COC(=O)NN=C(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332855	0	40	0.0	-19.73	346.21	0.03	-19.70
CC(=NN1C=NN=C1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332856	0	38	0.0	-21.65	327.31	4.13	-17.52
CC(=NNC1=CC=CC=C1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332857	0	44	0.0	-16.95	370.48	4.51	-12.44
CNC(=S)NN=C(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332858	0	41	0.0	-22.06	359.07	2.19	-19.87
CC(=O)NN=C(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332859	0	39	0.0	-24.44	335.37	0.65	-23.79
CC(=NN1CCN(C)CC1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332860	0	49	0.0	-13.75	391.61	1.72	-12.03
CC(=NNC(=O)C(N)=O)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332861	0	40	0.0	-21.15	350.99	-3.23	-24.38
CCC(=O)NN=C(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332862	0	42	0.0	-24.10	355.17	1.47	-22.63
CC(=NNC1=CC=CC=N1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332863	0	43	0.0	-20.41	366.45	3.68	-16.73
CC(=NN1CCOCC1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332864	0	45	0.0	-14.40	368.14	1.94	-12.46
CC(=NNC(=O)C1CC1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332865	0	43	0.0	-23.94	366.19	2.23	-21.71
CC(=NNC(=O)C(C)C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332866	0	45	0.0	-23.65	375.21	2.10	-21.55
CC(=NNC(=O)CC(C)C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332867	0	48	0.0	-23.17	393.89	2.82	-20.35
CC(=NNC(=O)C1=CC=CN1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332868	0	44	0.0	-26.75	377.66	1.52	-25.23
CCON=C(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332869	0	39	0.0	-16.12	331.94	2.30	-13.82
CCOC(=O)NN=C(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332870	0	43	0.0	-19.59	368.07	0.96	-18.63
CC(=NNC1=CC=CC=C1F)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332871	0	44	0.0	-16.88	375.95	4.60	-12.28
CC(=NOCC1=CC=CC=C1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332872	0	46	0.0	-16.85	392.34	5.35	-11.50
CC(=NNC1=CC=C(F)C=C1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332873	0	44	0.0	-17.04	376.90	4.58	-12.46
CC(=NNC1=CC=C(C)C=C1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332874	0	47	0.0	-16.94	391.88	5.19	-11.75
CC(=NNC1=CC=CC=C1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332875	0	44	0.0	-16.95	370.48	4.51	-12.44
CC(=NNC(N)=O)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332876	0	38	0.0	-19.48	326.67	-1.99	-21.47
CC(=NNC(=N)N)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332877	0	39	0.0	-20.49	333.21	1.03	-19.46
CC(=NNC1=CC=CC(C)=C1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332878	0	47	0.0	-16.99	391.38	5.19	-11.80
CON=C(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332879	0	36	0.0	-16.18	310.58	1.35	-14.83
CC(N=NC1=NC=CC=N1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332880	0	42	0.0	-19.82	367.28	3.04	-16.78
CC(N=NC1=CN=CC=N1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332881	0	42	0.0	-17.36	367.25	0.83	-16.53
CC(=NNC1=CN=CC=N1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332881	1	42	0.0	-20.63	360.72	1.83	-18.80
CCCNN=C(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332882	0	43	0.0	-15.04	354.88	2.32	-12.72
CCCCNN=C(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332883	0	46	0.0	-14.93	376.88	3.09	-11.84
CC(=NNC(=O)C(C)(C)C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332884	0	48	0.0	-23.60	394.10	2.64	-20.96
CCCCC(=O)NN=C(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332885	0	48	0.0	-23.82	398.65	3.01	-20.81
CCC(C)C(=O)NN=C(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332886	0	48	0.0	-23.51	393.33	2.75	-20.76
CNC(=O)NN=C(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332887	0	41	0.0	-19.86	349.09	-0.54	-20.40
CC(=NNC1=CC=CC(F)=C1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332888	0	44	0.0	-16.59	376.89	4.59	-12.00
CCNC(=O)NN=C(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332889	0	44	0.0	-19.53	370.08	0.30	-19.23
CCCNC(=O)NN=C(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332890	0	47	0.0	-19.30	391.58	1.07	-18.23
CC(=NNC(=O)N(C)C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332891	0	44	0.0	-20.02	359.79	1.48	-18.54
CC(=NNC(=O)NC(C)C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332892	0	47	0.0	-19.58	391.21	1.12	-18.46
CCS(=O)(=O)NN=C(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332893	0	43	0.0	-21.34	374.83	-0.83	-22.17
CC(=NNC1=CC=C(C)C=N1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332894	0	46	0.0	-20.24	387.41	4.32	-15.92
CC(=NNC(=O)CN(C)C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332895	0	47	0.0	-24.07	389.16	-0.21	-24.28
CC(=NNC1CCCC1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332896	0	47	0.0	-14.55	378.12	3.62	-10.93
CC(=NNC(=S)N(C)C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332897	0	44	0.0	-22.24	368.35	3.88	-18.36
CC(=NNC1=CC(C)=NC=N1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332898	0	45	0.0	-21.11	382.95	4.10	-17.01
CC1=NC=NC(N=NC(C)C2=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C2)=C1	REAL300024332898	1	45	0.0	-17.03	389.52	3.09	-13.94
CC1=CC=C(N=NC(C)C2=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C2)N=N1	REAL300024332899	0	45	0.0	-20.42	389.07	2.18	-18.24
CC(=NNC1=CC=C(C)N=N1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332899	1	45	0.0	-24.72	382.55	3.19	-21.53
CC(=NNCCCO)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332900	0	44	0.0	-16.76	366.80	-1.02	-17.78
CC(=NNC(N)=O)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332901	0	38	0.0	-19.48	326.67	-1.99	-21.47
CC(=NNC(=O)C1CCC1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332902	0	46	0.0	-23.72	381.89	2.74	-20.98
CCOCC(=O)NN=C(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332903	0	46	0.0	-27.22	389.74	1.81	-25.41
CC(N=NC1=CC=CN=N1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332904	0	42	0.0	-20.54	367.42	1.58	-18.96
CC(=NNC(C)CO)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332905	0	44	0.0	-16.50	364.82	-0.93	-17.43
COC(=O)C(=O)NN=C(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332906	0	42	0.0	-21.38	369.60	1.23	-20.15
CC(=NNC(=O)CCO)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332907	0	43	0.0	-23.64	366.59	-1.87	-25.51
CC(=NNS(C)(=O)=O)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332908	0	40	0.0	-21.95	353.86	-1.73	-23.68
CC(=NOCC(F)(F)F)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332909	0	39	0.0	-16.18	352.01	2.76	-13.42
CC(=NNC(=N)N)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332910	0	39	0.0	-20.49	333.21	1.03	-19.46
COCC(=O)NN=C(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332911	0	43	0.0	-27.25	367.89	0.85	-26.40
CC(=NNC1CCOCC1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332912	0	48	0.0	-15.33	387.27	1.78	-13.55
CC(=NNC1=CC(C)=CC=N1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332913	0	46	0.0	-20.28	387.95	4.35	-15.93
CC(=NOC(C)(C)C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332914	0	45	0.0	-15.47	371.10	3.81	-11.66
CC(=NOC1CCCCO1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332915	0	47	0.0	-17.97	386.30	3.62	-14.35
CC(=NOCC1=CC=CN=C1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332916	0	45	0.0	-17.94	386.68	3.57	-14.37
CC(=NOCC(C)C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332917	0	45	0.0	-15.66	373.55	3.76	-11.90
CC(=NNCC(C)C#N)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332918	0	44	0.0	-19.32	373.58	2.66	-16.66
CC(=NNC1=NCC(C)N1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332919	0	46	0.0	-20.52	380.30	2.05	-18.47
CC(=NNCC(C)C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332920	0	46	0.0	-14.79	373.76	2.99	-11.80
CC(=NNC(=O)CO)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332921	0	40	0.0	-29.04	345.63	-1.43	-30.47
CC(=NOC1CCCC1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332922	0	46	0.0	-15.62	377.19	4.35	-11.27
CC(=NNC1CC2CCC1C2)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332923	0	51	0.0	-13.07	400.87	4.60	-8.47
COCC(C)NN=C(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332924	0	47	0.0	-15.30	386.58	1.47	-13.83
CC(=NOCC(N)=O)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332925	0	40	0.0	-22.47	348.67	-0.54	-23.01
