data.csv

X	SMILES	REFIDX_R	REFIDX_G	REFIDX_B	Molecular.Weight	Molecular.Weight.Except.Hydrogens	Maximum.Partial.Charge	Minimum.Partial.Charge	Number.of.Labute.Accessible.Surface.Area	Number.of.Topological.Polar.Surface.Area	Number.of.Aromatic.Carbocycles	Number.of.Aromatic.Heterocycles	Number.of.H.bond.Acceptor	Number.of.Lipinski.H.bond.Acceptor	Number.of.Heteroatoms
0	BrC1=CC=C2C(=C1)C1=CC(Br)=CC=C1C1=C2N=C(C2=CC=C3C=C(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)C=CC3=C2)S1	2.1072	2.6202	3.371	905.764489	892.204	0.124173233	-0.235356944	315.5074562	25.78	8	2	0	0	8
1	BrC1=CC=C2C(=C1)C1=CC(Br)=CC=C1C1=C2N=C(C2=CC=C3C=C(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC=CC=C45)C=CC3=C2)S1	2.105	2.6109	3.3427	749.9434648	732.396	0.124173233	-0.235356954	287.772361	25.78	8	2	0	0	6
2	BrC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=CC=C3C=C(C4=NC5=C(S4)C4=CC=C(Br)C=C4C4=C5C=CC(Br)=C4)C=CC3=C2)S1	2.0985	2.5979	3.3137	827.8539769	812.3	0.124173233	-0.235356944	301.6399086	25.78	8	2	0	0	7
3	BrC1=CC=C2C(=C1)C1=CC(Br)=CC=C1C1=C2N=C(C2=CC=C3C=C(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)C=CC3=C2)S1	2.0884	2.5949	3.3305	1001.736761	986.204	0.124173233	-0.235356944	326.2960372	25.78	8	2	0	0	8
4	ClC1=CC=C2C(=C1)C1=CC(Cl)=CC=C1C1=C2N=C(C2=CC=C3C=C(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)C=CC3=C2)S1	2.0929	2.5942	3.3183	817.8655201	803.302	0.124173233	-0.235356944	308.3788934	25.78	8	2	0	0	8
5	BrC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=CC=C3C=C(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(I)=CC=C45)C=CC3=C2)S1	2.1034	2.5922	3.259	797.9296007	779.396	0.124173233	-0.235356944	293.1666515	25.78	8	2	0	0	6
6	ClC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=CC=C3C=C(C4=NC5=C(S4)C4=CC=C(Br)C=C4C4=C5C=CC(Br)=C4)C=CC3=C2)S1	2.0941	2.5895	3.2948	783.9044925	767.849	0.124173233	-0.235356944	298.0756272	25.78	8	2	0	0	7
7	ClC1=CC2=C(C=C1)C1=C(SC(C3=CC4=CC=C(C5=NC6=C(S5)C5=CC=CC=C5C5=CC(Br)=CC=C56)C=C4C=C3)=N1)C1=CC=C(Cl)C=C21	2.0875	2.5783	3.2751	739.9550081	723.398	0.124173233	-0.235356944	294.5113458	25.78	8	2	0	0	7
8	BrC1=CC2=C(C=C1)C1=C(SC(C3=CC4=CC=C(C5=NC6=C(S5)C5=CC=CC=C5C5=CC(I)=CC=C56)C=C4C=C3)=N1)C1=CC=C(Br)C=C21	2.0857	2.5776	3.2739	875.8401128	859.3	0.124173233	-0.235356944	307.0341991	25.78	8	2	0	0	7
9	ClC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=CC=C3C=C(C4=NC5=C(S4)C4=CC=C(Cl)C=C4C4=C5C=CC(Cl)=C4)C=CC3=C2)S1	2.0874	2.5775	3.2703	696.0055236	678.947	0.124173233	-0.23535694	290.9470644	25.78	8	2	0	0	7
10	ClC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=CC=C3C=C(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(Br)=CC=C45)C=CC3=C2)S1	2.0923	2.5748	3.2406	705.9939804	687.945	0.124173233	-0.235356944	284.2080796	25.78	8	2	0	0	6
11	ClC1=CC=C2C(=C1)C1=CC(Cl)=CC=C1C1=C2N=C(C2=CC=C3C=C(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC=CC=C45)C=CC3=C2)S1	2.0854	2.574	3.2662	662.044496	643.494	0.124173233	-0.235356954	280.6437982	25.78	8	2	0	0	6
12	C1=CC=C2C(=C1)C1=C(C=CC=C1)C1=C2N=C(C2=CC=C3C=C(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)C=CC3=C2)S1	2.0883	2.5692	3.2354	594.1224407	572.588	0.124173233	-0.235356954	260.0372658	25.78	8	2	0	0	4
13	BrC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=CC=C3C=C(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)C=CC3=C2)S1	2.0854	2.5663	3.2364	672.0329528	652.492	0.124173233	-0.235356954	273.9048134	25.78	8	2	0	0	5
14	IC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=CC=C3C=C(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)C=CC3=C2)S1	2.0815	2.5627	3.2306	720.0190887	699.492	0.124173233	-0.235356954	279.2991039	25.78	8	2	0	0	5
15	ClC1=CC=C2C(=C1)C1=CC(Cl)=CC=C1C1=C2N=C(C2=CC=C3C=C(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)C=CC3=C2)S1	2.069	2.5595	3.2592	913.8377919	897.302	0.124173233	-0.235356944	319.1674745	25.78	8	2	0	0	8
16	BrC1=CC=C2C(=C1)C1=CC(Br)=CC=C1C1=C2N=C(C2=CC=C3C=C(C4=NC5=C(O4)C4=C(C=CC=C4)C4=CC=CC=C45)C=CC3=C2)S1	2.08	2.5592	3.2035	733.9663085	716.328	0.226884234	-0.435408783	282.926327	38.92	8	2	0	0	6
17	ClC1=CC2=C(C=C1)C1=C(SC(C3=CC4=CC=C(C5=NC6=C(S5)C5=CC=CC=C5C5=CC(I)=CC=C56)C=C4C=C3)=N1)C1=CC=C(Cl)C=C21	2.0749	2.5587	3.2381	787.941144	770.398	0.124173233	-0.235356944	299.9056363	25.78	8	2	0	0	7
18	BrC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=CC=C3C=C(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(Br)=CC=C45)C=CC3=C2)S1	2.0846	2.5556	3.1912	749.9434648	732.396	0.124173233	-0.235356944	287.772361	25.78	8	2	0	0	6
19	ClC1=CC=C2C(=C1)C1=CC(Cl)=CC=C1C1=C2N=C(C2=CC=C3C=C(C4=NC5=C(S4)C4=C(C=C(Cl)C=C4)C4=CC(Cl)=CC=C45)C=CC3=C2)S1	2.0692	2.5504	3.2287	729.9665513	714.4	0.124173233	-0.23535694	301.2503307	25.78	8	2	0	0	8
20	BrC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=CC=C3C=C(C4=NC5=C(S4)C4=CC=C(I)C=C4C4=C5C=CC(I)=C4)C=CC3=C2)S1	2.0667	2.5481	3.2229	923.8262487	906.3	0.124173233	-0.235356944	312.4284896	25.78	8	2	0	0	7
21	ClC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=CC=C3C=C(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)C=CC3=C2)S1	2.0739	2.5442	3.1897	628.0834684	608.041	0.124173233	-0.235356954	270.340532	25.78	8	2	0	0	5
22	ClC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=CC=C3C=C(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(I)=CC=C45)C=CC3=C2)S1	2.0733	2.5412	3.1708	753.9801163	734.945	0.124173233	-0.235356944	289.6023701	25.78	8	2	0	0	6
23	IC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=CC=C3C=C(C4=NC5=C(S4)C4=CC=C(I)C=C4C4=C5C=CC(I)=C4)C=CC3=C2)S1	2.0606	2.5403	3.2091	971.8123846	953.3	0.124173233	-0.235356944	317.8227801	25.78	8	2	0	0	7
24	IC1=CC=C2C(=C1)C1=CC(I)=CC=C1C1=C2N=C(C2=CC=C3C=C(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC=CC=C45)C=CC3=C2)S1	2.0578	2.5337	3.2001	845.9157366	826.396	0.124173233	-0.235356954	298.560942	25.78	8	2	0	0	6
25	IC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=CC=C3C=C(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(I)=CC=C45)C=CC3=C2)S1	2.0695	2.5318	3.1401	845.9157366	826.396	0.124173233	-0.235356944	298.560942	25.78	8	2	0	0	6
26	IC1=CC=C2C(=C1)C1=CC(I)=CC=C1C1=C2N=C(C2=CC=C3C=C(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)C=CC3=C2)S1	2.0489	2.5305	3.2107	1097.709033	1080.204	0.124173233	-0.235356944	337.0846182	25.78	8	2	0	0	8
27	ClC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=CC=C3C=C(C4=NC5=C(S4)C4=CC=C(I)C=C4C4=C5C=CC(I)=C4)C=CC3=C2)S1	2.057	2.5303	3.1869	879.8767643	861.849	0.124173233	-0.235356944	308.8642082	25.78	8	2	0	0	7
28	BrC1=CC=C2N=C(C3=CC=C4C=C(C5=NC6=C(S5)C5=C(C=C(Br)C=C5)C5=CC(Br)=CC=C56)C=CC4=C3)SC2=C1	2.0766	2.5292	3.0874	727.8226768	716.212	0.124173233	-0.236038339	256.2765795	25.78	6	2	0	0	7
29	ClC1=CC=C2C(=C1)C1=C(C=CC(Cl)=C1)C1=C2N=C(C2=CC3=CC=C(C4=NC5=CC=C(Br)C=C5S4)C=C3C=C2)S1	2.0754	2.528	3.0856	639.9237079	627.31	0.124173233	-0.236038339	249.1480168	25.78	6	2	0	0	7
30	ClC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=CC=C3C=C(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(Cl)=CC=C45)C=CC3=C2)S1	2.0644	2.5262	3.1517	662.044496	643.494	0.124173233	-0.23535694	280.6437982	25.78	8	2	0	0	6
31	BrC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=CC=C3C=C(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)C=CC3=C2)S1	2.0677	2.5253	3.1147	656.0557964	636.424	0.226884234	-0.435408783	269.0587794	38.92	8	2	0	0	5
32	ClC1=CC=C2C(=C1)C1=CC(Cl)=CC=C1C1=C2N=C(C2=CC=C3C=C(C4=NC5=C(O4)C4=C(C=CC=C4)C4=CC=CC=C45)C=CC3=C2)S1	2.0601	2.5237	3.1363	646.0673396	627.426	0.226884234	-0.435408783	275.7977642	38.92	8	2	0	0	6
33	IC1=CC=C2C(=C1)C1=CC(I)=CC=C1C1=C2N=C(C2=CC=C3C=C(C4=NC5=C(O4)C4=C(C=CC=C4)C4=CC=CC=C45)C=CC3=C2)S1	2.0548	2.5227	3.143	829.9385803	810.328	0.226884234	-0.435408783	293.714908	38.92	8	2	0	0	6
34	C1=CC2=C(C=C1)C1=C(OC(C3=CC=C4C=C(C5=NC6=C(S5)C5=C(C=CC=C5)C5=CC=CC=C56)C=CC4=C3)=N1)C1=CC=CC=C21	2.0599	2.5126	3.0947	578.1452843	556.52	0.226884234	-0.435408783	255.1912318	38.92	8	2	0	0	4
35	ClC1=CC=C2N=C(C3=CC=C4C=C(C5=NC6=C(S5)C5=C(C=C(Br)C=C5)C5=CC(Br)=CC=C56)C=CC4=C3)SC2=C1	2.0644	2.506	3.043	683.8731924	671.761	0.124173233	-0.236037892	252.7122981	25.78	6	2	0	0	7
36	BrC1=CC2=C(C=C1)N=C(C1=CC3=CC=C(C4=NC5=C(S4)C4=CC=CC=C4C4=CC(Br)=CC=C45)C=C3C=C1)S2	2.0697	2.5055	3.0246	649.9121647	636.308	0.124173233	-0.236038339	242.4090319	25.78	6	2	0	0	6
37	ClC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=CC=C3C=C(C4=NC5=C(C=C(Br)C=C5)S4)C=CC3=C2)S1	2.0684	2.5055	3.0285	605.9626803	591.857	0.124173233	-0.236038339	238.8447505	25.78	6	2	0	0	6
38	ClC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=CC=C3C=C(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)C=CC3=C2)S1	2.057	2.5054	3.0757	612.106312	591.973	0.226884234	-0.435408783	265.494498	38.92	8	2	0	0	5
39	BrC1=CC=C2SC(C3=CC=C4C=C(C5=NC6=C(S5)C5=C(C=C(Br)C=C5)C5=CC(Br)=CC=C56)C=CC4=C3)=NC2=C1	2.0673	2.4979	3.0086	727.8226768	716.212	0.124173233	-0.235997984	256.2765795	25.78	6	2	0	0	7
40	BrC1=CC=C2N=C(C3=CC=C4C=C(C5=NC6=C(S5)C5=CC=CC=C5C5=C6C=CC=C5)C=CC4=C3)SC2=C1	2.0604	2.4972	3.0283	572.0016526	556.404	0.124173233	-0.236038339	228.5414843	25.78	6	2	0	0	5
41	ClC1=CC=C2N=C(C3=CC=C4C=C(C5=NC6=C(S5)C5=CC=CC=C5C5=C6C=CC=C5)C=CC4=C3)SC2=C1	2.0594	2.4934	3.0179	528.0521682	511.953	0.124173233	-0.236037892	224.9772029	25.78	6	2	0	0	5
