=O)CC2=CSC(Cl)=N2)=NN1	REAL250005015717	0	26	0.0	-17.55	272.86	0.72	-16.83
CCC1=NC(S(=O)(=O)CC2=NN(C)N=C2)=NN1	REAL250005015718	0	29	0.0	-19.14	268.00	-0.60	-19.74
CCC1=NC(S(=O)(=O)CC2=CC=CN=C2OC)=NN1	REAL250005015719	0	33	0.0	-18.43	296.87	0.02	-18.41
CCC1=NC(S(=O)(=O)CCC2=CN(CC)N=C2)=NN1	REAL250005015720	0	36	0.0	-18.26	317.01	2.66	-15.60
CCC1=NC(S(=O)(=O)CC2=COC(C3CC3)=N2)=NN1	REAL250005015721	0	33	0.0	-19.11	300.04	0.10	-19.01
CCC1=NC(S(=O)(=O)CC(=O)NCC(C)(C)C)=NN1	REAL250005015722	0	39	0.0	-21.41	328.04	0.82	-20.59
CCC1=NC(S(=O)(=O)CC2=NOC(C3CCC3)=N2)=NN1	REAL250005015723	0	35	0.0	-17.31	310.84	0.72	-16.59
CCC1=NC(S(=O)(=O)CC2=CC(OC)=NO2)=NN1	REAL250005015724	0	30	0.0	-18.02	279.07	-1.20	-19.22
CCC1=NC(S(=O)(=O)CC2=CC=NC(F)=C2)=NN1	REAL250005015725	0	29	0.0	-18.31	272.44	1.41	-16.90
CCC1=NC(S(=O)(=O)CC2=C(C)C=C(C)N=C2C)=NN1	REAL250005015726	0	38	0.0	-16.65	318.33	3.25	-13.40
CCC1=NC(S(=O)(=O)CC2=NC(CC3CC3)=NO2)=NN1	REAL250005015727	0	35	0.0	-17.16	315.80	0.97	-16.19
CCC1=NC(S(=O)(=O)CC2=NC=CN=C2C)=NN1	REAL250005015728	0	31	0.0	-18.18	276.91	0.07	-18.11
CCC1=NC(S(=O)(=O)CC2=CC=C(C)C(F)=C2)=NN1	REAL250005015729	0	33	0.0	-16.45	297.86	3.94	-12.51
CCC1=NC(S(=O)(=O)CC2=CC=C(C)C(C#N)=C2)=NN1	REAL250005015730	0	34	0.0	-18.79	311.14	4.12	-14.67
CCC1=NC(S(=O)(=O)CC2=NC(C3CCC3)=NO2)=NN1	REAL250005015731	0	35	0.0	-17.39	310.71	0.74	-16.65
CCC1=NC(S(=O)(=O)CC2CC3(CCC3)C2)=NN1	REAL250005015732	0	37	0.0	-14.44	308.37	4.15	-10.29
CCC1=NC(S(=O)(=O)CC2=CC=C(CC)C=C2)=NN1	REAL250005015733	0	36	0.0	-15.37	314.02	4.68	-10.69
CCC1=NC(S(=O)(=O)CCC(O)C(C)C)=NN1	REAL250005015734	0	36	0.0	-14.87	302.00	-0.18	-15.05
CCC1=NC(S(=O)(=O)CC2=CSC(C)=C2)=NN1	REAL250005015735	0	30	0.0	-15.18	283.00	2.96	-12.22
CCC1=NC(S(=O)(=O)CCN2C=NN=N2)=NN1	REAL250005015736	0	28	0.0	-22.10	262.20	0.39	-21.71
CCC1=NC(S(=O)(=O)CCC2CCCC2(F)F)=NN1	REAL250005015737	0	36	0.0	-15.61	305.33	3.66	-11.95
CCC1=NC(S(=O)(=O)CC2=NOC=C2C)=NN1	REAL250005015738	0	29	0.0	-18.29	266.96	1.15	-17.14