CC(=NNCCOC(C)C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332926	0	50	0.0	-15.87	409.61	2.35	-13.52
CC(=NN(C)C(N)=O)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332927	0	41	0.0	-19.17	346.48	-0.15	-19.32
CCC(CC)NN=C(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332928	0	49	0.0	-14.12	394.26	3.98	-10.14
CC(=NNC1CC1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332929	0	41	0.0	-14.91	344.26	2.44	-12.47
CC(=NNCCC(C)(C)C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332930	0	52	0.0	-14.66	410.12	3.98	-10.68
CC(=NNC(=O)C(F)F)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332931	0	39	0.0	-24.87	347.49	0.93	-23.94
CC(=NNC1=CC=NC=C1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332932	0	43	0.0	-18.25	364.93	2.75	-15.50
CC(=NOCC(F)F)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332933	0	39	0.0	-18.76	344.95	2.61	-16.15
CC(=NNC1=CN(C)N=C1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332934	0	44	0.0	-20.07	374.49	2.23	-17.84
CC(=NNC1=NC=CC=C1C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332935	0	46	0.0	-20.53	383.84	4.41	-16.12
CC(=NNC(=O)C(C)(C)O)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332936	0	46	0.0	-21.89	386.14	-1.13	-23.02
CC(=NNCC(F)F)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332937	0	40	0.0	-16.95	346.64	1.85	-15.10
CC(=NNC1CCCOC1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332938	0	48	0.0	-16.03	387.74	1.77	-14.26
CC(=NOCC1CCOC1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332939	0	47	0.0	-17.10	388.87	2.48	-14.62
CC(=NOC1CCOCC1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332940	0	47	0.0	-16.45	386.13	2.58	-13.87
CCOCCON=C(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332941	0	46	0.0	-17.45	387.92	2.53	-14.92
CCC(CC)CNN=C(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332942	0	52	0.0	-14.42	406.45	4.12	-10.30
CC(=NOC1CCCCC1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332943	0	49	0.0	-15.62	395.20	4.98	-10.64
CC(=NNCC(C)(C)CO)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332944	0	50	0.0	-15.99	400.61	0.41	-15.58
COCCON=C(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332945	0	43	0.0	-17.54	365.57	1.56	-15.98
CC(=NNC1=NN(C)C=C1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332946	0	44	0.0	-23.07	374.73	3.16	-19.91
CC(N=NC1=NN(C)C=C1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332946	1	44	0.0	-19.70	380.99	2.13	-17.57
CCC(C)NN=C(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332947	0	46	0.0	-14.57	375.82	3.12	-11.45
CSCCON=C(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332948	0	43	0.0	-16.61	376.67	3.55	-13.06
COCCCON=C(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332949	0	46	0.0	-16.93	387.11	2.17	-14.76
COC(=O)N(C)N=C(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332950	0	43	0.0	-20.37	365.99	2.26	-18.11
COCCN(C)N=C(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332951	0	47	0.0	-14.33	385.37	2.50	-11.83
CC(=NNC1=CN=CN=C1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332952	0	42	0.0	-18.43	359.76	2.56	-15.87
CC(=NNC1CCOCC1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332953	0	48	0.0	-15.33	387.27	1.78	-13.55
C=CCNN=C(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332954	0	41	0.0	-15.06	346.69	2.10	-12.96
CC(=NNC1=CC=CN=C1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332955	0	43	0.0	-19.06	365.33	2.74	-16.32
C=CCON=C(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332956	0	40	0.0	-16.06	344.85	2.89	-13.17
CC(=NNC1=CC=NC=N1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332957	0	42	0.0	-21.03	361.27	3.48	-17.55
CC(N=NC1=CC=NC=N1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332957	1	42	0.0	-17.35	367.84	2.48	-14.87
C#CCNN=C(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332958	0	39	0.0	-15.67	339.65	2.04	-13.63
CC(=NNC(C)C(C)(C)C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332959	0	52	0.0	-14.30	405.37	4.05	-10.25
CC(=NOCCOC(C)C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332960	0	49	0.0	-17.34	407.69	3.28	-14.06
CC(=NNC1=NC=CN1C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332961	0	44	0.0	-23.49	372.24	5.27	-18.22
CC(=NOCC1CC1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332962	0	43	0.0	-15.91	363.60	3.88	-12.03
CC(=NNCCO)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332963	0	41	0.0	-17.24	344.74	-1.78	-19.02
CC(=NOCCC1CC1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332965	0	46	0.0	-15.69	385.54	4.67	-11.02
CC(=NNC(=O)CC1CC1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332966	0	46	0.0	-24.10	386.60	3.01	-21.09
CC(=NOC(C)C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332967	0	42	0.0	-15.88	353.08	3.06	-12.82
CCC(C)CON=C(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332968	0	48	0.0	-15.53	391.77	4.42	-11.11
CC(=NNCC(C)O)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332970	0	44	0.0	-15.87	366.35	-1.02	-16.89
CC(=NNC1=CN=NN1C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332971	0	43	0.0	-21.95	367.85	1.77	-20.18
C#CCON=C(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332972	0	38	0.0	-17.23	337.73	2.84	-14.39
CC(=NOC1CCC1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332973	0	43	0.0	-15.92	359.67	3.72	-12.20
CC(N=NC1=NNC=N1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332974	0	40	0.0	-21.15	352.65	2.89	-18.26
CC(=NNC1CCSC1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332975	0	45	0.0	-15.80	379.06	3.25	-12.55
CC(=NNC1CCCCC1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332976	0	50	0.0	-14.44	396.33	4.17	-10.27
C=C(C)CNN=C(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332977	0	44	0.0	-14.77	368.30	2.75	-12.02
CCC(O)CNN=C(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332978	0	47	0.0	-15.64	386.62	-0.19	-15.83
CC(=NOCC=CCl)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332979	0	40	0.0	-15.82	361.73	3.49	-12.33
CNC(=S)N(C)N=C(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332980	0	44	0.0	-29.92	377.48	3.57	-26.35
CC(=NN(C)CC(C)O)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332981	0	47	0.0	-15.07	387.80	0.77	-14.30
CC(=NNC1=NCCN1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332982	0	43	0.0	-20.80	359.90	1.32	-19.48
CC(=NNC(=O)OC(C)C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332983	0	46	0.0	-19.64	388.31	1.67	-17.97
CCCON=C(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332984	0	42	0.0	-15.92	353.94	3.10	-12.82
CCN(CCO)N=C(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332985	0	47	0.0	-14.56	382.19	0.87	-13.69
CC(=NN(C)C(C)CO)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332986	0	47	0.0	-15.39	379.55	0.91	-14.48
CC(=NNC12CC(C1)C2)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332987	0	45	0.0	-14.40	368.48	3.42	-10.98
CC(=NNCC1(C)CCC1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332988	0	50	0.0	-14.55	397.46	4.15	-10.40
C=CC(C)ON=C(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332989	0	43	0.0	-15.77	365.87	3.61	-12.16
C=C(C)CON=C(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332990	0	43	0.0	-15.96	364.75	3.62	-12.34
CC(=NNCC1=CC=CC=C1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332991	0	47	0.0	-15.14	393.28	4.55	-10.59
CC(=NN1CCCCC1C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332992	0	50	0.0	-13.23	395.35	5.00	-8.23
CC(=NNC(=O)C1=CC=NN1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332993	0	43	0.0	-24.11	372.36	0.22	-23.89
CC(=NNC(=O)C1=NNC=C1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332993	1	43	0.0	-25.99	373.86	0.22	-25.77
CC(=NNCC(C)(C)O)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332994	0	47	0.0	-15.59	384.01	-0.29	-15.88
CC(=NOCC1CCC1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332995	0	46	0.0	-15.74	380.67	4.43	-11.31
CC(=NNC1=CC=CC(C)=N1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332997	0	46	0.0	-20.66	388.06	4.28	-16.38
CC(=NNC(=O)C1=CNN=C1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332998	0	43	0.0	-25.25	373.15	0.18	-25.07
CC(=NNC1=NC=CC=C1N)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024332999	0	45	0.0	-21.10	378.30	1.79	-19.31