42	IC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=CC=C3C=C(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)C=CC3=C2)S1	2.0476	2.4929	3.0574	704.0419323	683.424	0.226884234	-0.435408783	274.4530699	38.92	8	2	0	0	5
43	BrC1=CC=C2C(=C1)C1=CC(Br)=CC=C1C1=C2N=C(C2=CC=C3C=C(C4=NC5=C(C=CC=C5)S4)C=CC3=C2)S1	2.0643	2.4901	2.9882	649.9121647	636.308	0.124173233	-0.236039716	242.4090319	25.78	6	2	0	0	6
44	C1=CC=C2C(=C1)C1=C(C=CC=C1)C1=C2N=C(C2=CC=C3C=C(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)C=CC3=C2)O1	2.05	2.4894	3.021	562.1681279	540.452	0.226884234	-0.435408783	250.3451977	52.06	8	2	0	0	4
45	BrC1=CC=C2C(=C1)C1=C(C=CC(Br)=C1)C1=C2N=C(C2=CC3=CC=C(C4=NC5=CC=C(I)C=C5S4)C=C3C=C2)S1	2.0495	2.488	3.0221	775.8088127	763.212	0.124173233	-0.236038426	261.67087	25.78	6	2	0	0	7
46	BrC1=CC=C2N=C(C3=CC=C4C=C(C5=NC6=C(S5)C5=C(C=C(I)C=C5)C5=CC(I)=CC=C56)C=CC4=C3)SC2=C1	2.0479	2.4876	3.0207	823.7949486	810.212	0.124173233	-0.236038339	267.0651605	25.78	6	2	0	0	7
47	ClC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=CC=C3C=C(C4=NC5=C(C=C(I)C(I)=C5)S4)C=CC3=C2)S1	2.0504	2.4848	3.0069	779.8454642	765.761	0.124173233	-0.235999297	263.5008792	25.78	6	2	0	0	7
48	ClC1=CC=C2SC(C3=CC=C4C=C(C5=NC6=C(S5)C5=C(C=C(Br)C=C5)C5=CC(Br)=CC=C56)C=CC4=C3)=NC2=C1	2.0589	2.4843	2.9866	683.8731924	671.761	0.124173233	-0.235984514	252.7122981	25.78	6	2	0	0	7
49	BrC1=CC2=C(C=C1)N=C(C1=CC3=CC=C(C4=NC5=C(S4)C4=CC=CC=C4C4=CC(I)=CC=C45)C=C3C=C1)S2	2.0553	2.4842	2.9896	697.8983006	683.308	0.124173233	-0.236038339	247.8033224	25.78	6	2	0	0	6
50	BrC1=CC2=C(C=C1)SC(C1=CC3=CC=C(C4=NC5=C(S4)C4=CC=CC=C4C4=CC(Br)=CC=C45)C=C3C=C1)=N2	2.0633	2.48	2.9589	649.9121647	636.308	0.124173233	-0.235997984	242.4090319	25.78	6	2	0	0	6
51	ClC1=CC=C2C(=C1)C1=CC(Cl)=CC=C1C1=C2N=C(C2=CC=C3C=C(C4=NC5=C(C=CC=C5)S4)C=CC3=C2)S1	2.0562	2.4771	2.967	562.0131959	547.406	0.124173233	-0.236039716	235.2804691	25.78	6	2	0	0	6
52	ClC1=CC=C2C(=C1)C1=C(C=CC(Cl)=C1)C1=C2N=C(C2=CC3=CC=C(C4=NC5=CC=C(I)C=C5S4)C=C3C=C2)S1	2.0423	2.4765	3.0029	687.9098438	674.31	0.124173233	-0.236038426	254.5423073	25.78	6	2	0	0	7
53	BrC1=CC=C2SC(C3=CC=C4C=C(C5=NC6=C(S5)C5=CC=CC=C5C5=C6C=CC=C5)C=CC4=C3)=NC2=C1	2.0559	2.475	2.9679	572.0016526	556.404	0.124173233	-0.235997984	228.5414843	25.78	6	2	0	0	5
54	BrC1=CC2=C(C=C1)SC(C1=CC3=CC=C(C4=NC5=C(S4)C4=CC=CC=C4C4=CC(I)=CC=C45)C=C3C=C1)=N2	2.0537	2.467	2.9381	697.8983006	683.308	0.124173233	-0.235997984	247.8033224	25.78	6	2	0	0	6
55	ClC1=CC2=C(C=C1)N=C(C1=CC3=CC=C(C4=NC5=C(S4)C4=CC=CC=C4C4=CC(Br)=CC=C45)C=C3C=C1)S2	2.0469	2.4642	2.9511	605.9626803	591.857	0.124173233	-0.236037892	238.8447505	25.78	6	2	0	0	6
56	ClC1=CC2=C(C=C1)N=C(C1=CC3=CC=C(C4=NC5=C(S4)C4=CC=CC=C4C4=CC(Cl)=CC=C45)C=C3C=C1)S2	2.0458	2.4642	2.9541	562.0131959	547.406	0.124173233	-0.236037892	235.2804691	25.78	6	2	0	0	6
57	BrC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=CC=C3C=C(C4=NC5=C(C=CC=C5)S4)C=CC3=C2)S1	2.0557	2.4637	2.924	572.0016526	556.404	0.124173233	-0.236039716	228.5414843	25.78	6	2	0	0	5
58	BrC1=CC=C2SC(C3=CC=C4C=C(C5=NC6=C(O5)C5=CC=CC=C5C5=C6C=CC=C5)C=CC4=C3)=NC2=C1	2.0527	2.4632	2.9189	556.0244963	540.336	0.226884234	-0.435408783	223.6954503	38.92	6	2	0	0	5
59	ClC1=CC=C2N=C(C3=CC=C4C=C(C5=NC6=C(S5)C5=C(C=C(I)C=C5)C5=CC(I)=CC=C56)C=CC4=C3)SC2=C1	2.0349	2.4632	2.9752	779.8454642	765.761	0.124173233	-0.236037892	263.5008792	25.78	6	2	0	0	7
60	IC1=CC=C2N=C(C3=CC=C4C=C(C5=NC6=C(S5)C5=CC=CC=C5C5=C6C=CC=C5)C=CC4=C3)SC2=C1	2.0361	2.4615	2.9736	619.9877885	603.404	0.124173233	-0.236038426	233.9357748	25.78	6	2	0	0	5
61	ClC1=CC=C2C(=C1)C1=C(C=CC(Cl)=C1)C1=C2N=C(C2=CC3=CC=C(C4=NC5=CC(Br)=CC=C5S4)C=C3C=C2)S1	2.0438	2.4578	2.9403	639.9237079	627.31	0.124173233	-0.235997984	249.1480168	25.78	6	2	0	0	7
62	IC1=CC2=C(C=C1I)SC(C1=CC=C3C=C(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)C=CC3=C1)=N2	2.0313	2.4577	2.976	745.8844365	730.308	0.124173233	-0.235999297	253.1976129	25.78	6	2	0	0	6
63	ClC1=CC=C2SC(C3=CC=C4C=C(C5=NC6=C(S5)C5=CC=CC=C5C5=C6C=CC=C5)C=CC4=C3)=NC2=C1	2.0447	2.4566	2.9381	528.0521682	511.953	0.124173233	-0.235984514	224.9772029	25.78	6	2	0	0	5
64	BrC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=CC=C3C=C(C4=NC5=C(C=C(I)C=C5)S4)C=CC3=C2)S1	2.0367	2.455	2.9459	697.8983006	683.308	0.124173233	-0.236038426	247.8033224	25.78	6	2	0	0	6
65	ClC1=CC2=C(C=C1)N=C(C1=CC3=CC=C(C4=NC5=C(S4)C4=CC=CC=C4C4=CC(I)=CC=C45)C=C3C=C1)S2	2.0386	2.4539	2.9353	653.9488162	638.857	0.124173233	-0.236037892	244.239041	25.78	6	2	0	0	6
66	ClC1=CC=C2N=C(C3=CC=C4C=C(C5=NC6=C(O5)C5=CC=CC=C5C5=C6C=CC=C5)C=CC4=C3)SC2=C1	2.0388	2.4512	2.9154	512.0750118	495.885	0.226884234	-0.435408783	220.1311689	38.92	6	2	0	0	5
67	ClC1=CC=C2SC(C3=CC=C4C=C(C5=NC6=C(S5)C5=C(C=C(Cl)C=C5)C5=CC(Cl)=CC=C56)C=CC4=C3)=NC2=C1	2.0393	2.4512	2.9309	595.9742235	582.859	0.124173233	-0.235984514	245.5837354	25.78	6	2	0	0	7
68	ClC1=CC=C2N=C(C3=CC=C4C=C(C5=NC6=C(S5)C5=C(C=C(Cl)C=C5)C5=CC(Cl)=CC=C56)C=CC4=C3)SC2=C1	2.0325	2.4508	2.9476	595.9742235	582.859	0.124173233	-0.236037892	245.5837354	25.78	6	2	0	0	7
69	ClC1=CC2=C(C=C1)SC(C1=CC3=CC=C(C4=NC5=C(S4)C4=CC=CC=C4C4=CC(Br)=CC=C45)C=C3C=C1)=N2	2.0455	2.4505	2.9112	605.9626803	591.857	0.124173233	-0.235984514	238.8447505	25.78	6	2	0	0	6
70	ClC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=CC=C3C=C(C4=NC5=C(C=C(I)C=C5)S4)C=CC3=C2)S1	2.0329	2.4503	2.9407	653.9488162	638.857	0.124173233	-0.236038426	244.239041	25.78	6	2	0	0	6
71	BrC1=CC=C2C(=C1)C1=CC(Br)=CC=C1C1=C2N=C(C2=CC=C3C=C(C4=NC5=C(C=C(I)C(I)=C5)S4)C=CC3=C2)S1	2.025	2.4481	2.9582	901.7054606	890.116	0.124173233	-0.235999297	280.9327081	25.78	6	2	0	0	8
72	BrC1=CC=C2N=C(C3=CC=C4C=C(C5=NC6=C(O5)C5=CC=CC=C5C5=C6C=CC=C5)C=CC4=C3)SC2=C1	2.0353	2.4468	2.9112	556.0244963	540.336	0.226884234	-0.435408783	223.6954503	38.92	6	2	0	0	5
73	ClC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=CC=C3C=C(C4=NC5=C(C=CC(Br)=C5)S4)C=CC3=C2)S1	2.0426	2.4465	2.9064	605.9626803	591.857	0.124173233	-0.235997984	238.8447505	25.78	6	2	0	0	6
74	BrC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=CC=C3C=C(C4=NC5=C(C=CC=C5)O4)C=CC3=C2)S1	2.0468	2.4462	2.8874	556.0244963	540.336	0.226827976	-0.436094309	223.6954503	38.92	6	2	0	0	5
75	IC1=CC2=C(C=C1)N=C(C1=CC3=CC=C(C4=NC5=C(S4)C4=CC=CC=C4C4=CC(I)=CC=C45)C=C3C=C1)S2	2.0293	2.4461	2.9323	745.8844365	730.308	0.124173233	-0.236038426	253.1976129	25.78	6	2	0	0	6
76	ClC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=CC=C3C=C(C4=NC5=C(C=CC=C5)S4)C=CC3=C2)S1	2.0441	2.4459	2.8979	528.0521682	511.953	0.124173233	-0.236039716	224.9772029	25.78	6	2	0	0	5
77	IC1=CC=C2N=C(C3=CC=C4C=C(C5=NC6=C(S5)C5=C(C=C(I)C=C5)C5=CC(I)=CC=C56)C=CC4=C3)SC2=C1	2.0197	2.4446	2.9535	871.7810845	857.212	0.124173233	-0.236038426	272.4594511	25.78	6	2	0	0	7
78	ClC1=CC=C2C(=C1)C1=CC(Cl)=CC=C1C1=C2N=C(C2=CC=C3C=C(C4=NC5=C(C=C(I)C(I)=C5)S4)C=CC3=C2)S1	2.0219	2.4434	2.9501	813.8064918	801.214	0.124173233	-0.235999297	273.8041454	25.78	6	2	0	0	8
79	BrC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=CC=C3C=C(C4=NC5=C(C=C(I)C(I)=C5)S4)C=CC3=C2)S1	2.0254	2.4393	2.9254	823.7949486	810.212	0.124173233	-0.235999297	267.0651605	25.78	6	2	0	0	7
80	IC1=CC=C2C(=C1)C1=CC(I)=CC=C1C1=C2N=C(C2=CC=C3C=C(C4=NC5=C(C=CC=C5)S4)C=CC3=C2)S1	2.0289	2.4387	2.9092	745.8844365	730.308	0.124173233	-0.236039716	253.1976129	25.78	6	2	0	0	6
81	C1=CC=C2OC(C3=CC=C4C=C(C5=NC6=C(S5)C5=CC=CC=C5C5=C6C=CC=C5)C=CC4=C3)=NC2=C1	2.0385	2.4385	2.8878	478.1139842	460.432	0.226827976	-0.436094309	209.8279027	38.92	6	2	0	0	4
82	C1=CC=C2SC(C3=CC=C4C=C(C5=NC6=C(S5)C5=CC=CC=C5C5=C6C=CC=C5)C=CC4=C3)=NC2=C1	2.0367	2.4379	2.8961	494.0911406	476.5	0.124173233	-0.236039716	214.6739367	25.78	6	2	0	0	4
83	ClC1=CC2=C(C=C1)SC(C1=CC3=CC=C(C4=NC5=C(S4)C4=CC=CC=C4C4=CC(Cl)=CC=C45)C=C3C=C1)=N2	2.0348	2.4344	2.8884	562.0131959	547.406	0.124173233	-0.235984514	235.2804691	25.78	6	2	0	0	6
84	ClC1=CC2=C(C=C1)SC(C1=CC3=CC=C(C4=NC5=C(S4)C4=CC=CC=C4C4=CC(I)=CC=C45)C=C3C=C1)=N2	2.0325	2.4322	2.8824	653.9488162	638.857	0.124173233	-0.235984514	244.239041	25.78	6	2	0	0	6
85	BrC1=CC=C2C(=C1)C1=CC(Br)=CC=C1C1=C2N=C(C2=CC=C3C=C(C4=NC5=C(C=CC=C5)O4)C=CC3=C2)S1	2.0317	2.4322	2.8842	633.9350083	620.24	0.226827976	-0.436094309	237.5629979	38.92	6	2	0	0	6
86	ClC1=CC=C2C(=C1)C1=CC(Cl)=CC=C1C1=C2N=C(C2=CC=C3C=C(C4=NC5=C(C=CC=C5)O4)C=CC3=C2)S1	2.0302	2.4307	2.8828	546.0360395	531.338	0.226827976	-0.436094309	230.4344351	38.92	6	2	0	0	6
87	IC1=CC=C2N=C(C3=CC=C4C=C(C5=NC6=C(O5)C5=CC=CC=C5C5=C6C=CC=C5)C=CC4=C3)SC2=C1	2.022	2.4306	2.8907	604.0106322	587.336	0.226884234	-0.435408783	229.0897408	38.92	6	2	0	0	5
88	BrC1=CC=C2SC(C3=CC=C4C=C(C5=NC6=C(S5)C5=C(C=C(I)C=C5)C5=CC(I)=CC=C56)C=CC4=C3)=NC2=C1	2.0204	2.4263	2.8944	823.7949486	810.212	0.124173233	-0.235997984	267.0651605	25.78	6	2	0	0	7
89	ClC1=CC=C2SC(C3=CC=C4C=C(C5=NC6=C(S5)C5=C(C=C(I)C=C5)C5=CC(I)=CC=C56)C=CC4=C3)=NC2=C1	2.0188	2.4243	2.8922	779.8454642	765.761	0.124173233	-0.235984514	263.5008792	25.78	6	2	0	0	7
90	ClC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=CC=C3C=C(C4=NC5=C(C=CC=C5)O4)C=CC3=C2)S1	2.0306	2.421	2.8498	512.0750118	495.885	0.226827976	-0.436094309	220.1311689	38.92	6	2	0	0	5
91	ClC1=CC=C2SC(C3=CC=C4C=C(C5=NC6=C(O5)C5=CC=CC=C5C5=C6C=CC=C5)C=CC4=C3)=NC2=C1	2.0265	2.4201	2.8504	512.0750118	495.885	0.226884234	-0.435408783	220.1311689	38.92	6	2	0	0	5