CCC1=NC(S(=O)(=O)CCCC(C)(F)F)=NN1	REAL250005015739	0	32	0.0	-17.97	286.87	2.67	-15.30
CCC1=NC(S(=O)(=O)CC2=NNC=C2C)=NN1	REAL250005015740	0	30	0.0	-18.59	270.95	0.25	-18.34
CCC1=NC(S(=O)(=O)CCOC2CCCCC2)=NN1	REAL250005015741	0	40	0.0	-13.34	328.68	2.91	-10.43
CCC1=NC(S(=O)(=O)CC2=CN=C(C)S2)=NN1	REAL250005015742	0	29	0.0	-16.56	277.84	1.16	-15.40
CCC1=NC(S(=O)(=O)CC2=CN=NS2)=NN1	REAL250005015743	0	25	0.0	-17.50	249.89	-0.15	-17.65
CCC1=NC(S(=O)(=O)CCCCCNC(C)=O)=NN1	REAL250005015744	0	39	0.0	-21.43	336.54	0.90	-20.53
CCC1=NC(S(=O)(=O)CC=C(Cl)Cl)=NN1	REAL250005015745	0	24	0.0	-13.58	254.57	1.87	-11.71
CCC1=NC(S(=O)(=O)CC(=O)NC2=NOC=C2)=NN1	REAL250005015746	0	30	0.0	-22.60	278.87	-0.16	-22.76
CCC1=NC(S(=O)(=O)CCC2=CC=NN2C)=NN1	REAL250005015747	0	33	0.0	-17.51	292.93	1.55	-15.96
CCOCCOCCS(=O)(=O)C1=NNC(CC)=N1	REAL250005015748	0	37	0.0	-15.52	322.27	0.47	-15.05
CCC1=NC(S(=O)(=O)CCCCC2(C#N)CCC2)=NN1	REAL250005015749	0	40	0.0	-19.40	341.53	4.60	-14.80
CCC1=NC(S(=O)(=O)CC2=C(CC)ON=C2C)=NN1	REAL250005015750	0	35	0.0	-16.54	309.27	2.80	-13.74
CCC1=NC(S(=O)(=O)CC2=NOC3=C2COCC3)=NN1	REAL250005015751	0	34	0.0	-19.18	300.46	0.87	-18.31
CCC1=NC(S(=O)(=O)CCN2CCOC2=O)=NN1	REAL250005015752	0	32	0.0	-23.46	287.56	0.33	-23.13
CCC1=NC(S(=O)(=O)CC2=CSC=C2)=NN1	REAL250005015753	0	27	0.0	-15.08	261.12	2.15	-12.93
CCC1=NC(S(=O)(=O)CC2=CC=C(Cl)C(C)=C2)=NN1	REAL250005015754	0	33	0.0	-15.39	306.60	4.33	-11.06
CCC1=NC(S(=O)(=O)C(C)C(=O)N2CCC2)=NN1	REAL250005015755	0	34	0.0	-22.41	296.33	1.14	-21.27
CCC1=NC(S(=O)(=O)CC2=NN(C)C=C2C)=NN1	REAL250005015756	0	33	0.0	-19.68	293.87	1.51	-18.17
CCC1=NC(S(=O)(=O)CC2=CN(CCF)N=C2)=NN1	REAL250005015757	0	33	0.0	-19.25	302.07	2.00	-17.25
CCC1=NC(S(=O)(=O)CC2=CON=C2C2CC2)=NN1	REAL250005015758	0	33	0.0	-18.04	298.97	2.79	-15.25
CCC1=NC(S(=O)(=O)CC2=C3COCCC3=NN2)=NN1	REAL250005015759	0	35	0.0	-18.92	304.20	-0.40	-19.32
CCC1=NC(S(=O)(=O)CC2=NC(C)=CC(OC)=N2)=NN1	REAL250005015760	0	35	0.0	-18.05	315.12	-0.52	-18.57