CC(=NNC1CCOC1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333000	0	45	0.0	-16.05	369.09	1.03	-15.02
CC(=NNC1=NCC(=O)N1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333001	0	42	0.0	-21.19	361.99	0.49	-20.70
CC(=NN1CCC1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333002	0	41	0.0	-15.23	335.87	1.68	-13.55
CC(=NNCC(F)(F)F)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333003	0	40	0.0	-15.10	352.71	1.97	-13.13
C#CCCCC(=O)NN=C(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333004	0	47	0.0	-26.67	404.44	3.54	-23.13
CC(=NN[C@@H]1CCC[C@H]1O)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333005	0	48	0.0	-17.29	390.41	0.21	-17.08
CCCC(=O)NN=C(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333006	0	45	0.0	-23.80	376.67	2.24	-21.56
CC(=NNCC1CCC1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333007	0	47	0.0	-14.67	381.62	3.61	-11.06
CC(=NNCC1CC(C)C1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333008	0	50	0.0	-14.62	401.84	4.22	-10.40
CC(=NN[C@@H]1COC[C@H]1O)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333009	0	46	0.0	-18.20	380.57	-2.35	-20.55
CC(=NN(C)C1=NC=CC=N1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333010	0	45	0.0	-20.59	380.52	5.65	-14.94
CCOCCNN=C(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333011	0	47	0.0	-15.90	388.84	1.60	-14.30
CC(=NN(C)C1=CN=CC=N1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333012	0	45	0.0	-20.09	378.98	3.04	-17.05
CC(=NN1CCC(O)CC1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333013	0	48	0.0	-15.70	388.31	1.02	-14.68
CC1=NC=CN=C1N=NC(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333014	0	45	0.0	-17.54	387.94	1.54	-16.00
CC(=NNC1=NC=CN=C1C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333014	1	45	0.0	-21.12	378.79	2.52	-18.60
CC(=NNC(=O)C1=CN=CN1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333015	0	43	0.0	-27.96	372.97	1.29	-26.67
CC(=NNC1=CC=CN=C1C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333016	0	46	0.0	-18.23	383.46	3.43	-14.80
CC(=NNC1CSC1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333017	0	42	0.0	-16.02	360.40	2.48	-13.54
CC(=NNC1=NCCS1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333018	0	42	0.0	-19.28	365.64	1.60	-17.68
CCCCNN=C(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333019	0	46	0.0	-14.93	376.88	3.09	-11.84
CC(=NNC1CCC1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333020	0	44	0.0	-14.72	361.51	2.94	-11.78
CCC(C)NN=C(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333021	0	46	0.0	-14.57	375.82	3.12	-11.45
CC(=NNCC(C)C1CC1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333022	0	50	0.0	-14.64	403.91	4.43	-10.21
CC1=NOC(C)=C1C=CC(=O)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333023	0	44	0.0	-20.32	384.16	4.51	-15.81
CS(=O)(=O)N(C1=CC=CC(C(=O)C=CC2=CC=CS2)=C1)S(C)(=O)=O	REAL300024333024	0	39	0.0	-17.26	352.24	4.54	-12.72
CS(=O)(=O)N(C1=CC=CC(C(=O)C=CC2=CC=CN=C2)=C1)S(C)(=O)=O	REAL300024333025	0	41	0.0	-19.21	356.93	3.69	-15.52
CS(=O)(=O)N(C1=CC=CC(C(=O)C=CC2=CC=CC=C2)=C1)S(C)(=O)=O	REAL300024333026	0	42	0.0	-18.40	362.06	5.45	-12.95
CS(=O)(=O)N(C1=CC=CC(C(=O)C=CC2=CC=C(O)C=C2)=C1)S(C)(=O)=O	REAL300024333027	0	43	0.0	-19.96	372.36	2.60	-17.36
CS(=O)(=O)N(C1=CC=CC(C(=O)C=CC2=CC=C(F)C=C2)=C1)S(C)(=O)=O	REAL300024333028	0	42	0.0	-19.03	368.46	5.52	-13.51
CS(=O)(=O)N(C1=CC=CC(C(=O)C=CC2=CC=CC=C2F)=C1)S(C)(=O)=O	REAL300024333029	0	42	0.0	-21.75	368.07	5.49	-16.26
CS(=O)(=O)N(C1=CC=CC(C(=O)C=CC2=CC=CC(O)=C2)=C1)S(C)(=O)=O	REAL300024333030	0	43	0.0	-20.69	373.58	2.59	-18.10
CC1=C(C=CC(=O)C2=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C2)SC=C1	REAL300024333031	0	42	0.0	-17.29	372.00	5.13	-12.16
CC1=CC=CC=C1C=CC(=O)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333032	0	45	0.0	-18.42	380.10	5.98	-12.44
CC1=CC=CC(C=CC(=O)C2=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C2)=C1	REAL300024333033	0	45	0.0	-18.44	383.95	6.11	-12.33
CS(=O)(=O)N(C1=CC=CC(C(=O)C=CC2=CSC=C2)=C1)S(C)(=O)=O	REAL300024333034	0	39	0.0	-18.05	352.60	4.43	-13.62
CC1=CC=C(C=CC(=O)C2=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C2)S1	REAL300024333035	0	42	0.0	-17.27	374.03	5.35	-11.92
CS(=O)(=O)N(C1=CC=CC(C(=O)C=CC2=CC=CC(F)=C2)=C1)S(C)(=O)=O	REAL300024333036	0	42	0.0	-20.27	368.96	5.51	-14.76
CC1=CC=C(C=CC(=O)C2=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C2)C=C1	REAL300024333037	0	45	0.0	-18.35	383.45	6.12	-12.23
CN1C=C(C=CC(=O)C2=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C2)C=N1	REAL300024333038	0	42	0.0	-21.46	366.19	3.32	-18.14
CN1N=CC=C1C=CC(=O)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333039	0	42	0.0	-20.91	363.81	3.07	-17.84
CC1=NNC(C)=C1C=CC(=O)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333040	0	45	0.0	-19.79	383.67	3.08	-16.71
CS(=O)(=O)N(C1=CC=CC(C(=O)C=CC2=CSN=N2)=C1)S(C)(=O)=O	REAL300024333041	0	37	0.0	-18.95	342.98	2.02	-16.93
CCN1C=CN=C1C=CC(=O)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333042	0	45	0.0	-19.25	387.36	4.96	-14.29
CCN1C=C(C=CC(=O)C2=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C2)C=N1	REAL300024333043	0	45	0.0	-21.23	387.21	4.19	-17.04
CN1C=C(C=CC(=O)C2=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C2)N=N1	REAL300024333044	0	41	0.0	-22.41	362.10	1.99	-20.42
CN1N=NC=C1C=CC(=O)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333045	0	41	0.0	-22.69	358.26	1.90	-20.79
CS(=O)(=O)N(C1=CC=CC(C(=O)C=CC2=CN=CS2)=C1)S(C)(=O)=O	REAL300024333046	0	38	0.0	-18.94	347.82	2.73	-16.21
CCN1N=CC=C1C=CC(=O)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333047	0	45	0.0	-20.51	385.76	3.95	-16.56
CS(=O)(=O)N(C1=CC=CC(C(=O)C=CC2=CNN=C2)=C1)S(C)(=O)=O	REAL300024333048	0	39	0.0	-21.08	343.26	2.01	-19.07
CC1=CC=CN=C1C=CC(=O)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333049	0	44	0.0	-18.11	377.57	4.44	-13.67
CN1C=CC(C=CC(=O)C2=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C2)=N1	REAL300024333050	0	42	0.0	-20.15	367.04	3.46	-16.69
CC1=NN(C)C=C1C=CC(=O)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333051	0	45	0.0	-23.47	386.45	3.87	-19.60
CC1=C(C=CC(=O)C2=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C2)C=NN1C	REAL300024333052	0	45	0.0	-21.33	384.32	3.75	-17.58
CS(=O)(=O)N(C1=CC=CC(C(=O)C=CC2=COC=N2)=C1)S(C)(=O)=O	REAL300024333053	0	38	0.0	-19.88	340.42	0.28	-19.60
CS(=O)(=O)N(C1=CC=CC(C(=O)C=CC2=CC=C(F)N=C2)=C1)S(C)(=O)=O	REAL300024333054	0	41	0.0	-20.55	363.35	3.63	-16.92
CN1C=NC(C=CC(=O)C2=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C2)=C1	REAL300024333055	0	42	0.0	-21.17	366.63	4.92	-16.25
CC1=C(C=CC(=O)C2=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C2)N(C)N=C1	REAL300024333056	0	45	0.0	-19.55	386.45	3.74	-15.81
CC1=NOC=C1C=CC(=O)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333057	0	41	0.0	-22.21	360.71	3.64	-18.57
CC1=NC(C)=C(C=CC(=O)C2=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C2)O1	REAL300024333058	0	44	0.0	-19.47	381.86	1.69	-17.78
CC1=CC(C=CC(=O)C2=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C2)=CS1	REAL300024333059	0	42	0.0	-18.04	373.96	5.23	-12.81
CC1=C(C=CC(=O)C2=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C2)C=CS1	REAL300024333060	0	42	0.0	-18.02	371.43	5.12	-12.90
CN1N=CC(C=CC(=O)C2=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C2)=N1	REAL300024333061	0	41	0.0	-19.49	362.60	1.82	-17.67
CCC1=NOC=C1C=CC(=O)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333062	0	44	0.0	-22.04	382.19	4.39	-17.65
CS(=O)(=O)N(C1=CC=CC(C(=O)C=CC2=CC=C(N)N=C2)=C1)S(C)(=O)=O	REAL300024333063	0	43	0.0	-20.00	371.75	2.42	-17.58
CS(=O)(=O)N(C1=CC=CC(C(=O)C=CC2=CN=CC=N2)=C1)S(C)(=O)=O	REAL300024333064	0	40	0.0	-19.09	354.78	2.07	-17.02
CC1=CC(C=CC(=O)C2=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C2)=NN1C	REAL300024333065	0	45	0.0	-20.04	386.40	3.92	-16.12
CC1=NN(C)C(C=CC(=O)C2=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C2)=C1	REAL300024333066	0	45	0.0	-21.09	385.96	3.67	-17.42
CS(=O)(=O)N(C1=CC=CC(C(=O)C=CC2=CNC(=O)C=C2)=C1)S(C)(=O)=O	REAL300024333067	0	42	0.0	-26.02	366.03	2.38	-23.64
CN1N=CN=C1C=CC(=O)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333068	0	41	0.0	-19.56	361.65	3.90	-15.66