92	BrC1=CC=C2C=C(C3=CC=C4C=C(C5=NC6=C(S5)C5=C(C=C(Br)C=C5)C5=CC(Br)=CC=C56)C=CC4=C3)C=CC2=C1	2.0553	2.414	2.7617	720.8710069	706.171	0.124173233	-0.235356944	259.4165683	12.89	7	1	0	0	5
93	IC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=CC=C3C=C(C4=NC5=C(C=CC=C5)O4)C=CC3=C2)S1	2.0237	2.4112	2.8324	604.0106322	587.336	0.226827976	-0.436094309	229.0897408	38.92	6	2	0	0	5
94	IC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=CC=C3C=C(C4=NC5=C(C=CC=C5)S4)C=CC3=C2)S1	2.0222	2.4107	2.8388	619.9877885	603.404	0.124173233	-0.236039716	233.9357748	25.78	6	2	0	0	5
95	IC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=CC=C3C=C(C4=NC5=C(C=C(I)C(I)=C5)S4)C=CC3=C2)S1	2.0052	2.408	2.8744	871.7810845	857.212	0.124173233	-0.235999297	272.4594511	25.78	6	2	0	0	7
96	ClC1=CC=C2C=C(C3=CC=C4C=C(C5=NC6=C(S5)C5=C(C=C(Br)C=C5)C5=CC(Br)=CC=C56)C=CC4=C3)C=CC2=C1	2.0441	2.4046	2.7575	676.9215225	661.72	0.124173233	-0.235356944	255.8522869	12.89	7	1	0	0	5
97	IC1=CC2=C(C=C1I)SC(C1=CC=C3C=C(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)C=CC3=C1)=N2	2.003	2.4032	2.8549	729.9072801	714.24	0.226884234	-0.435408783	248.3515789	38.92	6	2	0	0	6
98	IC1=CC=C2C(=C1)C1=CC(I)=CC=C1C1=C2N=C(C2=CC=C3C=C(C4=NC5=C(C=C(I)C(I)=C5)S4)C=CC3=C2)S1	1.9941	2.4026	2.8863	997.6777324	984.116	0.124173233	-0.235999297	291.7212892	25.78	6	2	0	0	8
99	BrC1=CC=C2N=C(C3=CC=C4C=C(C5=NC6=C(C=C(Br)C=C6)S5)C=CC4=C3)SC2=C1	2.0244	2.4013	2.7855	549.8808646	540.22	0.124125629	-0.236038339	197.0457028	25.78	4	2	0	0	6
100	ClC1=CC=C2N=C(C3=CC=C4C=C(C5=NC6=C(C=C(Br)C=C6)S5)C=CC4=C3)SC2=C1	2.0253	2.4011	2.7824	505.9313802	495.769	0.12412583	-0.236038339	193.4814215	25.78	4	2	0	0	6
101	C1=CC=C2SC(C3=CC=C4C=C(C5=NC6=C(O5)C5=CC=CC=C5C5=C6C=CC=C5)C=CC4=C3)=NC2=C1	2.0179	2.3992	2.8047	478.1139842	460.432	0.226884234	-0.435408783	209.8279027	38.92	6	2	0	0	4
102	IC1=CC=C2C(=C1)C1=CC(I)=CC=C1C1=C2N=C(C2=CC=C3C=C(C4=NC5=C(C=CC=C5)O4)C=CC3=C2)S1	2.004	2.3944	2.8288	729.9072801	714.24	0.226827976	-0.436094309	248.3515789	38.92	6	2	0	0	6
103	BrC1=CC=C2N=C(C3=CC=C4C=C(C5=NC6=C(C=CC=C6)S5)C=CC4=C3)SC2=C1	2.0278	2.3917	2.7503	471.9703525	460.316	0.124125629	-0.236039716	183.1781552	25.78	4	2	0	0	5
104	BrC1=CC=C2C(=C1)C1=CC(Br)=CC=C1C1=C2N=C(C2=CC=C3C=C(C4=CC=C5C=CC=CC5=C4)C=CC3=C2)S1	2.0386	2.3906	2.7314	642.9604948	626.267	0.124173233	-0.235356944	245.5490207	12.89	7	1	0	0	4
105	BrC1=CC=C2N=C(C3=CC=C4C=C(C5=NC6=C(C=C(I)C=C6)S5)C=CC4=C3)SC2=C1	2.0118	2.3875	2.77	597.8670005	587.22	0.124125629	-0.236038426	202.4399934	25.78	4	2	0	0	6
106	BrC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=CC=C3C=C(C4=CC=C5C=C(I)C=CC5=C4)C=CC3=C2)S1	2.0354	2.3849	2.7159	690.9466307	673.267	0.124173233	-0.235356944	250.9433112	12.89	7	1	0	0	4
107	ClC1=CC=C2C(=C1)C1=CC(Cl)=CC=C1C1=C2N=C(C2=CC=C3C=C(C4=CC=C5C=CC=CC5=C4)C=CC3=C2)S1	2.0342	2.3829	2.7189	555.061526	537.365	0.124173233	-0.23535694	238.4204579	12.89	7	1	0	0	4
108	C1=CC=C2OC(C3=CC=C4C=C(C5=NC6=C(O5)C5=CC=CC=C5C5=C6C=CC=C5)C=CC4=C3)=NC2=C1	2.007	2.3804	2.7697	462.1368278	444.364	0.226884234	-0.436094309	204.9818687	52.06	6	2	0	0	4
109	ClC1=CC=C2C(=C1)C1=C(C=CC(Cl)=C1)C1=C2N=C(C2=CC3=CC=C(C4=CC5=CC=C(Br)C=C5C=C4)C=C3C=C2)S1	2.0341	2.38	2.7113	632.972038	617.269	0.124173233	-0.23535694	252.2880055	12.89	7	1	0	0	5
110	ClC1=CC=C2C=C(C3=CC=C4C=C(C5=NC6=C(S5)C5=C(C=C(I)C=C5)C5=CC(I)=CC=C56)C=CC4=C3)C=CC2=C1	2.0188	2.3725	2.7161	772.8937943	755.72	0.124173233	-0.235356944	266.6408679	12.89	7	1	0	0	5
111	ClC1=CC=C2SC(C3=CC=C4C=C(C5=NC6=C(C=C(Br)C=C6)S5)C=CC4=C3)=NC2=C1	2.015	2.3722	2.7234	505.9313802	495.769	0.124126071	-0.236038339	193.4814215	25.78	4	2	0	0	6
112	ClC1=CC=C2N=C(C3=CC=C4C=C(C5=NC6=C(C=C(Cl)C=C6)S5)C=CC4=C3)SC2=C1	2.0081	2.3719	2.7364	461.9818957	451.318	0.12412583	-0.236037892	189.9171401	25.78	4	2	0	0	6
113	IC1=CC=C2N=C(C3=CC=C4C=C(C5=NC6=C(C=C(I)C=C6)S5)C=CC4=C3)SC2=C1	1.9983	2.3718	2.7516	645.8531364	634.22	0.124125589	-0.236038426	207.8342839	25.78	4	2	0	0	6
114	BrC1=CC=C2C(=C1)C1=C(C=CC(Br)=C1)C1=C2N=C(C2=CC3=CC=C(C4=CC5=CC=C(I)C=C5C=C4)C=C3C=C2)S1	2.0174	2.3682	2.7091	768.8571428	753.171	0.124173233	-0.235356944	264.8108588	12.89	7	1	0	0	5
115	BrC1=CC=C2C=C(C3=CC=C4C=C(C5=NC6=C(S5)C5=CC=CC=C5C5=C6C=CC=C5)C=CC4=C3)C=CC2=C1	2.0268	2.3675	2.6909	565.0499827	546.363	0.124173233	-0.235356954	231.681473	12.89	7	1	0	0	3
116	BrC1=CC=C2SC(C3=CC=C4C=C(C5=NC6=C(C=C(I)C=C6)S5)C=CC4=C3)=NC2=C1	2.0064	2.3639	2.7155	597.8670005	587.22	0.124125811	-0.236038426	202.4399934	25.78	4	2	0	0	6
117	BrC1=CC=C2SC(C3=CC=C4C=C(C5=NC6=C(C=C(Br)C=C6)S5)C=CC4=C3)=NC2=C1	2.0099	2.363	2.7085	549.8808646	540.22	0.124125811	-0.236038339	197.0457028	25.78	4	2	0	0	6
118	IC1=CC=C2N=C(C3=CC=C4C=C(C5=NC6=C(C=CC=C6)S5)C=CC4=C3)SC2=C1	2.0049	2.3617	2.7112	519.9564884	507.316	0.124125589	-0.236039716	188.5724458	25.78	4	2	0	0	5
119	ClC1=CC=C2C=C(C3=CC=C4C=C(C5=NC6=C(S5)C5=C(C=CC=C5)C5=CC(Br)=CC=C56)C=CC4=C3)C=CC2=C1	2.0252	2.3613	2.6752	599.0110104	581.816	0.124173233	-0.235356944	241.9847393	12.89	7	1	0	0	4
120	BrC1=CC=C2C=C(C3=CC=C4C=C(C5=NC6=C(O5)C5=CC=CC=C5C5=C6C=CC=C5)C=CC4=C3)C=CC2=C1	2.0264	2.3588	2.6563	549.0728264	530.295	0.226884234	-0.435408783	226.835439	26.03	7	1	0	0	3
121	IC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=CC=C3C=C(C4=CC=C5C=CC=CC5=C4)C=CC3=C2)S1	2.0251	2.3578	2.6641	613.0361186	593.363	0.124173233	-0.235356944	237.0757636	12.89	7	1	0	0	3
122	IC1=CC=C2C(=C1)C1=CC(I)=CC=C1C1=C2N=C(C2=CC=C3C=C(C4=CC=C5C=CC=CC5=C4)C=CC3=C2)S1	2.0115	2.3558	2.6862	738.9327666	720.267	0.124173233	-0.235356944	256.3376017	12.89	7	1	0	0	4
123	C1=CC=C2SC(C3=CC=C4C=C(C5=NC6=C(C=CC=C6)S5)C=CC4=C3)=NC2=C1	2.0147	2.3556	2.6776	394.0598404	380.412	0.124125009	-0.236039716	169.3106076	25.78	4	2	0	0	4
124	BrC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=CC=C3C=C(C4=CC=C5C=CC=CC5=C4)C=CC3=C2)S1	2.0254	2.3553	2.6599	565.0499827	546.363	0.124173233	-0.235356944	231.681473	12.89	7	1	0	0	3
125	BrC1=CC=C2SC(C3=CC=C4C=C(C5=NC6=C(C=CC(Br)=C6)S5)C=CC4=C3)=NC2=C1	2.0137	2.3552	2.68	549.8808646	540.22	0.124125811	-0.235997984	197.0457028	25.78	4	2	0	0	6
126	ClC1=CC=C2C(=C1)C1=C(C=CC(Cl)=C1)C1=C2N=C(C2=CC3=CC=C(C4=CC5=CC=C(I)C=C5C=C4)C=C3C=C2)S1	2.0094	2.3552	2.6892	680.9581739	664.269	0.124173233	-0.23535694	257.682296	12.89	7	1	0	0	5
127	ClC1=CC=C2N=C(C3=CC=C4C=C(C5=NC6=C(C=CC=C6)S5)C=CC4=C3)SC2=C1	2.0059	2.3549	2.6935	428.0208681	415.865	0.12412583	-0.236039716	179.6138739	25.78	4	2	0	0	5
128	BrC1=CC=C2N=C(C3=CC=C4C=C(C5=NC6=C(C=C(I)C(I)=C6)S5)C=CC4=C3)SC2=C1	1.9912	2.3547	2.721	723.7636485	714.124	0.124126341	-0.236038339	221.7018315	25.78	4	2	0	0	7
129	IC1=CC=C2C=C(C3=CC=C4C=C(C5=NC6=C(S5)C5=CC=CC=C5C5=C6C=CC=C5)C=CC4=C3)C=CC2=C1	2.0144	2.3535	2.6749	613.0361186	593.363	0.124173233	-0.235356954	237.0757636	12.89	7	1	0	0	3
130	ClC1=CC=C2SC(C3=CC=C4C=C(C5=NC6=C(C=C(I)C=C6)S5)C=CC4=C3)=NC2=C1	1.9989	2.3532	2.7008	553.9175161	542.769	0.124126071	-0.236038426	198.875712	25.78	4	2	0	0	6
131	IC1=CC=C2C=C(C3=CC=C4C=C(C5=NC6=C(S5)C5=C(C=CC=C5)C5=CC(I)=CC=C56)C=CC4=C3)C=CC2=C1	2.0136	2.3531	2.6704	738.9327666	720.267	0.124173233	-0.235356944	256.3376017	12.89	7	1	0	0	4
132	BrC1=CC=C2C=C(C3=CC=C4C=C(C5=NC6=C(S5)C5=C(C=CC=C5)C5=CC(Br)=CC=C56)C=CC4=C3)C=CC2=C1	2.0234	2.3517	2.6543	642.9604948	626.267	0.124173233	-0.235356944	245.5490207	12.89	7	1	0	0	4
133	BrC1=CC=C2SC(C3=CC=C4C=C(C5=NC6=C(C=CC=C6)S5)C=CC4=C3)=NC2=C1	2.0091	2.3474	2.6675	471.9703525	460.316	0.124125811	-0.236039716	183.1781552	25.78	4	2	0	0	5
134	ClC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=CC=C3C=C(C4=CC=C5C=CC=CC5=C4)C=CC3=C2)S1	2.0186	2.3467	2.6505	521.1004983	501.912	0.124173233	-0.23535694	228.1171917	12.89	7	1	0	0	3
135	IC1=CC=C2C=C(C3=CC=C4C=C(C5=NC6=C(S5)C5=C(C=C(I)C=C5)C5=CC(I)=CC=C56)C=CC4=C3)C=CC2=C1	1.9984	2.3459	2.6818	864.8294146	847.171	0.124173233	-0.235356944	275.5994398	12.89	7	1	0	0	5
136	ClC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=CC=C3C=C(C4=CC=C5C=C(Br)C=CC5=C4)C=CC3=C2)S1	2.0176	2.343	2.6427	599.0110104	581.816	0.124173233	-0.23535694	241.9847393	12.89	7	1	0	0	4
137	ClC1=CC=C2C=C(C3=CC=C4C=C(C5=NC6=C(S5)C5=C(C=C(Cl)C=C5)C5=CC(Cl)=CC=C56)C=CC4=C3)C=CC2=C1	2.0113	2.343	2.6565	589.0225536	572.818	0.124173233	-0.23535694	248.7237241	12.89	7	1	0	0	5
138	BrC1=CC=C2C=C(C3=CC=C4C=C(C5=NC6=C(S5)C5=C(C=C(I)C=C5)C5=CC(I)=CC=C56)C=CC4=C3)C=CC2=C1	2.005	2.3425	2.663	816.8432787	800.171	0.124173233	-0.235356944	270.2051493	12.89	7	1	0	0	5
139	ClC1=CC=C2C=C(C3=CC=C4C=C(C5=NC6=C(S5)C5=CC=CC=C5C5=C6C=CC=C5)C=CC4=C3)C=CC2=C1	2.0147	2.3397	2.6415	521.1004983	501.912	0.124173233	-0.235356954	228.1171917	12.89	7	1	0	0	3
140	ClC1=CC=C2SC(C3=CC=C4C=C(C5=NC6=C(C=CC(Br)=C6)S5)C=CC4=C3)=NC2=C1	2.0032	2.3392	2.6571	505.9313802	495.769	0.124126071	-0.235997984	193.4814215	25.78	4	2	0	0	6
141	ClC1=CC2=C(C=C1)N=C(C1=CC3=CC=C(C4=NC5=CC(Br)=CC=C5S4)C=C3C=C1)S2	1.9954	2.3382	2.6696	505.9313802	495.769	0.12412583	-0.236037892	193.4814215	25.78	4	2	0	0	6
142	C1=CC=C2C=C(C3=CC=C4C=C(C5=NC6=C(S5)C5=CC=CC=C5C5=C6C=CC=C5)C=CC4=C3)C=CC2=C1	2.0175	2.338	2.6329	487.1394707	466.459	0.124173233	-0.235356954	217.8139254	12.89	7	1	0	0	2
143	ClC1=CC=C2SC(C3=CC=C4C=C(C5=NC6=C(C=CC=C6)S5)C=CC4=C3)=NC2=C1	2.0018	2.3371	2.6537	428.0208681	415.865	0.124126071	-0.236039716	179.6138739	25.78	4	2	0	0	5
144	ClC1=CC=C2C=C(C3=CC=C4C=C(C5=NC6=C(S5)C5=C(C=CC=C5)C5=CC(Cl)=CC=C56)C=CC4=C3)C=CC2=C1	2.0129	2.3355	2.6318	555.061526	537.365	0.124173233	-0.23535694	238.4204579	12.89	7	1	0	0	4