CCC1=NC(S(=O)(=O)CC2=CC=NN2CC)=NN1	REAL250005015761	0	33	0.0	-17.44	293.67	1.65	-15.79
CCC1=NC(S(=O)(=O)CCNC(=O)C2CC2)=NN1	REAL250005015762	0	34	0.0	-20.83	302.88	0.14	-20.69
CCC1=NC(S(=O)(=O)CC2=CON=C2C(C)C)=NN1	REAL250005015763	0	35	0.0	-17.53	308.76	2.48	-15.05
CCOC1=CC(CS(=O)(=O)C2=NNC(CC)=N2)=CC=N1	REAL250005015764	0	36	0.0	-17.70	320.08	0.87	-16.83
CCC1=NC(S(=O)(=O)C(C)C2=CC=C(C)C(C)=C2)=NN1	REAL250005015765	0	39	0.0	-14.51	323.55	4.89	-9.62
CCC1=NC(S(=O)(=O)CCOCC(F)F)=NN1	REAL250005015766	0	30	0.0	-17.50	279.80	0.56	-16.94
CCC1=NC(S(=O)(=O)CC2=CC(=O)NC(C)=N2)=NN1	REAL250005015767	0	32	0.0	-22.00	292.37	-0.16	-22.16
CCC1=NC(S(=O)(=O)CC2=CC=C(C#N)C=N2)=NN1	REAL250005015768	0	30	0.0	-19.19	287.02	1.79	-17.40
CCC1=NC(S(=O)(=O)C(C)C2=NC=CS2)=NN1	REAL250005015769	0	29	0.0	-17.22	274.34	0.90	-16.32
CCC1=NC(S(=O)(=O)CC2=CC=CC(F)=N2)=NN1	REAL250005015770	0	29	0.0	-19.89	272.55	1.33	-18.56
CCC1=NC(S(=O)(=O)CCC(C)(C)C(F)(F)F)=NN1	REAL250005015771	0	35	0.0	-15.96	302.94	2.95	-13.01
CCC1=NC(S(=O)(=O)CCC2=CC=CC=C2C)=NN1	REAL250005015772	0	36	0.0	-14.44	308.04	4.50	-9.94
CCC1=NC(S(=O)(=O)CC2CCS(=O)(=O)C2)=NN1	REAL250005015773	0	33	0.0	-23.10	292.59	-1.02	-24.12
CCC1=NC(S(=O)(=O)CC2=CC(C(C)(C)C)=NO2)=NN1	REAL250005015774	0	38	0.0	-17.81	328.71	3.26	-14.55
CCC1=NC(S(=O)(=O)CC2=NN=C3CCCN23)=NN1	REAL250005015775	0	33	0.0	-24.19	291.73	2.66	-21.53
CCC1=NC(S(=O)(=O)CC2=NN(CCF)C=C2)=NN1	REAL250005015776	0	33	0.0	-19.45	302.13	1.91	-17.54
CCC1=NC(S(=O)(=O)CC2=CC(=O)NC(CC)=N2)=NN1	REAL250005015777	0	35	0.0	-21.55	312.33	0.85	-20.70
CCC1=NOC(CS(=O)(=O)C2=NNC(CC)=N2)=C1	REAL250005015778	0	32	0.0	-17.99	289.53	2.12	-15.87
CCC1=NC(S(=O)(=O)CC2=CN=C(OC)C=C2C)=NN1	REAL250005015779	0	36	0.0	-17.02	314.75	0.49	-16.53
CCC1=NC(S(=O)(=O)CC2=CC=C(C)C=C2F)=NN1	REAL250005015780	0	33	0.0	-16.73	297.86	3.93	-12.80
CCC1=NC(S(=O)(=O)CC2=NC=CC=C2F)=NN1	REAL250005015781	0	29	0.0	-18.28	271.46	1.41	-16.87
CCCN1C=CC(CS(=O)(=O)C2=NNC(CC)=N2)=N1	REAL250005015782	0	36	0.0	-19.85	317.04	2.53	-17.32