CS(=O)(=O)N(C1=CC=CC(C(=O)C=CC2=CC=NS2)=C1)S(C)(=O)=O	REAL300024333069	0	38	0.0	-18.42	348.40	3.25	-15.17
CC1=C(C)NC(C=CC(=O)C2=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C2)=N1	REAL300024333070	0	45	0.0	-19.22	385.42	3.48	-15.74
CS(=O)(=O)N(C1=CC=CC(C(=O)C=CC2=CC(=O)NC=C2)=C1)S(C)(=O)=O	REAL300024333071	0	42	0.0	-30.42	366.94	2.38	-28.04
CS(=O)(=O)N(C1=CC=CC(C(=O)C=CC2=CC=NC(F)=C2)=C1)S(C)(=O)=O	REAL300024333072	0	41	0.0	-22.73	364.02	3.63	-19.10
CS(=O)(=O)N(C1=CC=CC(C(=O)C=CC2=CC=CC(F)=N2)=C1)S(C)(=O)=O	REAL300024333073	0	41	0.0	-18.76	365.94	3.86	-14.90
CN1C=NC=C1C=CC(=O)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333074	0	42	0.0	-21.11	363.11	4.59	-16.52
CCN1C=NC=C1C=CC(=O)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333075	0	45	0.0	-20.78	385.64	5.54	-15.24
CCN1N=CC(C=CC(=O)C2=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C2)=N1	REAL300024333076	0	44	0.0	-19.17	383.91	2.66	-16.51
CCN1C=C(C=CC(=O)C2=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C2)N=N1	REAL300024333077	0	44	0.0	-22.20	384.16	2.84	-19.36
CCN1C=NC(C=CC(=O)C2=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C2)=C1	REAL300024333078	0	45	0.0	-20.60	388.43	5.83	-14.77
CS(=O)(=O)N(C1=CC=CC(C(=O)C=CC2=CNN=N2)=C1)S(C)(=O)=O	REAL300024333079	0	38	0.0	-21.96	339.10	0.67	-21.29
CS(=O)(=O)N(C1=CC=CC(C(=O)C=CC2=NNN=C2)=C1)S(C)(=O)=O	REAL300024333079	1	38	0.0	-18.34	339.05	0.71	-17.63
CS(=O)(=O)N(C1=CC=CC(C(=O)C=CC2=CC=CN=N2)=C1)S(C)(=O)=O	REAL300024333080	0	40	0.0	-20.15	354.97	2.76	-17.39
CCN1C=CC(C=CC(=O)C2=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C2)=N1	REAL300024333081	0	45	0.0	-19.80	387.84	4.32	-15.48
CC1=C(C=CC(=O)C2=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C2)C=NO1	REAL300024333082	0	41	0.0	-19.84	360.65	3.86	-15.98
CNC(=S)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333083	0	42	0.0	-22.55	366.67	0.57	-21.98
CCNC(=S)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333084	0	45	0.0	-21.83	388.66	1.39	-20.44
CC(=O)NC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C(Br)=C1	REAL300024333085	0	33	0.0	-37.11	306.53	0.46	-36.65
CCC(=O)NC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C(Br)=C1	REAL300024333086	0	36	0.0	-36.79	326.69	1.34	-35.45
CSCC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333087	0	44	0.0	-20.79	386.02	0.58	-20.21
CC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333088	0	40	0.0	-18.88	342.87	-0.65	-19.53
CC(C)(C)C(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333089	0	49	0.0	-18.23	401.40	1.39	-16.84
CCCCC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333090	0	49	0.0	-18.51	406.46	1.70	-16.81
CS(=O)(=O)N(C1=CC=C(OCCNC(=O)C2CCC2)C=C1)S(C)(=O)=O	REAL300024333091	0	47	0.0	-18.34	390.19	1.43	-16.91
CCCC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333092	0	46	0.0	-18.37	384.96	0.92	-17.45
CCC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333093	0	43	0.0	-18.62	362.96	0.16	-18.46
CC(C)C(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333094	0	46	0.0	-18.24	383.01	0.83	-17.41
CC(C)CC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333095	0	49	0.0	-17.87	401.18	1.51	-16.36
CS(=O)(=O)N(C1=CC=C(OCCNC(=O)C2CC2)C=C1)S(C)(=O)=O	REAL300024333096	0	44	0.0	-18.50	373.48	0.93	-17.57
CC1CC1C(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333097	0	47	0.0	-18.35	395.35	1.60	-16.75
CCC(C)C(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333098	0	49	0.0	-18.12	401.13	1.48	-16.64
CC(C)=CC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333099	0	47	0.0	-17.65	392.93	1.47	-16.18
COCC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333100	0	44	0.0	-21.65	375.68	-0.48	-22.13
CCOCC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333101	0	47	0.0	-21.65	397.54	0.48	-21.17
CS(=O)(=O)N(C1=CC=C(OCCNC(=O)CC2CC2)C=C1)S(C)(=O)=O	REAL300024333102	0	47	0.0	-18.65	393.90	1.70	-16.95
COC(C)C(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333103	0	47	0.0	-21.40	394.67	0.28	-21.12
COC(C)C(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333104	0	47	0.0	-21.40	394.67	0.28	-21.12
C=CCCC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333105	0	47	0.0	-18.26	397.77	1.48	-16.78
COCCC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333106	0	47	0.0	-18.51	396.63	-0.77	-19.28
CC=C(C)C(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333107	0	47	0.0	-18.75	391.28	1.45	-17.30
CC1(C(=O)NCCOC2=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C2)CC1	REAL300024333108	0	47	0.0	-18.42	391.73	1.54	-16.88
CS(=O)(=O)N(C1=CC=C(OCCNC(=O)C2=CCC2)C=C1)S(C)(=O)=O	REAL300024333109	0	45	0.0	-19.30	384.46	1.50	-17.80
CC(C)(F)C(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333110	0	46	0.0	-17.71	390.28	0.82	-16.89
C[C@@H]1C[C@H]1C(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333111	0	47	0.0	-18.47	394.86	1.60	-16.87
C[C@H]1C[C@@H]1C(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333112	0	47	0.0	-18.38	394.86	1.60	-16.78
CS(=O)(=O)N(C1=CC=C(OCCNC(=O)C(F)F)C=C1)S(C)(=O)=O	REAL300024333113	0	40	0.0	-20.69	355.29	-0.38	-21.07
CS(=O)(=O)N(C1=CC=C(OCCNC(=O)C2(F)CC2)C=C1)S(C)(=O)=O	REAL300024333114	0	44	0.0	-17.11	379.54	0.99	-16.12
CCC(F)C(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333115	0	46	0.0	-18.98	390.73	0.96	-18.02
CS(=O)(=O)N(C1=CC=C(OCCNC(=O)C2CC2F)C=C1)S(C)(=O)=O	REAL300024333116	0	44	0.0	-17.62	380.77	1.02	-16.60
C[C@@H]1C[C@H]1C(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333117	0	47	0.0	-18.47	394.86	1.60	-16.87
CO[C@H](C)C(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333118	0	47	0.0	-21.42	395.97	0.22	-21.20
CS(=O)(=O)N(C1=CC=C(OCCNC=C(C#N)C#N)C=C1)S(C)(=O)=O	REAL300024333119	0	41	0.0	-26.99	372.57	1.78	-25.21
CCOCC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333120	0	47	0.0	-21.65	397.54	0.48	-21.17
CC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333121	0	40	0.0	-18.88	342.87	-0.65	-19.53
CC(C)=CC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333122	0	47	0.0	-17.65	392.93	1.47	-16.18
CC(C)CC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333123	0	49	0.0	-17.87	401.18	1.51	-16.36
CSCC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333124	0	44	0.0	-20.79	386.02	0.58	-20.21
CS(=O)(=O)N(C1=CC=C(OCCNC(=O)C(F)F)C=C1)S(C)(=O)=O	REAL300024333125	0	40	0.0	-20.69	355.29	-0.38	-21.07
CCC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333126	0	43	0.0	-18.62	362.96	0.16	-18.46
CS(=O)(=O)N(C1=CC=C(OCCNC(=O)C2CC2)C=C1)S(C)(=O)=O	REAL300024333127	0	44	0.0	-18.50	373.48	0.93	-17.57
COCC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333128	0	44	0.0	-21.65	375.68	-0.48	-22.13
CC1CC1C(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333129	0	47	0.0	-18.35	395.35	1.60	-16.75
CS(=O)(=O)N(C1=CC=C(OCCNC(=O)C2CCC2)C=C1)S(C)(=O)=O	REAL300024333130	0	47	0.0	-18.34	390.19	1.43	-16.91
CCCC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333131	0	46	0.0	-18.37	384.96	0.92	-17.45
CC(C)(C)C(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333132	0	49	0.0	-18.23	401.40	1.39	-16.84
CCCCC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333133	0	49	0.0	-18.51	406.46	1.70	-16.81
CC(C)C(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333134	0	46	0.0	-18.24	383.01	0.83	-17.41
CCC(C)C(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333135	0	49	0.0	-18.12	401.13	1.48	-16.64
CS(=O)(=O)N(C1=CC=C(OCCNC(=O)CC2CC2)C=C1)S(C)(=O)=O	REAL300024333136	0	47	0.0	-18.65	393.90	1.70	-16.95
COC(C)C(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333137	0	47	0.0	-21.40	394.67	0.28	-21.12
COC(C)C(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333138	0	47	0.0	-21.40	394.67	0.28	-21.12
C=CCCC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333139	0	47	0.0	-18.26	397.77	1.48	-16.78
COCCC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333140	0	47	0.0	-18.51	396.63	-0.77	-19.28
CN(C)CC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333141	1	48	0.0	-18.82	396.46	-1.52	-20.34
CC(C#N)C(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333142	0	44	0.0	-25.44	381.94	0.45	-24.99
CC=C(C)C(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333143	0	47	0.0	-18.75	391.28	1.45	-17.30
CC1(C(=O)NCCOC2=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C2)CC1	REAL300024333144	0	47	0.0	-18.42	391.73	1.54	-16.88