145	ClC1=CC=C2N=C(C3=CC=C4C=C(C5=NC6=C(C=C(I)C=C6)S5)C=CC4=C3)SC2=C1	1.9805	2.3346	2.6873	553.9175161	542.769	0.12412583	-0.236038426	198.875712	25.78	4	2	0	0	6
146	ClC1=CC=C2C=C(C3=CC=C4C=C(C5=NC6=C(S5)C5=C(C=CC=C5)C5=CC(I)=CC=C56)C=CC4=C3)C=CC2=C1	2.006	2.3341	2.6371	646.9971463	628.816	0.124173233	-0.235356944	247.3790298	12.89	7	1	0	0	4
147	IC1=CC=C2N=C(C3=CC=C4C=C(C5=NC6=C(C=C(I)C(I)=C6)S5)C=CC4=C3)SC2=C1	1.9743	2.333	2.6929	771.7497844	761.124	0.124126341	-0.236038426	227.096122	25.78	4	2	0	0	7
148	ClC1=CC=C2N=C(C3=CC=C4C=C(C5=NC6=C(C=C(I)C(I)=C6)S5)C=CC4=C3)SC2=C1	1.9788	2.333	2.6857	679.814164	669.673	0.124126341	-0.236037892	218.1375501	25.78	4	2	0	0	7
149	ClC1=CC=C2SC(C3=CC=C4C=C(C5=NC6=C(C=C(Cl)C=C6)S5)C=CC4=C3)=NC2=C1	1.9908	2.3317	2.6612	461.9818957	451.318	0.124126071	-0.236037892	189.9171401	25.78	4	2	0	0	6
150	ClC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=CC=C3C=C(C4=CC=C5C=C(I)C=CC5=C4)C=CC3=C2)S1	2	2.3302	2.6385	646.9971463	628.816	0.124173233	-0.23535694	247.3790298	12.89	7	1	0	0	4
151	BrC1=CC=C2C=C(C3=CC=C4C=C(C5=NC6=C(S5)C5=C(C=CC=C5)C5=CC(I)=CC=C56)C=CC4=C3)C=CC2=C1	2.0051	2.3277	2.6232	690.9466307	673.267	0.124173233	-0.235356944	250.9433112	12.89	7	1	0	0	4
152	BrC1=CC=C2SC(C3=CC=C4C=C(C5=NC6=C(C=C(I)C(I)=C6)S5)C=CC4=C3)=NC2=C1	1.9827	2.3276	2.6627	723.7636485	714.124	0.124126341	-0.235999297	221.7018315	25.78	4	2	0	0	7
153	BrC1=CC=C2N=C(C3=CC=C4C=C(C5=NC6=C(C=CC=C6)O5)C=CC4=C3)SC2=C1	1.9864	2.324	2.6453	455.9931961	444.248	0.226827976	-0.436094309	178.3321212	38.92	4	2	0	0	5
154	ClC1=CC=C2SC(C3=CC=C4C=C(C5=NC6=C(C=CC(Cl)=C6)S5)C=CC4=C3)=NC2=C1	1.9885	2.317	2.6261	461.9818957	451.318	0.124126071	-0.235984514	189.9171401	25.78	4	2	0	0	6
155	IC1=CC=C2C=C(C3=CC=C4C=C(C5=NC6=C(O5)C5=CC=CC=C5C5=C6C=CC=C5)C=CC4=C3)C=CC2=C1	1.9946	2.315	2.5988	597.0589623	577.295	0.226884234	-0.435408783	232.2297296	26.03	7	1	0	0	3
156	ClC1=CC=C2SC(C3=CC=C4C=C(C5=NC6=C(C=C(I)C(I)=C6)S5)C=CC4=C3)=NC2=C1	1.9726	2.312	2.6402	679.814164	669.673	0.124126341	-0.235999297	218.1375501	25.78	4	2	0	0	7
157	C1=CC=C2C=C(C3=CC=C4C=C(C5=NC6=C(O5)C5=CC=CC=C5C5=C6C=CC=C5)C=CC4=C3)C=CC2=C1	2.006	2.311	2.5722	471.1623143	450.391	0.226884234	-0.435408783	212.9678914	26.03	7	1	0	0	2
158	ClC1=CC=C2N=C(C3=CC=C4C=C(C5=NC6=C(C=CC=C6)O5)C=CC4=C3)SC2=C1	1.9765	2.3071	2.6189	412.0437117	399.797	0.226827976	-0.436094309	174.7678399	38.92	4	2	0	0	5
159	IC1=CC=C2N=C(C3=CC=C4C=C(C5=NC6=C(C=CC=C6)O5)C=CC4=C3)SC2=C1	1.9707	2.3056	2.6236	503.979332	491.248	0.226827976	-0.436094309	183.7264117	38.92	4	2	0	0	5
160	IC1=CC2=C(C=C1I)SC(C1=CC=C3C=C(C4=NC5=C(C=C(I)C(I)=C5)S4)C=CC3=C1)=N2	1.9558	2.3037	2.649	897.6464323	888.028	0.124126341	-0.235999297	246.3579601	25.78	4	2	0	0	8
161	C1=CC=C2OC(C3=CC=C4C=C(C5=NC6=C(C=CC=C6)S5)C=CC4=C3)=NC2=C1	1.982	2.3028	2.5963	378.0826841	364.344	0.226827976	-0.436094309	164.4645736	38.92	4	2	0	0	4
162	BrC1=CC=C2C=C(C3=CC=C4C=C(C5=NC6=C(C=C(Br)C=C6)S5)C=CC4=C3)C=CC2=C1	2.0034	2.2983	2.5411	542.9291947	530.179	0.124125629	-0.236038339	200.1856916	12.89	5	1	0	0	4
163	IC1=CC2=C(C=C1I)SC(C1=CC=C3C=C(C4=NC5=C(C=CC=C5)S4)C=CC3=C1)=N2	1.9632	2.2965	2.6167	645.8531364	634.22	0.124126341	-0.236039716	207.8342839	25.78	4	2	0	0	6
164	BrC1=CC=C2SC(C3=CC=C4C=C(C5=NC6=C(C=CC=C6)O5)C=CC4=C3)=NC2=C1	1.9773	2.2964	2.5895	455.9931961	444.248	0.226827976	-0.436094309	178.3321212	38.92	4	2	0	0	5
165	ClC1=CC=C2C=C(C3=CC=C4C=C(C5=NC6=C(O5)C5=CC=CC=C5C5=C6C=CC=C5)C=CC4=C3)C=CC2=C1	1.9914	2.2949	2.5568	505.1233419	485.844	0.226884234	-0.435408783	223.2711577	26.03	7	1	0	0	3
166	IC1=CC2=C(C=C1I)SC(C1=CC=C3C=C(C4=NC5=C(C=CC=C5)O4)C=CC3=C1)=N2	1.9531	2.2797	2.5878	629.87598	618.152	0.226827976	-0.436094309	202.9882499	38.92	4	2	0	0	6
167	BrC1=CC2=C(C=C1)SC(C1=CC3=CC=C(C4=CC5=CC=C(I)C=C5C=C4)C=C3C=C1)=N2	1.9879	2.2779	2.5134	590.9153306	577.179	0.124125811	-0.235997984	205.5799821	12.89	5	1	0	0	4
168	ClC1=CC2=C(C=C1)N=C(C1=CC3=CC=C(C4=CC5=CC=C(Br)C=C5C=C4)C=C3C=C1)S2	1.9857	2.2778	2.5188	498.9797103	485.728	0.12412583	-0.236037892	196.6214102	12.89	5	1	0	0	4
169	ClC1=CC=C2C=C(C3=CC=C4C=C(C5=NC6=C(C=C(I)C=C6)S5)C=CC4=C3)C=CC2=C1	1.9802	2.2755	2.5204	546.9658462	532.728	0.124125589	-0.236038426	202.0157007	12.89	5	1	0	0	4
170	ClC1=CC2=C(C=C1)N=C(C1=CC3=CC=C(C4=CC5=CC=C(I)C=C5C=C4)C=C3C=C1)S2	1.9782	2.2727	2.5163	546.9658462	532.728	0.12412583	-0.236037892	202.0157007	12.89	5	1	0	0	4
171	BrC1=CC=C2C=C(C3=CC=C4C=C(C5=NC6=C(C=C(I)C(I)=C6)S5)C=CC4=C3)C=CC2=C1	1.9721	2.2692	2.5178	716.8119785	704.083	0.124126341	-0.235999297	224.8418202	12.89	5	1	0	0	5
172	ClC1=CC=C2C=C(C3=CC=C4C=C(C5=NC6=C(C=C(Br)C=C6)S5)C=CC4=C3)C=CC2=C1	1.9809	2.2639	2.4944	498.9797103	485.728	0.124125629	-0.236038339	196.6214102	12.89	5	1	0	0	4
173	ClC1=CC=C2SC(C3=CC=C4C=C(C5=NC6=C(C=CC=C6)O5)C=CC4=C3)=NC2=C1	1.9551	2.2632	2.5441	412.0437117	399.797	0.226827976	-0.436094309	174.7678399	38.92	4	2	0	0	5
174	ClC1=CC2=C(C=C1)SC(C1=CC3=CC=C(C4=CC5=CC=C(Br)C=C5C=C4)C=C3C=C1)=N2	1.9819	2.2626	2.4886	498.9797103	485.728	0.124126071	-0.235984514	196.6214102	12.89	5	1	0	0	4
175	ClC1=CC=C2C=C(C3=CC=C4C=C(C5=NC6=C(C=C(Cl)C=C6)S5)C=CC4=C3)C=CC2=C1	1.976	2.262	2.4965	455.0302258	441.277	0.12412583	-0.236037892	193.0571288	12.89	5	1	0	0	4
176	BrC1=CC=C2C=C(C3=CC=C4C=C(C5=NC6=C(C=C(I)C=C6)S5)C=CC4=C3)C=CC2=C1	1.9722	2.2572	2.49	590.9153306	577.179	0.124125589	-0.236038426	205.5799821	12.89	5	1	0	0	4
177	BrC1=CC=C2N=C(C3=CC=C4C=C(C5=CC=C6C=CC=CC6=C5)C=CC4=C3)SC2=C1	1.9732	2.2543	2.4838	465.0186826	450.275	0.124125629	-0.236038339	186.318144	12.89	5	1	0	0	3
178	IC1=CC=C2N=C(C3=CC=C4C=C(C5=CC=C6C=CC=CC6=C5)C=CC4=C3)SC2=C1	1.9646	2.2471	2.4782	513.0048185	497.275	0.124125589	-0.236038426	191.7124345	12.89	5	1	0	0	3
179	BrC1=CC=C2C=C(C3=CC=C4C=C(C5=NC6=C(C=CC(Br)=C6)S5)C=CC4=C3)C=CC2=C1	1.9758	2.2464	2.4605	542.9291947	530.179	0.124125811	-0.235997984	200.1856916	12.89	5	1	0	0	4
180	IC1=CC=C2C=C(C3=CC=C4C=C(C5=NC6=C(C=C(I)C=C6)S5)C=CC4=C3)C=CC2=C1	1.9544	2.2438	2.4835	638.9014665	624.179	0.124125589	-0.236038426	210.9742726	12.89	5	1	0	0	4
181	C1=CC=C2OC(C3=CC=C4C=C(C5=NC6=C(C=CC=C6)O5)C=CC4=C3)=NC2=C1	1.9435	2.2435	2.5104	362.1055277	348.276	0.226827976	-0.436094309	159.6185396	52.06	4	2	0	0	4
182	BrC1=CC2=C(C=C1)N=C(C1=CC3=CC=C(C4=CC5=CC=C(I)C=C5C=C4)C=C3C=C1)S2	1.9632	2.2435	2.4713	590.9153306	577.179	0.124125629	-0.236038339	205.5799821	12.89	5	1	0	0	4
183	IC1=CC=C2C=C(C3=CC=C4C=C(C5=NC6=C(C=C(I)C(I)=C6)S5)C=CC4=C3)C=CC2=C1	1.9461	2.2351	2.4754	764.7981144	751.083	0.124126341	-0.235999297	230.2361107	12.89	5	1	0	0	5
184	ClC1=CC=C2N=C(C3=CC=C4C=C(C5=CC=C6C=CC=CC6=C5)C=CC4=C3)SC2=C1	1.9596	2.2323	2.4527	421.0691982	405.824	0.12412583	-0.236037892	182.7538626	12.89	5	1	0	0	3
185	C1=CC=C2C=C(C3=CC=C4C=C(C5=NC6=C(C=CC=C6)S5)C=CC4=C3)C=CC2=C1	1.9678	2.232	2.4388	387.1081705	370.371	0.124125009	-0.236039716	172.4505964	12.89	5	1	0	0	2
186	BrC1=CC=C2C=C(C3=CC=C4C=C(C5=NC6=C(C=CC=C6)S5)C=CC4=C3)C=CC2=C1	1.9664	2.2294	2.4348	465.0186826	450.275	0.124125009	-0.236039716	186.318144	12.89	5	1	0	0	3
187	ClC1=CC=C2C=C(C3=CC=C4C=C(C5=NC6=C(C=CC=C6)S5)C=CC4=C3)C=CC2=C1	1.9664	2.2286	2.4329	421.0691982	405.824	0.124125009	-0.236039716	182.7538626	12.89	5	1	0	0	3
188	ClC1=CC=C2C=C(C3=CC=C4C=C(C5=NC6=C(C=CC(Br)=C6)S5)C=CC4=C3)C=CC2=C1	1.9611	2.2236	2.4298	498.9797103	485.728	0.124125811	-0.235997984	196.6214102	12.89	5	1	0	0	4
189	BrC1=CC=C2SC(C3=CC=C4C=C(C5=CC=C6C=CC=CC6=C5)C=CC4=C3)=NC2=C1	1.9594	2.2164	2.4166	465.0186826	450.275	0.124125811	-0.235997984	186.318144	12.89	5	1	0	0	3
190	IC1=CC=C2C=C(C3=CC=C4C=C(C5=NC6=C(C=CC=C6)S5)C=CC4=C3)C=CC2=C1	1.953	2.2152	2.4195	513.0048185	497.275	0.124125009	-0.236039716	191.7124345	12.89	5	1	0	0	3
191	ClC1=CC=C2C=C(C3=CC=C4C=C(C5=NC6=C(C=C(I)C(I)=C6)S5)C=CC4=C3)C=CC2=C1	1.9365	2.2145	2.4432	672.8624941	659.632	0.124126341	-0.235999297	221.2775388	12.89	5	1	0	0	5
192	ClC1=CC2=C(C=C1)SC(C1=CC3=CC=C(C4=CC5=CC=C(I)C=C5C=C4)C=C3C=C1)=N2	1.9497	2.2143	2.423	546.9658462	532.728	0.124126071	-0.235984514	202.0157007	12.89	5	1	0	0	4
193	IC1=CC=C2C=C(C3=CC=C4C=C(C5=NC6=C(C=CC=C6)O5)C=CC4=C3)C=CC2=C1	1.9473	2.214	2.4221	497.0276621	481.207	0.226827976	-0.436094309	186.8664005	26.03	5	1	0	0	3
194	ClC1=CC=C2C=C(C3=CC=C4C=C(C5=NC6=C(C=CC(Cl)=C6)S5)C=CC4=C3)C=CC2=C1	1.9535	2.2137	2.4181	455.0302258	441.277	0.124126071	-0.235984514	193.0571288	12.89	5	1	0	0	4
195	BrC1=CC=C2C=C(C3=CC=C4C=C(C5=CC=C6C=C(I)C=CC6=C5)C=CC4=C3)C=CC2=C1	1.9613	2.205	2.3771	583.9636607	567.138	0.018114279	-0.053743424	208.7199709	0	6	0	0	0	2
196	IC1=CC2=C(C=C1I)SC(C1=CC=C3C=C(C4=CC=C5C=CC=CC5=C4)C=CC3=C1)=N2	1.9368	2.2038	2.4188	638.9014665	624.179	0.124126341	-0.235999297	210.9742726	12.89	5	1	0	0	4
197	BrC1=CC=C2C=C(C3=CC=C4C=C(C5=CC=C6C=C(Br)C=CC6=C5)C=CC4=C3)C=CC2=C1	1.963	2.2025	2.3711	535.9775248	520.138	0.018114279	-0.053743424	203.3256803	0	6	0	0	0	2
198	ClC1=CC=C2SC(C3=CC=C4C=C(C5=CC=C6C=CC=CC6=C5)C=CC4=C3)=NC2=C1	1.9434	2.1944	2.3893	421.0691982	405.824	0.124126071	-0.235984514	182.7538626	12.89	5	1	0	0	3
199	BrC1=CC=C2C=C(C3=CC=C4C=C(C5=NC6=C(C=CC=C6)O5)C=CC4=C3)C=CC2=C1	1.9432	2.194	2.3849	449.0415262	434.207	0.226827976	-0.436094309	181.47211	26.03	5	1	0	0	3
200	BrC1=CC=C2C(=C1)C1=CC(Br)=CC=C1C1=C2N=C(C2=CC=C3C=CC=CC3=C2)S1	1.9529	2.1915	2.3793	516.9135446	506.157	0.124173233	-0.235356944	187.8102619	12.89	5	1	0	0	4