CCC1=NC(S(=O)(=O)CC2=CC=CC(C3CC3)=C2)=NN1	REAL250005015783	0	37	0.0	-15.54	320.35	5.33	-10.21
CCC1=NC(S(=O)(=O)CC2=CON=C2COC)=NN1	REAL250005015784	0	33	0.0	-18.35	301.35	0.26	-18.09
CCC1=NC(S(=O)(=O)CCC2=CC=CC(Cl)=C2)=NN1	REAL250005015785	0	33	0.0	-15.20	309.40	4.52	-10.68
CCC1=NC(S(=O)(=O)CCOC2CCC2)=NN1	REAL250005015786	0	34	0.0	-13.62	293.94	1.64	-11.98
C=C(Cl)CCCS(=O)(=O)C1=NNC(CC)=N1	REAL250005015787	0	30	0.0	-15.92	284.09	2.86	-13.06
CCC1=NC(S(=O)(=O)CC2=CC(OC)=CC=C2F)=NN1	REAL250005015788	0	34	0.0	-17.24	305.94	2.55	-14.69
CCC1=NC(S(=O)(=O)CC2=C(C)C=NN2C)=NN1	REAL250005015789	0	33	0.0	-17.20	290.67	1.45	-15.75
CCC1=NC(S(=O)(=O)CC2=NN=CN2CC)=NN1	REAL250005015790	0	32	0.0	-22.37	288.05	3.15	-19.22
CCC1=NC(S(=O)(=O)CC2=CN(C3CC3)N=N2)=NN1	REAL250005015791	0	33	0.0	-22.33	297.64	1.22	-21.11
CCC1=NC(S(=O)(=O)CCC2CCOC2)=NN1	REAL250005015792	0	34	0.0	-16.06	288.34	1.10	-14.96
CCC1=NC(S(=O)(=O)CC2=CC(C)=NN2C)=NN1	REAL250005015793	0	33	0.0	-18.20	293.50	1.36	-16.84
CCC1=NC(S(=O)(=O)CC2=CON=C2C2CCC2)=NN1	REAL250005015794	0	36	0.0	-17.60	314.86	3.25	-14.35
CCC1=NC(S(=O)(=O)CC2=CC=CC(Cl)=C2C)=NN1	REAL250005015795	0	33	0.0	-15.21	300.87	4.26	-10.95
CCC1=NC(S(=O)(=O)CCCC2=NN=CO2)=NN1	REAL250005015796	0	31	0.0	-22.79	284.29	-3.03	-25.82
CCC1=NC(S(=O)(=O)CC2=CSC(Cl)=C2)=NN1	REAL250005015797	0	27	0.0	-15.15	278.16	2.77	-12.38
CCC1=NC(S(=O)(=O)CC2=NC(C)=CC=C2OC)=NN1	REAL250005015798	0	36	0.0	-19.26	316.10	1.37	-17.89
CCC1=CSC(CS(=O)(=O)C2=NNC(CC)=N2)=N1	REAL250005015799	0	32	0.0	-16.74	298.87	1.72	-15.02
CCC1=NC(S(=O)(=O)CC2=CN=C(OC)C(C)=C2)=NN1	REAL250005015800	0	36	0.0	-17.66	318.32	0.65	-17.01
CCC1=NC(S(=O)(=O)CC2=NOC(COC)=C2)=NN1	REAL250005015801	0	33	0.0	-19.75	301.72	0.40	-19.35
CCC1=NC(S(=O)(=O)CC2=CON=C2C(C)(C)C)=NN1	REAL250005015802	0	38	0.0	-17.02	314.32	2.88	-14.14
CCC1=CC(CS(=O)(=O)C2=NNC(CC)=N2)=NO1	REAL250005015803	0	32	0.0	-17.94	289.55	2.12	-15.82