CC(O)C(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333145	0	44	0.0	-19.44	374.25	-1.97	-21.41
CS(=O)(=O)N(C1=CC=C(OCCNC(=O)C2CCO2)C=C1)S(C)(=O)=O	REAL300024333146	0	45	0.0	-21.71	381.55	-0.33	-22.04
CS(=O)(=O)N(C1=CC=C(OCCNC(=O)CO)C=C1)S(C)(=O)=O	REAL300024333147	0	41	0.0	-23.16	353.93	-2.76	-25.92
CC(C)(F)C(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333148	0	46	0.0	-17.71	390.28	0.82	-16.89
CS(=O)(=O)N(C1=CC=C(OCCNC(=O)CC#N)C=C1)S(C)(=O)=O	REAL300024333149	0	41	0.0	-27.14	362.92	-0.17	-27.31
C#CCCC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333150	0	45	0.0	-18.62	390.24	1.44	-17.18
CC#CC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333151	0	42	0.0	-20.33	370.59	0.78	-19.55
C[C@@H]1C[C@H]1C(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333152	0	47	0.0	-18.47	394.86	1.60	-16.87
C[C@H](O)C(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333153	0	44	0.0	-19.39	373.76	-1.97	-21.36
C[C@@H](O)C(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333154	0	44	0.0	-19.70	373.76	-1.97	-21.67
CC(C)(O)C(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333155	0	47	0.0	-17.69	393.44	-2.41	-20.10
C[C@H]1C[C@@H]1C(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333156	0	47	0.0	-18.38	394.86	1.60	-16.78
C=C(CO)C(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333157	0	45	0.0	-20.07	383.43	-2.51	-22.58
CON=CC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333158	0	44	0.0	-21.52	385.92	-1.26	-22.78
C=CC(O)C(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333159	0	45	0.0	-19.14	387.47	-1.43	-20.57
CS(=O)(=O)N(C1=CC=C(OCCNC(=O)C2(F)CC2)C=C1)S(C)(=O)=O	REAL300024333160	0	44	0.0	-17.11	379.54	0.99	-16.12
CC=C(F)C(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333161	0	44	0.0	-16.76	382.00	0.83	-15.93
CC(CF)C(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333162	0	46	0.0	-17.65	388.49	0.97	-16.68
CC=CC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333163	0	44	0.0	-18.62	377.03	0.77	-17.85
CCC=CC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333164	0	47	0.0	-18.41	397.62	1.53	-16.88
CS(=O)(=O)N(C1=CC=C(OCCNC(=O)C(N)=O)C=C1)S(C)(=O)=O	REAL300024333165	0	41	0.0	-18.53	358.31	-4.50	-23.03
C=C1CC1C(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333166	0	45	0.0	-18.68	387.05	1.50	-17.18
C=C(CC)C(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333167	0	47	0.0	-18.29	395.04	1.43	-16.86
CS(=O)(=O)N(C1=CC=C(OCCNC(=O)C=CCO)C=C1)S(C)(=O)=O	REAL300024333168	0	45	0.0	-21.65	388.13	-2.59	-24.24
CCC(F)C(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333169	0	46	0.0	-18.98	390.73	0.96	-18.02
CS(=O)(=O)N(C1=CC=C(OCCNC(=O)C2CC2F)C=C1)S(C)(=O)=O	REAL300024333170	0	44	0.0	-17.62	380.77	1.02	-16.60
C[C@@H]1C[C@H]1C(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333171	0	47	0.0	-18.47	394.86	1.60	-16.87
CS(=O)(=O)N(C1=CC=C(OCCNC(=O)C2(O)CC2)C=C1)S(C)(=O)=O	REAL300024333172	0	45	0.0	-18.25	381.79	-2.13	-20.38
CO[C@H](C)C(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333173	0	47	0.0	-21.42	395.97	0.22	-21.20
CS(=O)(=O)N(C1=CC=C(OCCNC(=O)CN=[N+]=[N-])C=C1)S(C)(=O)=O	REAL300024333174	0	42	0.0	-21.15	372.57	-3.89	-25.04
CS(=O)(=O)N(C1=CC=C(OCCNC2=CC=CC=N2)C=C1)S(C)(=O)=O	REAL300024333175	0	44	0.0	-17.13	371.68	2.05	-15.08
CS(=O)(=O)N(C1=CC=C(OCCNC2=NC=CC=N2)C=C1)S(C)(=O)=O	REAL300024333176	0	43	0.0	-17.86	368.54	2.70	-15.16
CS(=O)(=O)N(C1=CC=C(OCCNC2=CN=CC=N2)C=C1)S(C)(=O)=O	REAL300024333177	0	43	0.0	-18.10	366.97	0.18	-17.92
CN1N=NN=C1NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333178	0	43	0.0	-21.44	370.60	1.49	-19.95
CS(=O)(=O)N(C1=CC=C(OCCNC2=CN=CC=N2)C=C1)S(C)(=O)=O	REAL300024333179	0	43	0.0	-18.10	366.97	0.18	-17.92
CC1=CC=NC(NCCOC2=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C2)=C1	REAL300024333180	1	47	0.0	-17.11	393.68	2.71	-14.40
CC1=CC=CC(NCCOC2=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C2)=N1	REAL300024333181	0	47	0.0	-17.37	393.79	2.66	-14.71
CS(=O)(=O)N(C1=CC=C(OCCNC2=NC=CS2)C=C1)S(C)(=O)=O	REAL300024333182	0	41	0.0	-15.99	363.71	1.27	-14.72
CS(=O)(=O)N(C1=CC=C(OCCNC2=NC=CC=N2)C=C1)S(C)(=O)=O	REAL300024333183	0	43	0.0	-17.86	368.54	2.70	-15.16
CS(=O)(=O)N(C1=CC=C(OCCNC2=CC=NC=N2)C=C1)S(C)(=O)=O	REAL300024333186	0	43	0.0	-18.29	367.16	1.87	-16.42
CS(=O)(=O)N(C1=CC=C(OCCNC2=CC=CN=N2)C=C1)S(C)(=O)=O	REAL300024333188	0	43	0.0	-21.06	367.25	1.01	-20.05
CN1N=NN=C1NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333190	0	43	0.0	-21.44	370.60	1.49	-19.95
CC1=NN=C(NCCOC2=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C2)O1	REAL300024333191	0	43	0.0	-20.06	371.59	-3.41	-23.47
CN1N=CN=C1NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333192	0	44	0.0	-19.34	375.56	3.79	-15.55
CC1=CC=CN=C1NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333193	0	47	0.0	-16.11	391.59	3.10	-13.01
CS(=O)(=O)N(C1=CC=C(OCCNC2=CN=CC=N2)C=C1)S(C)(=O)=O	REAL300024333195	0	43	0.0	-18.10	366.97	0.18	-17.92
CS(=O)(=O)N(C1=CC=C(OCCNC2=NC=CC=N2)C=C1)S(C)(=O)=O	REAL300024333196	0	43	0.0	-17.86	368.54	2.70	-15.16
CS(=O)(=O)N(C1=CC=C(OCCNC2=CN=CC=N2)C=C1)S(C)(=O)=O	REAL300024333197	0	43	0.0	-18.10	366.97	0.18	-17.92
CS(=O)(=O)N(C1=CC=C(OCCNC2=NC=CS2)C=C1)S(C)(=O)=O	REAL300024333198	0	41	0.0	-15.99	363.71	1.27	-14.72
CC1=NN=C(NCCOC2=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C2)O1	REAL300024333199	0	43	0.0	-20.06	371.59	-3.41	-23.47
CS(=O)(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333200	0	41	0.0	-22.12	360.17	-2.85	-24.97
COC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333201	0	41	0.0	-18.24	353.49	-1.23	-19.47
CN(C)C(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333202	0	45	0.0	-19.88	374.75	0.23	-19.65
CCNC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333203	0	45	0.0	-19.44	379.01	-1.16	-20.60
CCCOC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333204	0	47	0.0	-17.67	396.85	0.48	-17.19
C#CCOC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333205	0	43	0.0	-18.76	381.64	0.23	-18.53
CCN(C)C(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333206	0	48	0.0	-19.89	397.13	1.23	-18.66
CS(=O)(=O)N(C1=CC=C(OCCNC(=O)OCCF)C=C1)S(C)(=O)=O	REAL300024333207	0	44	0.0	-19.42	381.94	-0.16	-19.58
CC(C)NC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333208	0	48	0.0	-19.45	399.63	-0.34	-19.79
CC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333209	0	40	0.0	-18.88	342.87	-0.65	-19.53
CCC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333210	0	43	0.0	-18.62	362.96	0.16	-18.46
CS(=O)(=O)N(C1=CC=C(OCCNC(=O)OC2CC2)C=C1)S(C)(=O)=O	REAL300024333211	0	45	0.0	-18.25	384.90	0.47	-17.78
CS(=O)(=O)N(C1=CC=C(OCCNC(=O)N2CCC2)C=C1)S(C)(=O)=O	REAL300024333212	0	46	0.0	-21.20	386.44	0.52	-20.68
CCCNC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333213	0	48	0.0	-19.36	401.01	-0.40	-19.76
CC1=CC(C2=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C2)=NC2=CC=CC=C12	REAL300024333214	0	44	0.0	-19.05	366.40	5.28	-13.77
CS(=O)(=O)N(C1=CC=C(OCCNCC2=NC=CN2)C=C1)S(C)(=O)=O	REAL300024333224	1	45	0.0	-20.61	381.39	-0.53	-21.14
CS(=O)(=O)N(C1=CC=C(OCCNCC2=NNC=C2)C=C1)S(C)(=O)=O	REAL300024333227	1	45	0.0	-19.04	381.87	-0.88	-19.92
CS(=O)(=O)N(C1=CC=C(OCCNCC2=COC=N2)C=C1)S(C)(=O)=O	REAL300024333238	0	44	0.0	-17.70	376.16	-2.60	-20.30
CS(=O)(=O)N(C1=CC=C(OCCNCC2=NC=CO2)C=C1)S(C)(=O)=O	REAL300024333239	0	44	0.0	-18.09	376.94	-2.53	-20.62
CS(=O)(=O)N(C1=CC=C(OCCNCC2=NOC=C2)C=C1)S(C)(=O)=O	REAL300024333241	0	44	0.0	-19.44	376.45	0.06	-19.38
CS(=O)(=O)N(C1=CC=C(OCCNS(N)(=O)=O)C=C1)S(C)(=O)=O	REAL300024333244	0	40	0.0	-21.81	353.55	-5.46	-27.27
CNC(=O)C(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333245	0	44	0.0	-18.51	380.74	-3.00	-21.51
CS(=O)(=O)N(C1=CC=C(OCCNC(=O)CCO)C=C1)S(C)(=O)=O	REAL300024333246	0	44	0.0	-18.99	374.88	-3.17	-22.16
CCN(C)C(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333247	0	48	0.0	-19.89	397.13	1.23	-18.66
CNC(=O)C(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333248	0	44	0.0	-18.51	380.74	-3.00	-21.51
C=CCNC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333249	0	46	0.0	-19.19	391.82	-0.62	-19.81
C#CCNC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333250	0	44	0.0	-19.23	385.28	-0.66	-19.89