201	ClC1=CC=C2C=C(C3=CC=C4C=C(C5=NC6=C(C=CC=C6)O5)C=CC4=C3)C=CC2=C1	1.9393	2.1875	2.3759	405.0920418	389.756	0.226827976	-0.436094309	177.9078286	26.03	5	1	0	0	3
202	ClC1=CC=C2C=C(C3=CC=C4C=C(C5=CC=C6C=C(Br)C=CC6=C5)C=CC4=C3)C=CC2=C1	1.9566	2.1837	2.3394	492.0280404	475.687	0.041187673	-0.08432103	199.761399	0	6	0	0	0	2
203	ClC1=CC=C2C=C(C3=CC=C4C=C(C5=CC=C6C=C(Cl)C=CC6=C5)C=CC4=C3)C=CC2=C1	1.9478	2.179	2.3401	448.0785559	431.236	0.041187673	-0.08432103	196.1971176	0	6	0	0	0	2
204	IC1=CC=C2C=C(C3=CC=C4C=C(C5=CC=C6C=C(I)C=CC6=C5)C=CC4=C3)C=CC2=C1	1.9406	2.1725	2.3327	631.9497966	614.138	0.013619844	-0.053743424	214.1142614	0	6	0	0	0	2
205	C1=CC=C2C=C(C3=CC=C4C=C(C5=NC6=C(C=CC=C6)O5)C=CC4=C3)C=CC2=C1	1.9321	2.1724	2.3525	371.1310142	354.303	0.226827976	-0.436094309	167.6045624	26.03	5	1	0	0	2
206	BrC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=CC=C3C=CC=CC3=C2)S1	1.9356	2.1565	2.3234	439.0030325	426.253	0.124173233	-0.235356944	173.9427143	12.89	5	1	0	0	3
207	ClC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=CC=C3C=CC=CC3=C2)S1	1.9307	2.1506	2.3172	395.0535481	381.802	0.124173233	-0.23535694	170.3784329	12.89	5	1	0	0	3
208	BrC1=CC=C2C=C(C3=CC=C4C=C(C5=CC=C6C=CC=CC6=C5)C=CC4=C3)C=CC2=C1	1.94	2.149	2.2875	458.0670127	440.234	0.018114279	-0.061629703	189.4581327	0	6	0	0	0	1
209	ClC1=CC=C2C(=C1)C1=CC(Cl)=CC=C1C1=C2N=C(C2=CC=C3C=CC=CC3=C2)S1	1.9227	2.1486	2.3244	429.0145758	417.255	0.124173233	-0.23535694	180.6816992	12.89	5	1	0	0	4
210	ClC1=CC=C2C=C(C3=CC=C4C=C(C5=CC=C6C=C(I)C=CC6=C5)C=CC4=C3)C=CC2=C1	1.9255	2.1454	2.2953	540.0141763	522.687	0.041187673	-0.08432103	205.1556895	0	6	0	0	0	2
211	IC1=CC=C2C=C(C3=CC=C4C=C(C5=CC=C6C=CC=CC6=C5)C=CC4=C3)C=CC2=C1	1.9285	2.1452	2.2917	506.0531486	487.234	0.013619844	-0.061629703	194.8524232	0	6	0	0	0	1
212	IC1=CC=C2C(=C1)C1=CC(I)=CC=C1C1=C2N=C(C2=CC=C3C=CC=CC3=C2)S1	1.9088	2.1382	2.3165	612.8858164	600.157	0.124173233	-0.235356944	198.5988429	12.89	5	1	0	0	4
213	C1=CC=C2C=C(C3=CC=C4C=C(C5=CC=C6C=CC=CC6=C5)C=CC4=C3)C=CC2=C1	1.932	2.1373	2.2729	380.1565006	360.33	-0.017743194	-0.061629703	175.5905851	0	6	0	0	0	0
214	ClC1=CC=C2C=C(C3=CC=C4C=C(C5=CC=C6C=CC=CC6=C5)C=CC4=C3)C=CC2=C1	1.9278	2.1309	2.2646	414.1175283	395.783	0.041187673	-0.08432103	185.8938514	0	6	0	0	0	1
215	C1=CC=C2C=C(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)C=CC2=C1	1.9155	2.1299	2.2935	361.0925205	346.349	0.124173233	-0.235356954	160.0751667	12.89	5	1	0	0	2
216	IC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=CC=C3C=CC=CC3=C2)S1	1.905	2.1182	2.2773	486.9891684	473.253	0.124173233	-0.235356944	179.3370048	12.89	5	1	0	0	3
217	C1=CC=C2C=C(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)C=CC2=C1	1.8948	2.0982	2.2449	345.1153641	330.281	0.226884234	-0.435408783	155.2291327	26.03	5	1	0	0	2
218	BrC1=CC=C2N=C(C3=CC=C4C=CC=CC4=C3)SC2=C1	1.8597	2.0327	2.1492	338.9717324	330.165	0.124125629	-0.236038339	128.5793852	12.89	3	1	0	0	3
219	IC1=CC=C2N=C(C3=CC=C4C=CC=CC4=C3)SC2=C1	1.8416	2.0146	2.1313	386.9578683	377.165	0.124125589	-0.236038426	133.9736758	12.89	3	1	0	0	3
220	ClC1=CC=C2N=C(C3=CC=C4C=CC=CC4=C3)SC2=C1	1.8414	2.0075	2.1185	295.022248	285.714	0.12412583	-0.236037892	125.0151039	12.89	3	1	0	0	3
221	BrC1=CC=C2SC(C3=CC=C4C=CC=CC4=C3)=NC2=C1	1.8458	2.0058	2.1101	338.9717324	330.165	0.124125811	-0.235997984	128.5793852	12.89	3	1	0	0	3
222	ClC1=CC=C2SC(C3=CC=C4C=CC=CC4=C3)=NC2=C1	1.8363	1.9938	2.0964	295.022248	285.714	0.124126071	-0.235984514	125.0151039	12.89	3	1	0	0	3
223	C1=CC=C2C=C(C3=NC4=C(C=CC=C4)S3)C=CC2=C1	1.8306	1.9842	2.0834	261.0612204	250.261	0.124125009	-0.236039716	114.7118376	12.89	3	1	0	0	2
224	BrC1=CC=C2C=C(C3=CC=C4C=CC=CC4=C3)C=CC2=C1	1.8395	1.9812	2.0646	332.0200625	320.124	0.018114279	-0.061629703	131.719374	0	4	0	0	0	1
225	IC1=CC2=C(C=C1I)SC(C1=CC=C3C=CC=CC3=C1)=N2	1.8102	1.9763	2.0873	512.8545163	504.069	0.124126341	-0.235999297	153.2355139	12.89	3	1	0	0	4
226	ClC1=CC=C2C=C(C3=CC=C4C=CC=CC4=C3)C=CC2=C1	1.8279	1.9654	2.0457	288.0705781	275.673	0.041187673	-0.08432103	128.1550926	0	4	0	0	0	1
227	IC1=CC=C2C=C(C3=CC=C4C=CC=CC4=C3)C=CC2=C1	1.8136	1.9541	2.0368	380.0061984	367.124	0.013619844	-0.061629703	137.1136645	0	4	0	0	0	1
228	C1=CC2=C(C=C1)C1=C(OC(C3=CC=C(N(C4=CC=C(C5=NC6=C(S5)C5=C(C=CC=C5)C5=CC=CC=C56)C=C4)C4=CC=C(C5=NC6=C(S5)C5=C(C=CC=C5)C5=CC=CC=C56)C=C4)C=C3)=N1)C1=CC=CC=C21	2.0707	2.551	3.2193	928.2330538	892.854	0.226864211	-0.43540916	408.3456884	55.05	12	3	0	0	7
229	C1=CC=C2SC(C3=CC=C(N(C4=CC=C(C5=NC6=C(S5)C5=CC=CC=C5C5=C6C=CC=C5)C=C4)C4=CC=C(C5=NC6=C(S5)C5=CC=CC=C5C5=C6C=CC=C5)C=C4)C=C3)=NC2=C1	2.0574	2.5256	3.17	844.17891	812.834	0.124153376	-0.310504422	367.8283933	41.91	10	3	0	0	7
230	C1=CC=C2OC(C3=CC=C(N(C4=CC=C(C5=NC6=C(O5)C5=CC=CC=C5C5=C6C=CC=C5)C=C4)C4=CC=C(C5=NC6=C(S5)C5=CC=CC=C5C5=C6C=CC=C5)C=C4)C=C3)=NC2=C1	2.0444	2.4807	3.0216	812.2245973	780.698	0.226864211	-0.436094686	358.1363253	68.19	10	3	0	0	7
231	C1=CC=C2C(=C1)C1=C(C=CC=C1)C1=C2N=C(C2=CC=C(N(C3=CC=C(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)C=C3)C3=CC=C(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)C=C3)C=C2)O1	2.0446	2.4757	2.9933	896.278741	860.718	0.226864211	-0.43540916	398.6536203	81.33	12	3	0	0	7
232	IC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=NC6=C(S5)C5=CC=CC=C5C5=C6C=CC=C5)C=C4)C4=CC=C(C5=NC6=C(S5)C5=CC=CC=C5C5=C6C=CC=C5)C=C4)C=C3)C=CC2=C1	2.0463	2.4745	3.016	963.1238881	929.697	0.124153376	-0.310504445	390.2302202	29.02	11	2	0	0	6
233	C1=CC=C2OC(C3=CC=C(N(C4=CC=C(C5=NC6=C(C=CC=C6)S5)C=C4)C4=CC=C(C5=NC6=C(S5)C5=CC=CC=C5C5=C6C=CC=C5)C=C4)C=C3)=NC2=C1	2.0431	2.4733	3.0003	728.1704535	700.678	0.226807953	-0.436094686	317.6190302	55.05	8	3	0	0	7
234	C1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=NC6=C(S5)C5=CC=CC=C5C5=C6C=CC=C5)C=C4)C4=CC=C(C5=NC6=C(S5)C5=CC=CC=C5C5=C6C=CC=C5)C=C4)C=C3)C=CC2=C1	2.0462	2.4729	3.0225	837.2272401	802.793	0.124153376	-0.310504445	370.968382	29.02	11	2	0	0	5
235	C1=CC=C2SC(C3=CC=C(N(C4=CC=C(C5=NC6=C(O5)C5=CC=CC=C5C5=C6C=CC=C5)C=C4)C4=CC=C(C5=NC6=C(C=CC=C6)S5)C=C4)C=C3)=NC2=C1	2.0337	2.4478	2.9295	728.1704535	700.678	0.226864211	-0.43540916	317.6190302	55.05	8	3	0	0	7
236	C1=CC=C2SC(C3=CC=C(N(C4=CC=C(C5=NC6=C(C=CC=C6)S5)C=C4)C4=CC=C(C5=NC6=C(S5)C5=CC=CC=C5C5=C6C=CC=C5)C=C4)C=C3)=NC2=C1	2.0225	2.4437	2.9662	744.1476099	716.746	0.124153376	-0.310504422	322.4650642	41.91	8	3	0	0	7
237	C1=CC=C2OC(C3=CC=C(N(C4=CC=C(C5=NC6=C(C=CC=C6)O5)C=C4)C4=CC=C(C5=NC6=C(S5)C5=CC=CC=C5C5=C6C=CC=C5)C=C4)C=C3)=NC2=C1	2.0225	2.4331	2.9178	712.1932971	684.61	0.226807953	-0.436094686	312.7729962	68.19	8	3	0	0	7
238	C1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=NC6=C(O5)C5=C(C=CC=C5)C5=CC=CC=C56)C=C4)C4=CC=C(C5=NC6=C(S5)C5=C(C=CC=C5)C5=CC=CC=C56)C=C4)C=C3)C=CC2=C1	2.0318	2.4289	2.893	821.2500837	786.725	0.226864211	-0.43540916	366.122348	42.16	11	2	0	0	5
239	BrC1=CC=C2C(=C1)C1=C(C=CC=C1)C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=C(C=C(Br)C=C3)C3=CC(Br)=CC=C34)=NC(C3=NC4=C(S3)C3=CC=C(Br)C=C3C3=CC(Br)=CC=C34)=N2)S1	2.0567	2.4249	2.8239	1169.675018	1156.291	0.192563441	-0.231940175	404.3143822	77.34	9	4	0	0	14
240	C1=CC=C(N(C2=CC=C(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C2=CC=C(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	2.0165	2.421	2.9475	711.1802899	682.683	0.124153376	-0.310505171	313.2296233	29.02	9	2	0	0	5
241	BrC1=CC=C2C(=C1)C1=CC(Br)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=C(C=C(Br)C=C3)C3=CC(Br)=CC=C34)=NC(C3=NC4=C(S3)C3=C(C=C(Br)C=C3)C3=CC(Br)=CC=C34)=N2)S1	2.0485	2.4203	2.831	1247.58553	1236.195	0.192563441	-0.231940175	418.1819299	77.34	9	4	0	0	15
242	IC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=NC6=C(O5)C5=C(C=CC=C5)C5=CC=CC=C56)C=C4)C4=CC=C(C5=NC6=C(S5)C5=C(C=CC=C5)C5=CC=CC=C56)C=C4)C=C3)C=CC2=C1	2.0239	2.4185	2.8724	947.1467317	913.629	0.226864211	-0.43540916	385.3841862	42.16	11	2	0	0	6
243	C1=CC=C2OC(C3=CC=C(N(C4=CC=C(C5=NC6=C(O5)C5=CC=CC=C5C5=C6C=CC=C5)C=C4)C4=CC=C(C5=NC6=C(O5)C5=CC=CC=C5C5=C6C=CC=C5)C=C4)C=C3)=NC2=C1	2.0164	2.4177	2.8739	796.2474409	764.63	0.226864211	-0.436094686	353.2902913	81.33	10	3	0	0	7
244	ClC1=CC=C(N(C2=CC=C(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C2=CC=C(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	2.0216	2.4176	2.9093	745.1413176	718.136	0.124153376	-0.310503419	323.5328895	29.02	9	2	0	0	6
245	BrC1=CC=C(N(C2=CC=C(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C2=CC=C(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	2.0216	2.4162	2.9043	789.090802	762.587	0.124153376	-0.310503848	327.0971709	29.02	9	2	0	0	6
246	C1=CC=C2SC(C3=CC=C(N(C4=CC=C(C5=NC6=C(C=CC=C6)S5)C=C4)C4=CC=C(C5=NC6=C(C=CC=C6)S5)C=C4)C=C3)=NC2=C1	2.0132	2.4084	2.8578	644.1163098	620.658	0.124105151	-0.310504422	277.1017352	41.91	6	3	0	0	7
247	C1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=NC6=C(O5)C5=CC=CC=C5C5=C6C=CC=C5)C=C4)C4=CC=C(C5=NC6=C(O5)C5=CC=CC=C5C5=C6C=CC=C5)C=C4)C=C3)C=CC2=C1	2.0292	2.4068	2.812	805.2729274	770.657	0.226864211	-0.43540916	361.276314	55.3	11	2	0	0	5
248	ClC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=NC6=C(C=CC=C6)S5)C=C4)C4=CC=C(C5=NC6=C(S5)C5=CC=CC=C5C5=C6C=CC=C5)C=C4)C=C3)C=CC2=C1	2.0205	2.406	2.8472	771.1569676	742.158	0.124153376	-0.310504445	335.9083192	29.02	9	2	0	0	6