CCC1=NC(S(=O)(=O)CC2=CC(C)=NN2)=NN1	REAL250005015804	0	30	0.0	-17.79	272.97	0.15	-17.64
CCC1=NC(S(=O)(=O)CC2=NNC(C)=C2)=NN1	REAL250005015804	1	30	0.0	-18.65	272.97	0.16	-18.49
CCC1=NC(S(=O)(=O)CC2=CC(C3CC3)=NO2)=NN1	REAL250005015805	0	33	0.0	-18.01	298.23	2.88	-15.13
CCC1=NC(S(=O)(=O)CC2=C(C3CCC3)OC=N2)=NN1	REAL250005015806	0	36	0.0	-18.11	314.69	0.67	-17.44
CCC1=NC(S(=O)(=O)C(C)C2=NNC=N2)=NN1	REAL250005015807	0	29	0.0	-20.14	263.52	0.62	-19.52
CCC1=NC(S(=O)(=O)C(CC)C2=NNC=N2)=NN1	REAL250005015808	0	32	0.0	-19.96	284.23	1.05	-18.91
CCC1=NC(S(=O)(=O)CC2=CC=C(F)N=C2)=NN1	REAL250005015809	0	29	0.0	-18.45	272.40	1.39	-17.06
CCC1=NC(S(=O)(=O)CC2=CC=NC(COC)=N2)=NN1	REAL250005015810	0	35	0.0	-19.97	316.45	0.12	-19.85
CCC1=NC(S(=O)(=O)CCC2(C#N)CC2)=NN1	REAL250005015811	0	31	0.0	-18.25	282.52	2.62	-15.63
CCC1=NC(S(=O)(=O)CC2=CC=C(OC)N=C2C)=NN1	REAL250005015812	0	36	0.0	-17.17	312.70	0.54	-16.63
CCC1=NC(S(=O)(=O)CC2=CC(C(C)C)=NN2)=NN1	REAL250005015813	0	36	0.0	-17.39	313.11	1.42	-15.97
CCC1=NC(S(=O)(=O)C2CCN(C)C2=O)=NN1	REAL250005015814	0	31	0.0	-20.35	270.79	0.14	-20.21
CCC1=NC(S(=O)(=O)CC2=CC=CC(CC#N)=N2)=NN1	REAL250005015815	0	33	0.0	-27.72	307.98	2.50	-25.22
CCC1=NC(S(=O)(=O)CC2=CC=NC=N2)=NN1	REAL250005015816	0	28	0.0	-18.07	260.95	1.19	-16.88
CCC1=NC(S(=O)(=O)CC(O)COC(C)C)=NN1	REAL250005015817	0	37	0.0	-18.64	318.39	-0.97	-19.61
CCC1=NC(S(=O)(=O)CC2=CC=C(OC)N=C2)=NN1	REAL250005015818	0	33	0.0	-17.75	298.18	-0.07	-17.82
CCC1=NC(S(=O)(=O)CC2=NC=CC=C2OC)=NN1	REAL250005015819	0	33	0.0	-19.17	294.50	0.77	-18.40
CCC1=NC(S(=O)(=O)CC2=CC(C)=CN=C2F)=NN1	REAL250005015820	0	32	0.0	-19.00	292.77	2.02	-16.98
CCC1=NC(S(=O)(=O)CC2=CN=C(F)C=C2C)=NN1	REAL250005015821	0	32	0.0	-17.42	288.97	1.96	-15.46
CCC1=NC(S(=O)(=O)CC2=C(C)OC(C)=N2)=NN1	REAL250005015822	0	32	0.0	-19.04	288.26	-0.72	-19.76
CCC1=NC(S(=O)(=O)CC2=CC=C(OC)C=C2F)=NN1	REAL250005015823	0	34	0.0	-17.59	305.95	2.56	-15.03
CCC1=NC(S(=O)(=O)CC2=CC(C)=NC(OC)=N2)=NN1	REAL250005015824	0	35	0.0	-20.67	314.81	-1.55	-22.22