CC(C)NC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333251	0	48	0.0	-19.45	399.63	-0.34	-19.79
CCNC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333252	0	45	0.0	-19.44	379.01	-1.16	-20.60
CS(=O)(=O)N(C1=CC=C(OCCNC(=O)NC2CC2)C=C1)S(C)(=O)=O	REAL300024333253	0	46	0.0	-19.20	389.62	-0.28	-19.48
CCCNC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333254	0	48	0.0	-19.36	401.01	-0.40	-19.76
CCNC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333255	0	45	0.0	-19.44	379.01	-1.16	-20.60
C#CCNC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333256	0	44	0.0	-19.23	385.28	-0.66	-19.89
CS(=O)(=O)N(C1=CC=C(OCCNC(=O)NC2CC2)C=C1)S(C)(=O)=O	REAL300024333257	0	46	0.0	-19.20	389.62	-0.28	-19.48
CC(C)NC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333258	0	48	0.0	-19.45	399.63	-0.34	-19.79
C=CCNC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333259	0	46	0.0	-19.19	391.82	-0.62	-19.81
CCCNC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333260	0	48	0.0	-19.36	401.01	-0.40	-19.76
CCNC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333261	0	45	0.0	-19.44	379.01	-1.16	-20.60
CONC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333262	0	43	0.0	-22.79	371.02	-0.96	-23.75
C#CCNC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333263	0	44	0.0	-19.23	385.28	-0.66	-19.89
CS(=O)(=O)N(C1=CC=C(OCCNC(=O)NCCF)C=C1)S(C)(=O)=O	REAL300024333264	0	45	0.0	-21.08	386.09	-1.02	-22.10
CS(=O)(=O)N(C1=CC=C(OCCNC(=O)N2CCC2)C=C1)S(C)(=O)=O	REAL300024333265	0	46	0.0	-21.20	386.44	0.52	-20.68
CC(C)C(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333266	0	46	0.0	-18.24	383.01	0.83	-17.41
CS(=O)(=O)N(C1=CC=C(OCCNC(=O)C2CCC2)C=C1)S(C)(=O)=O	REAL300024333267	0	47	0.0	-18.34	390.19	1.43	-16.91
CC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333268	0	40	0.0	-18.88	342.87	-0.65	-19.53
COCC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333269	0	44	0.0	-21.65	375.68	-0.48	-22.13
CCOCC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333270	0	47	0.0	-21.65	397.54	0.48	-21.17
CC1CC1C(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333271	0	47	0.0	-18.35	395.35	1.60	-16.75
CCCCC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333272	0	49	0.0	-18.51	406.46	1.70	-16.81
CCCC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333273	0	46	0.0	-18.37	384.96	0.92	-17.45
CCC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333274	0	43	0.0	-18.62	362.96	0.16	-18.46
CS(=O)(=O)N(C1=CC=C(OCCNC(=O)C2CC2)C=C1)S(C)(=O)=O	REAL300024333275	0	44	0.0	-18.50	373.48	0.93	-17.57
CC(C)CC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333276	0	49	0.0	-17.87	401.18	1.51	-16.36
CCC(C)C(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333277	0	49	0.0	-18.12	401.13	1.48	-16.64
CSCC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333278	0	44	0.0	-20.79	386.02	0.58	-20.21
CC(C)(C)C(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333279	0	49	0.0	-18.23	401.40	1.39	-16.84
CS(=O)(=O)N(C1=CC=C(OCCNC(=O)CC2CC2)C=C1)S(C)(=O)=O	REAL300024333280	0	47	0.0	-18.65	393.90	1.70	-16.95
COC(C)C(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333281	0	47	0.0	-21.40	394.67	0.28	-21.12
COC(C)C(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333282	0	47	0.0	-21.40	394.67	0.28	-21.12
C=CCCC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333283	0	47	0.0	-18.26	397.77	1.48	-16.78
COCCC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333284	0	47	0.0	-18.51	396.63	-0.77	-19.28
CC(C#N)C(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333285	0	44	0.0	-25.44	381.94	0.45	-24.99
CC1(C(=O)NCCOC2=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C2)CC1	REAL300024333286	0	47	0.0	-18.42	391.73	1.54	-16.88
CS(=O)(=O)N(C1=CC=C(OCCNC(=O)C2CCO2)C=C1)S(C)(=O)=O	REAL300024333287	0	45	0.0	-21.71	381.55	-0.33	-22.04
CS(=O)(=O)N(C1=CC=C(OCCNC(=O)C(F)F)C=C1)S(C)(=O)=O	REAL300024333288	0	40	0.0	-20.69	355.29	-0.38	-21.07
C[C@@H]1C[C@H]1C(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333289	0	47	0.0	-18.47	394.86	1.60	-16.87
C[C@H]1C[C@@H]1C(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333290	0	47	0.0	-18.38	394.86	1.60	-16.78
C#CCCC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333291	0	45	0.0	-18.62	390.24	1.44	-17.18
CON=CC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333292	0	44	0.0	-21.52	385.92	-1.26	-22.78
CS(=O)(=O)N(C1=CC=C(OCCNC(=O)C2(F)CC2)C=C1)S(C)(=O)=O	REAL300024333293	0	44	0.0	-17.11	379.54	0.99	-16.12
C=C1CC1C(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333294	0	45	0.0	-18.68	387.05	1.50	-17.18
CC(CF)C(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333295	0	46	0.0	-17.65	388.49	0.97	-16.68
CCC(F)C(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333296	0	46	0.0	-18.98	390.73	0.96	-18.02
CS(=O)(=O)N(C1=CC=C(OCCNC(=O)C2CC2F)C=C1)S(C)(=O)=O	REAL300024333297	0	44	0.0	-17.62	380.77	1.02	-16.60
C[C@@H]1C[C@H]1C(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333298	0	47	0.0	-18.47	394.86	1.60	-16.87
CO[C@H](C)C(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333299	0	47	0.0	-21.42	395.97	0.22	-21.20
CS(=O)(=O)N(C1=CC=C(OCCNC(=O)NC2CC2)C=C1)S(C)(=O)=O	REAL300024333300	0	46	0.0	-19.20	389.62	-0.28	-19.48
CNC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333301	0	42	0.0	-20.03	357.52	-2.01	-22.04
CS(=O)(=O)N(C1=CC=C(OCCNC(N)=O)C=C1)S(C)(=O)=O	REAL300024333302	0	39	0.0	-19.75	336.09	-3.45	-23.20
CCNC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333303	0	45	0.0	-19.44	379.01	-1.16	-20.60
CC(C)NC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333304	0	48	0.0	-19.45	399.63	-0.34	-19.79
C#CCNC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333305	0	44	0.0	-19.23	385.28	-0.66	-19.89
C#CCNC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333306	0	44	0.0	-19.23	385.28	-0.66	-19.89
CS(=O)(=O)N(C1=CC=C(OCCNC(=O)NCCO)C=C1)S(C)(=O)=O	REAL300024333307	0	46	0.0	-21.13	390.85	-4.49	-25.62
CS(=O)(=O)N(C1=CC=C(OCCNC(=O)NC2CC2)C=C1)S(C)(=O)=O	REAL300024333308	0	46	0.0	-19.20	389.62	-0.28	-19.48
CCCNC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333309	0	48	0.0	-19.36	401.01	-0.40	-19.76
C#CCNC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333310	0	44	0.0	-19.23	385.28	-0.66	-19.89
C=CCNC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333311	0	46	0.0	-19.19	391.82	-0.62	-19.81
CC(C)NC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333312	0	48	0.0	-19.45	399.63	-0.34	-19.79
CCNC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333313	0	45	0.0	-19.44	379.01	-1.16	-20.60
CS(=O)(=O)N(C1=CC=C(OCCNC(=O)N2CCC2)C=C1)S(C)(=O)=O	REAL300024333314	0	46	0.0	-21.20	386.44	0.52	-20.68
CCN(C)C(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333315	0	48	0.0	-19.89	397.13	1.23	-18.66
CON(C)C(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333316	0	46	0.0	-18.78	391.02	0.04	-18.74
CONC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333317	0	43	0.0	-22.79	371.02	-0.96	-23.75
CS(=O)(=O)N(C1=CC=C(OCCNC(=O)NCCF)C=C1)S(C)(=O)=O	REAL300024333318	0	45	0.0	-21.08	386.09	-1.02	-22.10
C#CCNC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333319	0	44	0.0	-19.23	385.28	-0.66	-19.89
CCONC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333320	0	46	0.0	-22.58	392.88	-0.02	-22.60
C#CCNC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024333321	0	44	0.0	-19.23	385.28	-0.66	-19.89
CC(NCC1=CC=CN=C1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333344	1	46	0.0	-14.71	383.81	2.21	-12.50
CC(NCC1=COC=C1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333360	1	44	0.0	-14.33	369.72	1.96	-12.37
CC(C)NC(=O)CNC(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333361	1	50	0.0	-17.58	409.77	0.36	-17.22
CC1=NOC(CNC(C)C2=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C2)=C1	REAL300024333364	0	46	0.0	-15.86	385.91	2.18	-13.68
CC(NCCS(C)(=O)=O)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333365	1	46	0.0	-22.49	393.07	-1.50	-23.99
CC1=CC=CC(CNC(C)C2=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C2)=N1	REAL300024333373	0	49	0.0	-14.71	405.45	2.77	-11.94
CC(NCC1=NC=CS1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333374	0	43	0.0	-15.22	373.27	1.13	-14.09