249	ClC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=NC6=C(O5)C5=CC=CC=C5C5=C6C=CC=C5)C=C4)C4=CC=C(C5=NC6=C(O5)C5=CC=CC=C5C5=C6C=CC=C5)C=C4)C=C3)C=CC2=C1	2.025	2.4016	2.8029	839.233955	806.11	0.226864211	-0.43540916	371.5795803	55.3	11	2	0	0	6
250	BrC1=CC=C2C(=C1)C1=CC(Br)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=C(Br)C=C3C3=C4C=CC(Br)=C3)=NC(C3=NC4=C(S3)C3=CC=C(I)C=C3C3=C4C=CC(I)=C3)=N2)S1	2.0317	2.3987	2.8017	1343.557802	1330.195	0.192563441	-0.231940176	428.9705109	77.34	9	4	0	0	15
251	BrC1=CC=C2C(=C1)C1=CC(Br)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=C(C=C(Br)C=C3)C3=CC(Br)=CC=C34)=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC=CC=C34)=N2)S1	2.0385	2.3984	2.7889	1091.764506	1076.387	0.192563441	-0.231940186	390.4468346	77.34	9	4	0	0	13
252	BrC1=CC=C2C(=C1)C1=C(C=CC=C1)C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC=CC=C34)=NC(C3=NC4=C(S3)C3=CC=C(Br)C=C3C3=CC(Br)=CC=C34)=N2)S1	2.043	2.398	2.7765	1013.853994	996.483	0.192563441	-0.231940186	376.579287	77.34	9	4	0	0	12
253	BrC1=CC=C2C(=C1)C1=CC(Br)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=C(I)C=C3C3=C4C=CC(I)=C3)=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)=N2)S1	2.0334	2.396	2.7904	1187.736778	1170.387	0.192563441	-0.231940186	401.2354157	77.34	9	4	0	0	13
254	ClC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=NC6=C(O5)C5=CC=CC=C5C5=C6C=CC=C5)C=C4)C4=CC=C(C5=NC6=C(C=CC=C6)S5)C=C4)C=C3)C=CC2=C1	2.0242	2.3952	2.7872	755.1798113	726.09	0.226864211	-0.43540916	331.0622852	42.16	9	2	0	0	6
255	ClC1=CC=C2C(=C1)C1=CC(Cl)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=C(Br)C=C3C3=C4C=CC(Br)=C3)=NC(C3=NC4=C(S3)C3=CC=C(Br)C=C3C3=C4C=CC(Br)=C3)=N2)S1	2.0332	2.3945	2.7887	1159.686561	1147.293	0.192563441	-0.231940175	411.0533671	77.34	9	4	0	0	15
256	C1=CC=C2OC(C3=CC=C(N(C4=CC=C(C5=NC6=C(C=CC=C6)O5)C=C4)C4=CC=C(C5=NC6=C(O5)C5=CC=CC=C5C5=C6C=CC=C5)C=C4)C=C3)=NC2=C1	2.0085	2.3932	2.8098	696.2161408	668.542	0.226864211	-0.436094686	307.9269622	81.33	8	3	0	0	7
257	ClC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC(I)=C3)=NC(C3=NC4=C(S3)C3=CC=C(Br)C=C3C3=C4C=CC(Br)=C3)=N2)S1	2.04	2.3931	2.7641	1095.801158	1078.936	0.192563441	-0.231940176	392.2768438	77.34	9	4	0	0	13
258	ClC1=CC=C2C(=C1)C1=CC(Cl)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=C(Br)C=C3C3=C4C=CC(Br)=C3)=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)=N2)S1	2.0329	2.39	2.7769	1003.865537	987.485	0.192563441	-0.231940186	383.3182719	77.34	9	4	0	0	13
259	BrC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=NC6=C(C=CC=C6)O5)C=C4)C4=CC=C(C5=NC6=C(S5)C5=CC=CC=C5C5=C6C=CC=C5)C=C4)C=C3)C=CC2=C1	2.0119	2.3848	2.7939	799.1292957	770.541	0.226807953	-0.436094686	334.6265666	42.16	9	2	0	0	6
260	C1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=NC6=C(C=CC=C6)O5)C=C4)C4=CC=C(C5=NC6=C(S5)C5=CC=CC=C5C5=C6C=CC=C5)C=C4)C=C3)C=CC2=C1	2.0115	2.3838	2.798	721.2187836	690.637	0.226807953	-0.436094686	320.759019	42.16	9	2	0	0	5
261	ClC1=CC2=C(C=C1)C1=C(SC(C3=NC(C4=NC5=C(S4)C4=CC=C(Br)C=C4C4=C5C=CC(Br)=C4)=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=CC(Br)=CC=C45)=N3)=N1)C1=CC=C(Cl)C=C21	2.0313	2.3834	2.7585	1081.776049	1067.389	0.192563441	-0.231940175	397.1858195	77.34	9	4	0	0	14
262	BrC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC(I)=C3)=NC(C3=NC4=C(S3)C3=CC=C(Br)C=C3C3=C4C=CC(Br)=C3)=N2)S1	2.0323	2.3793	2.7407	1139.750642	1123.387	0.192563441	-0.231940176	395.8411252	77.34	9	4	0	0	13
263	BrC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=NC6=C(O5)C5=CC=CC=C5C5=C6C=CC=C5)C=C4)C4=CC=C(C5=NC6=C(C=CC=C6)S5)C=C4)C=C3)C=CC2=C1	2.0136	2.379	2.7632	799.1292957	770.541	0.226864211	-0.43540916	334.6265666	42.16	9	2	0	0	6
264	BrC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=NC6=C(C=CC=C6)O5)C=C4)C4=CC=C(C5=NC6=C(O5)C5=CC=CC=C5C5=C6C=CC=C5)C=C4)C=C3)C=CC2=C1	2.0193	2.379	2.7433	783.1521393	754.473	0.226864211	-0.436094686	329.7805326	55.3	9	2	0	0	6
265	BrC1=CC=C(N(C2=CC=C(C3=NC4=C(O3)C3=C(C=CC=C3)C3=CC=CC=C34)C=C2)C2=CC=C(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC=CC=C34)C=C2)C=C1	2.0087	2.3772	2.7945	773.1136456	746.519	0.226864211	-0.43540916	322.2511369	42.16	9	2	0	0	6
266	ClC1=CC=C2C(=C1)C1=CC(Cl)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC(Br)=CC=C34)=NC(C3=NC4=C(S3)C3=C(C=C(Cl)C=C3)C3=CC(Cl)=CC=C34)=N2)S1	2.0269	2.3768	2.7492	993.8770804	978.487	0.192563441	-0.231940175	390.0572567	77.34	9	4	0	0	14
267	ClC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=C(Br)C=C3C3=C4C=CC(Br)=C3)=NC(C3=NC4=C(S3)C3=CC=C(I)C=C3C3=C4C=CC(I)=C3)=N2)S1	2.0222	2.3757	2.753	1221.697805	1205.84	0.192563441	-0.231940176	411.5386819	77.34	9	4	0	0	14
268	C1=CC=C2OC(C3=CC=C(N(C4=CC=C(C5=NC6=C(C=CC=C6)S5)C=C4)C4=CC=C(C5=NC6=C(C=CC=C6)S5)C=C4)C=C3)=NC2=C1	1.997	2.3753	2.7891	628.1391534	604.59	0.226807953	-0.436094686	272.2557012	55.05	6	3	0	0	7
269	BrC1=CC=C2C(=C1)C1=CC(Br)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC(I)=CC=C34)=NC(C3=NC4=C(S3)C3=C(C=C(Br)C=C3)C3=CC(Br)=CC=C34)=N2)S1	2.0248	2.3753	2.7475	1217.661154	1203.291	0.192563441	-0.231940176	409.7086728	77.34	9	4	0	0	14
270	BrC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=N3)SC2=C1	2.0325	2.3749	2.725	1069.643718	1060.203	0.192563441	-0.232623517	358.9510532	77.34	7	4	0	0	14
271	C1=CC=C2C(=C1)C1=C(C=CC=C1)C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)=N2)S1	2.0297	2.3742	2.7381	780.1224578	756.771	0.192563441	-0.231940186	334.9766442	77.34	9	4	0	0	9
272	IC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=NC6=C(O5)C5=CC=CC=C5C5=C6C=CC=C5)C=C4)C4=CC=C(C5=NC6=C(O5)C5=CC=CC=C5C5=C6C=CC=C5)C=C4)C=C3)C=CC2=C1	2.0068	2.3741	2.7609	931.1695753	897.561	0.226864211	-0.43540916	380.5381522	55.3	11	2	0	0	6
273	IC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=NC6=C(O5)C5=CC=CC=C5C5=C6C=CC=C5)C=C4)C4=CC=C(C5=NC6=C(C=CC=C6)S5)C=C4)C=C3)C=CC2=C1	2.0088	2.3734	2.7552	847.1154316	817.541	0.226864211	-0.43540916	340.0208571	42.16	9	2	0	0	6
274	ClC1=CC=C2C(=C1)C1=CC(Cl)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC(I)=CC=C34)=NC(C3=NC4=C(S3)C3=C(C=C(Cl)C=C3)C3=CC(Cl)=CC=C34)=N2)S1	2.0214	2.3709	2.7422	1041.863216	1025.487	0.192563441	-0.231940176	395.4515472	77.34	9	4	0	0	14
275	ClC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC(Br)=C3)=NC(C3=NC4=C(S3)C3=CC=C(Cl)C=C3C3=C4C=CC(Cl)=C3)=N2)S1	2.0268	2.37	2.7287	959.9160528	943.034	0.192563441	-0.231940175	379.7539905	77.34	9	4	0	0	13
276	ClC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC(Br)=C3)=NC(C3=NC4=C(S3)C3=CC=C(Br)C=C3C3=C4C=CC(Br)=C3)=N2)S1	2.0269	2.3694	2.7264	1047.815022	1031.936	0.192563441	-0.231940175	386.8825533	77.34	9	4	0	0	13
277	BrC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)=N2)S1	2.0279	2.3679	2.7222	858.0329698	836.675	0.192563441	-0.231940186	348.8441918	77.34	9	4	0	0	10
278	IC1=CC=C(N(C2=CC=C(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C2=CC=C(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.9913	2.3671	2.8207	837.0769379	809.587	0.124153376	-0.310503931	332.4914614	29.02	9	2	0	0	6
279	ClC1=CC=C2C(=C1)C1=CC(Cl)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=C(C=C(Cl)C=C3)C3=CC(Cl)=CC=C34)=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC=CC=C34)=N2)S1	2.0182	2.3665	2.7415	915.9665684	898.583	0.192563441	-0.231940186	376.1897091	77.34	9	4	0	0	13
280	IC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=CC=C6C=C(I)C=CC6=C5)C=C4)C4=CC=C(C5=NC6=C(S5)C5=CC=CC=C5C5=C6C=CC=C5)C=C4)C=C3)C=CC2=C1	2.0142	2.3664	2.728	982.037566	950.472	0.124153376	-0.310504468	367.268718	16.13	10	1	0	0	5
281	BrC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC(Br)=CC=C34)=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC=CC=C34)=N2)S1	2.0284	2.366	2.7146	935.9434819	916.579	0.192563441	-0.231940186	362.7117394	77.34	9	4	0	0	11
282	IC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=NC6=C(C=CC=C6)O5)C=C4)C4=CC=C(C5=NC6=C(S5)C5=CC=CC=C5C5=C6C=CC=C5)C=C4)C=C3)C=CC2=C1	1.9994	2.3658	2.7641	847.1154316	817.541	0.226807953	-0.436094686	340.0208571	42.16	9	2	0	0	6
283	C1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=NC6=C(C=CC=C6)O5)C=C4)C4=CC=C(C5=NC6=C(O5)C5=CC=CC=C5C5=C6C=CC=C5)C=C4)C=C3)C=CC2=C1	2.0099	2.3657	2.7296	705.2416272	674.569	0.226864211	-0.436094686	315.912985	55.3	9	2	0	0	5
284	ClC1=CC=C2C(=C1)C1=CC(Cl)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC=CC=C34)=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC=CC=C34)=N2)S1	2.0214	2.3656	2.7303	848.0445131	827.677	0.192563441	-0.231940186	355.5831767	77.34	9	4	0	0	11
285	ClC1=CC=C2C(=C1)C1=CC(Cl)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=C(Br)C=C3C3=C4C=CC(Br)=C3)=NC(C3=NC4=C(S3)C3=CC=C(I)C=C3C3=C4C=CC(I)=C3)=N2)S1	2.0117	2.3653	2.7473	1255.658833	1241.293	0.192563441	-0.231940176	421.8419481	77.34	9	4	0	0	15
286	N#CC1=CC=C(N(C2=CC=C(C3=NC4=C(O3)C3=C(C=CC=C3)C3=CC=CC=C34)C=C2)C2=CC=C(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC=CC=C34)C=C2)C=C1	2.0022	2.3633	2.754	720.1983825	692.633	0.226864211	-0.43540916	319.1411111	65.95	9	2	0	0	6
287	C1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=NC6=C(O5)C5=CC=CC=C5C5=C6C=CC=C5)C=C4)C4=CC=C(C5=NC6=C(C=CC=C6)S5)C=C4)C=C3)C=CC2=C1	2.0048	2.3629	2.7401	721.2187836	690.637	0.226864211	-0.43540916	320.759019	42.16	9	2	0	0	5
288	ClC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC(Br)=C3)=NC(C3=NC4=C(S3)C3=CC=C(I)C=C3C3=C4C=CC(I)=C3)=N2)S1	2.0189	2.3627	2.7208	1143.787293	1125.936	0.192563441	-0.231940176	397.6711343	77.34	9	4	0	0	13