CC(NCC1=NC=CN1C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333394	0	47	0.0	-16.52	389.00	2.38	-14.14
CCCNC(=O)CNC(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333395	1	50	0.0	-17.63	410.15	0.31	-17.32
CC(NC(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1)C1=CC=CN=C1	REAL300024333397	1	49	0.0	-14.24	402.21	3.16	-11.08
CC(NCC1=NC=NN1C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333398	0	46	0.0	-19.88	383.78	2.24	-17.64
CC1=CC(CNC(C)C2=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C2)=NN1	REAL300024333409	1	47	0.0	-17.01	390.34	0.95	-16.06
CC1=NNC(CNC(C)C2=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C2)=C1	REAL300024333409	1	47	0.0	-16.17	390.34	0.95	-15.22
CC(NCC1=CC=CO1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333419	0	44	0.0	-14.17	369.24	2.12	-12.05
CC(NC(C)C1=CC=CC=N1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333424	1	49	0.0	-13.41	402.51	3.19	-10.22
CC(NCC1=CN(C)N=C1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333433	1	47	0.0	-16.06	391.68	1.78	-14.28
CC1=C(CNC(C)C2=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C2)C=CO1	REAL300024333437	1	47	0.0	-13.65	390.73	2.73	-10.92
CC(NCC1=NN=CN1C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333442	0	46	0.0	-23.61	384.55	3.07	-20.54
CC(NC1CCCNC1=O)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333451	1	48	0.0	-16.54	385.32	-0.39	-16.93
CC1=CC=C(CNC(C)C2=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C2)C=N1	REAL300024333452	1	49	0.0	-14.91	405.42	2.82	-12.09
CC(NCC(O)C(F)F)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333455	1	44	0.0	-15.66	372.81	-1.26	-16.92
CC(NCC1=CSC=C1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333465	1	44	0.0	-12.79	378.96	2.93	-9.86
CC(NCC1=NOC=C1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333472	0	43	0.0	-15.85	364.36	1.29	-14.56
CC(NCC1=NNC=C1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333479	0	44	0.0	-17.35	368.91	0.38	-16.97
CC(NCC1=NN=CO1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333527	0	42	0.0	-18.31	359.00	-3.81	-22.12
CC1=CC=NC(NC(C)C2=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C2)=C1	REAL300024333535	0	46	0.0	-14.90	379.66	3.81	-11.09
CC1=CC=CC(NC(C)C2=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C2)=C1	REAL300024333536	0	47	0.0	-13.71	385.01	4.71	-9.00
COC1=CC=CC(NC(C)C2=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C2)=C1	REAL300024333537	0	48	0.0	-15.22	392.97	3.34	-11.88
CC(NC1=CC=C(F)C=C1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333538	0	44	0.0	-14.32	369.40	4.11	-10.21
CC1=CC=C(NC(C)C2=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C2)C=C1	REAL300024333539	0	47	0.0	-13.18	384.88	4.72	-8.46
CC1=CC=C(NC(C)C2=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C2)C(C)=N1	REAL300024333542	0	49	0.0	-15.67	398.34	3.65	-12.02
CC1=CC=C(NC(C)C2=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C2)C=N1	REAL300024333554	0	46	0.0	-15.40	380.09	2.87	-12.53
CC1=CN=CC(CNC(C)C2=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C2)=C1	REAL300024333563	1	49	0.0	-14.28	405.13	2.84	-11.44
CC(NCC1=COC=N1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333568	0	43	0.0	-17.93	363.92	-1.41	-19.34
CCNC(=O)C(C)NC(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333569	1	50	0.0	-17.27	405.94	0.19	-17.08
CC1=CC=C(NC(C)C2=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C2)C=C1	REAL300024333570	0	47	0.0	-13.18	384.88	4.72	-8.46
CC(NC1CC(=O)N(C)C1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333575	1	48	0.0	-18.39	392.03	1.03	-17.36
COC1=CC=C(NC(C)C2=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C2)C=N1	REAL300024333577	0	47	0.0	-16.02	390.13	0.72	-15.30
CC(NCC1(C)OCCO1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333578	1	49	0.0	-14.30	396.39	0.72	-13.58
CC(NCC1=NN(C)C=N1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333581	0	46	0.0	-18.53	386.52	2.30	-16.23
CC1=C(NC(C)C2=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C2)C=NN1C	REAL300024333589	0	47	0.0	-17.01	387.19	2.39	-14.62
CC(N[C@H](C)C(=O)N(C)C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333592	1	50	0.0	-18.43	401.72	1.15	-17.28
C=C(Cl)CNC(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333595	0	41	0.0	-12.37	359.01	2.04	-10.33
CCC1=CC=CC(NC(C)C2=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C2)=C1	REAL300024333596	0	50	0.0	-13.53	405.88	5.48	-8.05
CCN1C=C(NC(C)C2=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C2)C=N1	REAL300024333598	0	47	0.0	-16.05	390.53	2.76	-13.29
CC(N[C@@H](C)C1=CC=CC=N1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333619	1	49	0.0	-14.11	402.45	3.08	-11.03
CC(NCC(F)(F)CO)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333623	0	44	0.0	-15.78	372.63	-1.31	-17.09
CCN(C)C(=O)CNC(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333646	1	50	0.0	-18.00	406.74	1.63	-16.37
C=CC(COC)NC(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333648	1	48	0.0	-12.41	389.90	1.20	-11.21
CC1=NNC=C1CNC(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333661	1	47	0.0	-15.41	390.55	1.03	-14.38
CC(NCC1(F)CCC1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333662	1	47	0.0	-14.51	383.43	3.17	-11.34
CC(NC1CC2=CC=CC=C21)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333663	1	48	0.0	-15.08	394.55	4.53	-10.55
CC(NCCF)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333669	1	40	0.0	-12.61	336.02	1.11	-11.50
CC(N[C@@H](C)C(=O)N(C)C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333671	1	50	0.0	-18.37	400.84	1.17	-17.20
COCC(CO)NC(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333673	1	48	0.0	-15.19	388.80	-1.05	-16.24
CC(N[C@@H]1COC[C@H]1O)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333698	1	46	0.0	-16.39	370.83	-2.99	-19.38
COCC(COC)NC(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333700	1	51	0.0	-13.24	410.34	1.28	-11.96
CC1=CC(CNC(C)C2=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C2)=CC=N1	REAL300024333710	1	49	0.0	-14.60	405.33	2.83	-11.77
CC(NCC1=NN(C)N=C1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333713	0	46	0.0	-17.91	385.88	0.19	-17.72
CC1=CC=NC=C1CNC(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333716	1	49	0.0	-14.25	401.84	2.72	-11.53
CC(NC1CCN2C=CN=C12)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333717	0	48	0.0	-20.42	391.20	2.86	-17.56
CCC(NC(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1)C(F)F	REAL300024333719	0	46	0.0	-12.94	379.95	2.87	-10.07
CC(NCC(C)(F)F)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333726	0	43	0.0	-14.64	362.32	1.97	-12.67
COC[C@H](CO)NC(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333741	1	48	0.0	-15.43	388.83	-1.05	-16.48
CC(NCC1=CN=NN1C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333743	0	46	0.0	-18.93	383.61	0.34	-18.59
CC1=C(CNC(C)C2=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C2)OC=C1	REAL300024333746	0	47	0.0	-13.96	390.68	2.73	-11.23
CC(NC1CCCC1(F)F)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333750	0	47	0.0	-13.31	380.37	3.19	-10.12
CO[C@@H]1COC[C@@H]1NC(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333755	1	49	0.0	-14.11	394.30	-0.09	-14.20
CC1=NC=C(CNC(C)C2=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C2)O1	REAL300024333760	0	46	0.0	-16.46	386.39	-0.42	-16.88
CC(N[C@@H]1CCCC[C@H]1F)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333763	1	50	0.0	-12.13	396.42	3.68	-8.45
CC(N[C@@H](C)C(F)(F)F)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333778	0	43	0.0	-13.18	365.19	2.04	-11.14
CO[C@@H]1COC[C@H]1NC(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333784	1	49	0.0	-14.41	393.37	-0.65	-15.06
CC(NCC1(C#N)CCC1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333785	0	48	0.0	-15.98	394.39	3.17	-12.81
CC(NCC1=CN(C)N=N1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333797	0	46	0.0	-18.97	385.79	0.50	-18.47
CC(NC(C)C(F)(F)F)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333830	0	43	0.0	-13.22	364.67	2.06	-11.16
C=C[C@H](CO)NC(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333837	1	45	0.0	-12.92	370.61	-1.00	-13.92
CC(NCC1=CC=NS1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333843	0	43	0.0	-14.62	374.19	1.80	-12.82