289	BrC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=CC=C6C=C(Br)C=CC6=C5)C=C4)C4=CC=C(C5=NC6=C(S5)C5=CC=CC=C5C5=C6C=CC=C5)C=C4)C=C3)C=CC2=C1	2.017	2.3622	2.713	886.0652942	856.472	0.124153376	-0.310504468	356.4801369	16.13	10	1	0	0	5
290	ClC1=CC2=C(C=C1)C1=C(SC(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=CC(Br)=CC=C45)=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(I)=C4)=N3)=N1)C1=CC=C(Cl)C=C21	2.021	2.361	2.7127	1051.851673	1034.485	0.192563441	-0.231940176	388.7125624	77.34	9	4	0	0	13
291	BrC1=CC2=C(C=C1)C1=C(SC(C3=NC(C4=NC5=C(S4)C4=CC=C(I)C=C4C4=C5C=CC(I)=C4)=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=CC(I)=CC=C45)=N3)=N1)C1=CC=C(Br)C=C21	2.0127	2.3608	2.7281	1313.633426	1297.291	0.192563441	-0.231940176	420.4972538	77.34	9	4	0	0	14
292	BrC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC=CC=C45)=N3)SC2=C1	2.0253	2.3607	2.7039	913.8226938	900.395	0.192563441	-0.232623517	331.215958	77.34	7	4	0	0	12
293	ClC1=CC=C2C(=C1)C1=CC(Cl)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=C(I)C=C3C3=C4C=CC(I)=C3)=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)=N2)S1	2.011	2.3603	2.7349	1099.837809	1081.485	0.192563441	-0.231940186	394.1068529	77.34	9	4	0	0	13
294	ClC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC(I)=C3)=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)=N2)S1	2.0223	2.3599	2.7084	939.9801334	919.128	0.192563441	-0.231940186	364.5417486	77.34	9	4	0	0	11
295	BrC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC(I)=C3)=NC(C3=NC4=C(S3)C3=CC=C(I)C=C3C3=C4C=CC(I)=C3)=N2)S1	2.0159	2.3593	2.7155	1235.722914	1217.387	0.192563441	-0.231940176	406.6297062	77.34	9	4	0	0	13
296	C1=CC=C2OC(C3=CC=C(N(C4=CC=C(C5=NC6=C(C=CC=C6)O5)C=C4)C4=CC=C(C5=NC6=C(C=CC=C6)S5)C=C4)C=C3)=NC2=C1	1.9904	2.3589	2.749	612.161997	588.522	0.226807953	-0.436094686	267.4096672	68.19	6	3	0	0	7
297	ClC1=CC=C2C(=C1)C1=C(C=CC=C1)C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC=CC=C34)=NC(C3=NC4=C(S3)C3=CC=C(Br)C=C3C3=CC(Br)=CC=C34)=N2)S1	2.0182	2.3588	2.7169	969.9045096	952.032	0.192563441	-0.231940186	373.0150057	77.34	9	4	0	0	12
298	BrC1=CC=C2C(=C1)C1=CC(Br)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC=CC=C34)=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC=CC=C34)=N2)S1	2.0165	2.3583	2.7207	935.9434819	916.579	0.192563441	-0.231940186	362.7117394	77.34	9	4	0	0	11
299	N#CC1=CC=C(N(C2=CC=C(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C2=CC=C(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	2.0066	2.3576	2.7145	704.2212261	676.565	0.226864211	-0.43540916	314.2950771	79.09	9	2	0	0	6
300	BrC1=CC=C2C(=C1)C1=C(C=CC=C1)C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=C(I)C=C3C3=CC(I)=CC=C34)=NC(C3=NC4=C(O3)C3=C(C=CC=C3)C3=CC=CC=C34)=N2)S1	2.0142	2.3569	2.7076	1093.849109	1074.415	0.265765777	-0.432842986	382.5218341	90.48	9	4	0	0	12
301	BrC1=CC=C2C(=C1)C1=CC(Br)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(O3)C3=C(C=CC=C3)C3=CC=CC=C34)=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC=CC=C34)=N2)S1	2.0143	2.3558	2.7104	919.9663255	900.511	0.265765777	-0.432842986	357.8657054	90.48	9	4	0	0	11
302	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=N3)SC2=C1	2.0201	2.355	2.6953	1025.694234	1015.752	0.192563441	-0.23262307	355.3867718	77.34	7	4	0	0	14
303	ClC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=CC=C(Cl)C=C4C4=C5C=CC(Cl)=C4)=NC(C4=NC5=C(S4)C4=CC=C(Br)C=C4C4=C5C=CC(Br)=C4)=N3)=NC2=C1	2.0243	2.355	2.6886	937.7952647	926.85	0.192563441	-0.232569545	348.258209	77.34	7	4	0	0	14
304	BrC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=CC=C6C=CC=CC6=C5)C=C4)C4=CC=C(C5=NC6=C(S5)C5=CC=CC=C5C5=C6C=CC=C5)C=C4)C=C3)C=CC2=C1	2.0129	2.3546	2.7044	808.1547822	776.568	0.124153376	-0.310504468	342.6125893	16.13	10	1	0	0	4
305	BrC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(Br)=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=N3)SC2=C1	2.0228	2.3529	2.6831	991.7332059	980.299	0.192563441	-0.232623517	345.0835056	77.34	7	4	0	0	13
306	BrC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC(I)=C3)=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)=N2)S1	2.0186	2.3529	2.696	983.9296178	963.579	0.192563441	-0.231940186	368.1060299	77.34	9	4	0	0	11
307	BrC1=CC=C2C(=C1)C1=CC(Br)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC(I)=CC=C34)=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC(I)=CC=C34)=N2)S1	2.014	2.3525	2.7014	1187.736778	1170.387	0.192563441	-0.231940176	401.2354157	77.34	9	4	0	0	13
308	IC1=CC=C(N(C2=CC=C(C3=NC4=C(O3)C3=C(C=CC=C3)C3=CC=CC=C34)C=C2)C2=CC=C(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC=CC=C34)C=C2)C=C1	1.9922	2.3523	2.7548	821.0997815	793.519	0.226864211	-0.43540916	327.6454274	42.16	9	2	0	0	6
309	ClC1=CC=C2C(=C1)C1=CC(Cl)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC(Br)=CC=C34)=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC(Br)=CC=C34)=N2)S1	2.0167	2.3523	2.6989	1003.865537	987.485	0.192563441	-0.231940175	383.3182719	77.34	9	4	0	0	13
310	BrC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=CC=C(Br)C=C4C4=C5C=CC(Br)=C4)=NC(C4=NC5=C(S4)C4=CC=C(I)C=C4C4=C5C=CC(I)=C4)=N3)SC2=C1	2.0142	2.3519	2.6946	1165.61599	1154.203	0.192563441	-0.232623517	369.7396342	77.34	7	4	0	0	14
311	BrC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(O3)C3=C(C=CC=C3)C3=CC=CC=C34)=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC=CC=C34)=N2)S1	2.0163	2.3515	2.6939	842.0558135	820.607	0.265765777	-0.432842986	343.9981578	90.48	9	4	0	0	10
312	ClC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=CC=C6C=C(I)C=CC6=C5)C=C4)C4=CC=C(C5=NC6=C(S5)C5=C(C=CC=C5)C5=CC=CC=C56)C=C4)C=C3)C=CC2=C1	2.0071	2.3515	2.7033	890.1019457	859.021	0.124153376	-0.310504468	358.3101461	16.13	10	1	0	0	5
313	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=CC=C(Cl)C=C4C4=C5C=CC(Cl)=C4)=NC(C4=NC5=C(S4)C4=CC=C(Br)C=C4C4=C5C=CC(Br)=C4)=N3)SC2=C1	2.018	2.3514	2.6894	937.7952647	926.85	0.192563441	-0.23262307	348.258209	77.34	7	4	0	0	14
314	ClC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC(Cl)=CC=C34)=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC=CC=C34)=N2)S1	2.0178	2.3512	2.6946	848.0445131	827.677	0.192563441	-0.231940186	355.5831767	77.34	9	4	0	0	11
315	BrC1=CC=C2C(=C1)C1=C(C=CC=C1)C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=C(I)C=C3C3=CC(I)=CC=C34)=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC(Br)=CC=C34)=N2)S1	2.0122	2.3509	2.7012	1187.736778	1170.387	0.192563441	-0.231940176	401.2354157	77.34	9	4	0	0	13
316	BrC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC(Br)=C3)=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC(I)=C3)=N2)S1	2.0188	2.3507	2.6873	1061.84013	1043.483	0.192563441	-0.231940176	381.9735776	77.34	9	4	0	0	12
317	BrC1=CC=C2C(=C1)C1=CC(Br)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC(I)=CC=C34)=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC=CC=C34)=N2)S1	2.0117	2.3506	2.7062	1061.84013	1043.483	0.192563441	-0.231940186	381.9735776	77.34	9	4	0	0	12
318	ClC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)=N2)S1	2.0164	2.3506	2.6968	814.0834854	792.224	0.192563441	-0.231940186	345.2799104	77.34	9	4	0	0	10
319	ClC1=CC=C2C(=C1)C1=CC(Cl)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=C(Cl)C=C3C3=C4C=CC(Cl)=C3)=NC(C3=NC4=C(S3)C3=CC=C(I)C=C3C3=C4C=CC(I)=C3)=N2)S1	2.0012	2.35	2.7265	1167.759864	1152.391	0.192563441	-0.231940176	414.7133854	77.34	9	4	0	0	15
320	IC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)=N2)S1	2.0147	2.3491	2.6934	906.0191057	883.675	0.192563441	-0.231940186	354.2384823	77.34	9	4	0	0	10
321	ClC1=CC=C2C(=C1)C1=CC(Cl)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(O3)C3=C(C=CC=C3)C3=CC=CC=C34)=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC(Br)=CC=C34)=N2)S1	2.0119	2.3488	2.6937	909.9778688	891.513	0.265765777	-0.432842986	364.6046903	90.48	9	4	0	0	12
322	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(Cl)=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=N3)C=CC2=C1	2.0357	2.3485	2.6302	896.8825672	881.356	0.192480795	-0.231940186	341.0949316	64.45	8	3	0	0	11
323	IC1=CC=C2C(=C1)C1=CC(I)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC=CC=C34)=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC=CC=C34)=N2)S1	2.0062	2.3475	2.7079	1031.915754	1010.579	0.192563441	-0.231940186	373.5003205	77.34	9	4	0	0	11
324	ClC1=CC=C2C(=C1)C1=CC(Cl)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(O3)C3=C(C=CC=C3)C3=CC=CC=C34)=NC(C3=NC4=C(S3)C3=C(C=C(Cl)C=C3)C3=CC(Cl)=CC=C34)=N2)S1	2.0062	2.3472	2.7027	899.989412	882.515	0.265765777	-0.432842986	371.3436751	90.48	9	4	0	0	13
325	ClC1=CC=C2C(=C1)C1=C(C=CC=C1)C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=C(C=C(I)C=C3)C3=CC(I)=CC=C34)=NC(C3=NC4=C(S3)C3=CC=C(I)C=C3C3=CC(I)=CC=C34)=N2)S1	2.0008	2.3461	2.7105	1317.670077	1299.84	0.192563441	-0.231940176	422.3272629	77.34	9	4	0	0	14
326	ClC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC(Br)=C3)=NC(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)=N2)S1	2.0142	2.3445	2.6756	876.0168411	856.06	0.265765777	-0.432842986	354.301424	90.48	9	4	0	0	11