CC(N[C@H]1CCNC1=O)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333844	1	45	0.0	-17.65	363.49	-1.37	-19.02
CC1=CC=C(CNC(C)C2=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C2)O1	REAL300024333846	0	47	0.0	-14.03	391.55	2.92	-11.11
CC(NCC1=CC=CNC1=O)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333852	1	47	0.0	-21.73	392.50	0.89	-20.84
CC(N[C@@H]1CCCC[C@@H]1F)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333854	1	50	0.0	-12.34	394.38	3.61	-8.73
CC1=NC=CC=C1CNC(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333855	1	49	0.0	-14.45	401.11	2.95	-11.50
CC(NCC(C)(C)F)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333858	1	46	0.0	-12.66	375.56	2.64	-10.02
CC(N[C@@H]1COC[C@@H]1O)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333860	1	46	0.0	-14.19	369.94	-2.65	-16.84
CC(NC(C)C(F)F)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333879	0	43	0.0	-13.73	359.44	1.82	-11.91
CC1=CC(NC(C)C2=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C2)=CN=C1C	REAL300024333883	0	49	0.0	-16.09	396.72	3.42	-12.67
C#CC1(NC(C)C2=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C2)CC1	REAL300024333885	1	43	0.0	-14.39	363.80	2.65	-11.74
CC1=NON=C1CNC(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333893	0	45	0.0	-18.92	381.20	0.56	-18.36
CC(NCC1=NC=CC=N1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333898	0	45	0.0	-16.17	378.96	1.25	-14.92
CC(NCC1(C#N)CC1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333899	0	45	0.0	-16.51	378.95	2.83	-13.68
CC(NCC1(C#N)CCCC1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333900	0	51	0.0	-18.44	410.79	3.86	-14.58
CC1=NC(CNC(C)C2=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C2)=CO1	REAL300024333929	0	46	0.0	-15.82	386.39	-0.66	-16.48
CC(NCC1(F)CC1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333934	1	44	0.0	-13.15	367.01	2.68	-10.47
CC(F)CNC(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333935	1	43	0.0	-13.12	357.19	1.85	-11.27
CCO[C@@H]1C[C@H]1NC(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333936	1	48	0.0	-13.76	395.69	1.71	-12.05
CC(NCC=CCl)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333937	1	41	0.0	-12.96	358.26	2.15	-10.81
CC(NCC1=CN(C)C=N1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333945	0	47	0.0	-17.03	390.95	3.25	-13.78
CC(NCC1=CN=CC=N1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333956	0	45	0.0	-16.90	378.21	0.30	-16.60
CC(NC(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1)C1=NOC=C1	REAL300024333957	0	46	0.0	-16.04	381.95	2.00	-14.04
CC(N[C@H]1CC(=O)N(C)C1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333960	1	48	0.0	-18.58	389.06	0.88	-17.70
CC(NCC1=CN=CS1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333962	1	43	0.0	-13.96	373.64	1.21	-12.75
CC(N[C@@H]1CC(=O)N(C)C1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333964	1	48	0.0	-21.19	391.79	1.03	-20.16
CC(NCC1=CN=NN1C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333968	0	46	0.0	-18.93	383.61	0.34	-18.59
CC(NCC(=O)N(C)O)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333972	0	45	0.0	-17.64	378.35	-1.90	-19.54
COCC(F)CNC(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333978	1	47	0.0	-13.72	389.18	1.02	-12.70
CC(N[C@@H]1COC[C@@H]1F)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333983	0	45	0.0	-13.12	365.55	0.57	-12.55
C=C1COCC1NC(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333984	1	46	0.0	-12.82	373.81	0.79	-12.03
CC(NC1CCNC1=O)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024333989	1	45	0.0	-17.69	369.72	-1.33	-19.02
CC(NCC1=NSC=C1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024334001	0	43	0.0	-16.69	373.59	1.55	-15.14
CC(NCC1=CC=C(C#N)O1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024334003	0	45	0.0	-16.14	391.39	2.65	-13.49
C=CCN1C=C(NC(C)C2=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C2)C=N1	REAL300024334005	0	48	0.0	-15.94	402.83	3.31	-12.63
CC(N[C@@H]1C[C@@H]1F)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024334006	0	41	0.0	-13.66	345.86	1.94	-11.72
CC(NCC1=CSN=C1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024334009	0	43	0.0	-14.91	373.49	1.63	-13.28
CC1=NOC(CNC(C)C2=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C2)C1	REAL300024334010	1	48	0.0	-19.47	394.82	1.38	-18.09
CC1=CON=C1CNC(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024334011	0	46	0.0	-15.19	384.34	1.94	-13.25
CC(=O)N1CC(NC(C)C2=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C2)C1	REAL300024334017	1	48	0.0	-19.35	397.30	0.81	-18.54
CC(NC1CN(C(N)=O)C1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024334024	1	47	0.0	-21.50	389.95	-1.78	-23.28
COCC(COC)NC(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024334025	1	51	0.0	-13.24	410.34	1.28	-11.96
CC1=CN=CC(CNC(C)C2=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C2)=N1	REAL300024334032	0	48	0.0	-15.51	399.84	0.92	-14.59
C#CCOC(=O)CNC(C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024334045	0	45	0.0	-16.37	390.66	2.66	-13.71
CC1=CC(CNC(C)C2=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C2)=CO1	REAL300024334048	1	47	0.0	-13.63	391.49	2.78	-10.85
CC(NCC1=CN=CN=C1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024334051	0	45	0.0	-15.99	378.64	1.99	-14.00
CC1=COC(CNC(C)C2=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C2)=C1	REAL300024334053	0	47	0.0	-13.88	392.00	2.80	-11.08
CC(N[C@@H](C)C(F)F)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024334062	0	43	0.0	-13.19	358.60	1.81	-11.38
CC(N[C@H](C)C(F)F)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024334073	0	43	0.0	-14.59	359.58	1.89	-12.70
CC(N[C@H](CO)CF)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024334077	0	44	0.0	-16.26	362.02	-1.53	-17.79
CC(NCC1=NC=CN1C)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024334078	0	47	0.0	-16.52	389.00	2.38	-14.14
CS(=O)(=O)N(C1=CC=C(OCCNCC2=NNC=C2)C=C1)S(C)(=O)=O	REAL300024334097	1	45	0.0	-19.04	381.87	-0.88	-19.92
CS(=O)(=O)N(C1=CC=C(OCCNCC2=COC=N2)C=C1)S(C)(=O)=O	REAL300024334127	0	44	0.0	-17.70	376.16	-2.60	-20.30
CS(=O)(=O)N(C1=CC=C(OCCNCC2=NC=CO2)C=C1)S(C)(=O)=O	REAL300024334138	0	44	0.0	-18.09	376.94	-2.53	-20.62
CS(=O)(=O)N(C1=CC=C(OCCNCC2=NOC=C2)C=C1)S(C)(=O)=O	REAL300024334140	0	44	0.0	-19.44	376.45	0.06	-19.38
CS(=O)(=O)N(C1=CC=C(OCCNCC2=CC=NO2)C=C1)S(C)(=O)=O	REAL300024334147	1	44	0.0	-18.83	376.93	0.31	-18.52
CC(=O)NC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C(Br)=C1	REAL300024334151	0	33	0.0	-37.11	306.53	0.46	-36.65
CCC(=O)NC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C(Br)=C1	REAL300024334152	0	36	0.0	-36.79	326.69	1.34	-35.45
CC(=O)NC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C(Br)=C1	REAL300024334153	0	33	0.0	-37.11	306.53	0.46	-36.65
CS(=O)(=O)N(C1=CC=C(OCCN2C(=O)CNC2=O)C=C1)S(C)(=O)=O	REAL300024334155	0	42	0.0	-20.50	363.23	-1.05	-21.55
CS(=O)(=O)N(C1=CC=C(OCCN2C(=O)CNC2=O)C=C1)S(C)(=O)=O	REAL300024334156	0	42	0.0	-20.50	363.23	-1.05	-21.55
CS(=O)(=O)N(C1=CC=C(OCCN2C(=O)CNC2=O)C=C1)S(C)(=O)=O	REAL300024334157	0	42	0.0	-20.50	363.23	-1.05	-21.55
CC(NCC(F)(F)CN)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024334194	0	45	0.0	-15.41	376.82	-1.01	-16.42
CC(N[C@@H]1CNOC1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024334249	0	44	0.0	-13.85	354.98	-1.46	-15.31
CC(N[C@H]1CNOC1)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024334250	0	44	0.0	-13.76	359.90	-1.34	-15.10
CC(NCC1=CC=CC=C1N)C1=CC=CC(N(S(C)(=O)=O)S(C)(=O)=O)=C1	REAL300024334270	1	49	0.0	-12.76	400.78	1.90	-10.86
C=CC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024334306	0	41	0.0	-18.87	354.81	-0.12	-18.99
CC=CC(=O)NCCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1	REAL300024334307	0	44	0.0	-18.62	377.03	0.77	-17.85
CC([NH2+]CCOC1=CC=C(N(S(C)(=O)=O)S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300024334308	0	44	0.0	-49.09	368.83	1.76	-47.33
CS(=O)(=O)N(C1=CC=C(OCCNC(=O)NN)C=C1)S(C)(=O)=O	REAL300024334311	0	41	0.0	-19.75	350.02	-3.19	-22.94
CS(=O)(=O)N(C1=CC=C(OCCNCCC#N)C=C1)S(C)(=O)=O	REAL300024334312	0	42	0.0	-18.65	362.90	0.23	-18.42
CS(=O)(=O)N(C1=CC=C(OCCNCC[N+](=O)[O-])C=C1)S(C)(=O)=O	REAL300024334321	1	43	0.0	-17.28	370.65	0.13	-17.15