327	BrC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=NC6=C(C=CC=C6)S5)C=C4)C4=CC=C(C5=NC6=C(C=CC=C6)S5)C=C4)C=C3)C=CC2=C1	1.9985	2.344	2.6941	715.0751519	690.521	0.124105151	-0.310504445	294.1092715	29.02	7	2	0	0	6
328	ClC1=CC=C2C(=C1)C1=C(C=CC=C1)C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC=CC=C34)=NC(C3=NC4=C(S3)C3=CC=C(I)C=C3C3=CC(I)=CC=C34)=N2)S1	2.0043	2.3435	2.7004	1065.876781	1046.032	0.192563441	-0.231940186	383.8035867	77.34	9	4	0	0	12
329	IC1=CC=C2C(=C1)C1=CC(I)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=C(C=C(I)C=C3)C3=CC(I)=CC=C34)=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC=CC=C34)=N2)S1	1.9976	2.3431	2.7105	1283.70905	1264.387	0.192563441	-0.231940186	412.0239967	77.34	9	4	0	0	13
330	ClC1=CC=C2C(=C1)C1=C(C=CC(Cl)=C1)C1=C2N=C(C2=NC(C3=NC4=CC=C(Br)C=C4S3)=NC(C3=NC4=C(S3)C3=C(C=C(Cl)C=C3)C3=CC(Cl)=CC=C34)=N2)S1	2.0122	2.3426	2.6759	893.8457803	882.399	0.192563441	-0.232623517	344.6939277	77.34	7	4	0	0	14
331	ClC1=CC=C2C(=C1)C1=CC(Cl)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=C(I)C=C3C3=C4C=CC(I)=C3)=NC(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)=N2)S1	1.9993	2.3416	2.6977	1083.860653	1065.417	0.265765777	-0.432842986	389.2608189	90.48	9	4	0	0	13
332	ClC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC(Br)=C3)=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC(I)=C3)=N2)S1	2.0123	2.3408	2.6728	1017.890645	999.032	0.192563441	-0.231940176	378.4092962	77.34	9	4	0	0	12
333	ClC1=CC=C2C(=C1)C1=C(C=CC=C1)C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC=CC=C34)=NC(C3=NC4=C(S3)C3=CC=C(Cl)C=C3C3=CC(Cl)=CC=C34)=N2)S1	2.0063	2.3401	2.689	882.0055407	863.13	0.192563441	-0.231940186	365.8864429	77.34	9	4	0	0	12
334	ClC1=CC=C(N(C2=CC=C(C3=NC4=C(C=CC=C4)S3)C=C2)C2=CC=C(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.9881	2.3401	2.7338	645.1100174	622.048	0.124153376	-0.310503419	278.1695605	29.02	7	2	0	0	6
335	ClC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC(Cl)=C3)=NC(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)=N2)S1	2.0104	2.3398	2.6707	832.0673567	811.609	0.265765777	-0.432842986	350.7371427	90.48	9	4	0	0	11
336	BrC1=CC=C2C(=C1)C1=C(C=CC(Br)=C1)C1=C2N=C(C2=NC(C3=NC4=CC=C(I)C=C4S3)=NC(C3=NC4=C(S3)C3=C(C=C(Br)C=C3)C3=CC(Br)=CC=C34)=N2)S1	2.0071	2.3387	2.6746	1117.629854	1107.203	0.192563441	-0.232623604	364.3453437	77.34	7	4	0	0	14
337	IC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(O3)C3=C(C=CC=C3)C3=CC=CC=C34)=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC=CC=C34)=N2)S1	2.0066	2.3386	2.6748	890.0419494	867.607	0.265765777	-0.432842986	349.3924483	90.48	9	4	0	0	10
338	BrC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=CC=C6C=C(I)C=CC6=C5)C=C4)C4=CC=C(C5=NC6=C(S5)C5=C(C=CC=C5)C5=CC=CC=C56)C=C4)C=C3)C=CC2=C1	1.9997	2.3382	2.6811	934.0514301	903.472	0.124153376	-0.310504468	361.8744275	16.13	10	1	0	0	5
339	IC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=NC6=C(C=CC=C6)O5)C=C4)C4=CC=C(C5=NC6=C(O5)C5=CC=CC=C5C5=C6C=CC=C5)C=C4)C=C3)C=CC2=C1	1.9925	2.338	2.6823	831.1382752	801.473	0.226864211	-0.436094686	335.1748231	55.3	9	2	0	0	6
340	ClC1=CC=C2C(=C1)C1=CC(Cl)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC(I)=CC=C34)=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC(I)=CC=C34)=N2)S1	2.0048	2.3376	2.6783	1099.837809	1081.485	0.192563441	-0.231940176	394.1068529	77.34	9	4	0	0	13
341	C1=CC2=C(C=C1)C1=C(OC(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC=CC=C45)=N3)=N1)C1=CC=CC=C21	2.007	2.3375	2.6734	764.1453014	740.703	0.265765777	-0.432842986	330.1306102	90.48	9	4	0	0	9
342	ClC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC(Cl)=CC=C34)=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC(Cl)=CC=C34)=N2)S1	2.0099	2.3374	2.6713	882.0055407	863.13	0.192563441	-0.231940172	365.8864429	77.34	9	4	0	0	12
343	ClC1=CC=C2C(=C1)C1=C(C=CC=C1)C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=C(I)C=C3C3=CC(I)=CC=C34)=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC(Cl)=CC=C34)=N2)S1	2.0014	2.3368	2.685	1099.837809	1081.485	0.192563441	-0.231940176	394.1068529	77.34	9	4	0	0	13
344	IC1=CC=C2C(=C1)C1=C(C=CC=C1)C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=C(C=C(I)C=C3)C3=CC(I)=CC=C34)=NC(C3=NC4=C(S3)C3=CC=C(I)C=C3C3=CC(I)=CC=C34)=N2)S1	1.9941	2.3365	2.6951	1409.605698	1391.291	0.192563441	-0.231940176	431.2858348	77.34	9	4	0	0	14
345	IC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=NC6=C(C=CC=C6)S5)C=C4)C4=CC=C(C5=NC6=C(C=CC=C6)S5)C=C4)C=C3)C=CC2=C1	1.9912	2.3359	2.684	763.0612878	737.521	0.124105151	-0.310504445	299.503562	29.02	7	2	0	0	6
346	BrC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC(Br)=C3)=NC(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)=N2)S1	2.009	2.3353	2.6606	919.9663255	900.511	0.265765777	-0.432842986	357.8657054	90.48	9	4	0	0	11
347	ClC1=CC=C2C(=C1)C1=C(C=CC=C1)C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=C(C=C(Br)C=C3)C3=CC(Br)=CC=C34)=NC(C3=NC4=CC=C(Br)C=C4S3)=N2)S1	2.0112	2.3353	2.6579	947.7837215	935.848	0.192563441	-0.232623517	341.5192242	77.34	7	4	0	0	13
348	IC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC(I)=CC=C34)=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC=CC=C34)=N2)S1	2.0058	2.3344	2.6676	1031.915754	1010.579	0.192563441	-0.231940186	373.5003205	77.34	9	4	0	0	11
349	ClC1=CC=C2C(=C1)C1=C(C=CC=C1)C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=C(C=C(Br)C=C3)C3=CC(Br)=CC=C34)=NC(C3=NC4=CC=C(I)C=C4S3)=N2)S1	2.008	2.3341	2.6594	995.7698574	982.848	0.192563441	-0.232623604	346.9135147	77.34	7	4	0	0	13
350	C1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=CC=C6C=CC=CC6=C5)C=C4)C4=CC=C(C5=NC6=C(S5)C5=CC=CC=C5C5=C6C=CC=C5)C=C4)C=C3)C=CC2=C1	2.0001	2.3341	2.6763	730.2442701	696.664	0.124153376	-0.310504468	328.7450417	16.13	10	1	0	0	3
351	BrC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=N3)=NC2=C1	2.0113	2.334	2.6572	1069.643718	1060.203	0.192563441	-0.232583051	358.9510532	77.34	7	4	0	0	14
352	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(Br)=C4)=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=N3)SC2=C1	2.0136	2.3337	2.652	791.9626974	776.04	0.192563441	-0.23262307	313.784129	77.34	7	4	0	0	11
353	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=CC=C(Br)C=C4C4=C5C=CC(Br)=C4)=NC(C4=NC5=C(S4)C4=CC=C(I)C=C4C4=C5C=CC(I)=C4)=N3)SC2=C1	2.0028	2.3335	2.6673	1121.666505	1109.752	0.192563441	-0.23262307	366.1753528	77.34	7	4	0	0	14
354	ClC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC=CC=C45)=N3)=NC2=C1	2.0118	2.3331	2.6576	869.8732094	855.944	0.192563441	-0.232569545	327.6516766	77.34	7	4	0	0	12
355	IC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=CC=C6C=CC=CC6=C5)C=C4)C4=CC=C(C5=NC6=C(S5)C5=CC=CC=C5C5=C6C=CC=C5)C=C4)C=C3)C=CC2=C1	1.9961	2.3327	2.6758	856.1409181	823.568	0.124153376	-0.310504468	348.0068799	16.13	10	1	0	0	4
356	C1=CC2=C(C=C1)C1=C(OC(C3=NC(C4=NC5=C(O4)C4=C(C=CC=C4)C4=CC=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC=CC=C45)=N3)=N1)C1=CC=CC=C21	2.0031	2.3325	2.6607	748.168145	724.635	0.265767059	-0.432842979	325.2845762	103.62	9	4	0	0	9
357	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(Br)=C4)=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=N3)SC2=C1	2.0088	2.3317	2.649	775.985541	759.972	0.265765777	-0.432842986	308.938095	90.48	7	4	0	0	11
358	BrC1=CC=C2C(=C1)C1=CC(Br)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=C(I)C=C3C3=C4C=CC(I)=C3)=NC(C3=NC4=C(S3)C3=CC=C(I)C=C3C3=C4C=CC(I)=C3)=N2)S1	1.9876	2.3314	2.6989	1439.530074	1424.195	0.192563441	-0.231940176	439.7590919	77.34	9	4	0	0	15
359	ClC1=CC=C2C(=C1)C1=C(C=CC(Cl)=C1)C1=C2N=C(C2=NC(C3=NC4=CC(Br)=CC=C4S3)=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC(Br)=CC=C34)=N2)S1	2.0157	2.3312	2.6391	903.8342371	891.397	0.192563441	-0.232583051	337.9549428	77.34	7	4	0	0	13
360	ClC1=CC=C2C(=C1)C1=C(C=CC(Cl)=C1)C1=C2N=C(C2=NC(C3=NC4=C(O3)C3=C(C=CC=C3)C3=CC=CC=C34)=NC(C3=NC4=CC=C(Br)C=C4S3)=N2)S1	2.0026	2.331	2.6601	809.9465686	795.425	0.265765777	-0.432842986	319.2413612	90.48	7	4	0	0	12
361	ClC1=CC2=C(C=C1)C1=C(SC(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(Br)=C4)=NC(C4=NC5=CC=C(Br)C=C5S4)=N3)=N1)C1=CC=CC=C21	2.0137	2.3308	2.6395	869.8732094	855.944	0.192563441	-0.232623517	327.6516766	77.34	7	4	0	0	12
362	ClC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC(I)=C3)=NC(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)=N2)S1	2.004	2.3307	2.6561	924.002977	903.06	0.265765777	-0.432842986	359.6957146	90.48	9	4	0	0	11
363	ClC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=N3)=NC2=C1	2.0086	2.3306	2.6535	1025.694234	1015.752	0.192563441	-0.232569545	355.3867718	77.34	7	4	0	0	14
364	ClC1=CC=C2C(=C1)C1=C(C=CC(Cl)=C1)C1=C2N=C(C2=NC(C3=NC4=CC=C(Br)C=C4S3)=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC(Br)=CC=C34)=N2)S1	2.0096	2.33	2.6452	903.8342371	891.397	0.192563441	-0.232623517	337.9549428	77.34	7	4	0	0	13
365	BrC1=CC=C(N(C2=CC=C(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C2=CC=C(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.9877	2.3297	2.6852	757.1364892	730.451	0.226864211	-0.43540916	317.4051029	55.3	9	2	0	0	6
366	ClC1=CC=C2C(=C1)C1=CC(Cl)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(O3)C3=C(C=CC=C3)C3=CC=CC=C34)=NC(C3=NC4=C(O3)C3=C(C=CC=C3)C3=CC=CC=C34)=N2)S1	1.9973	2.3292	2.6636	816.0902003	795.541	0.265767059	-0.432842979	345.8911087	103.62	9	4	0	0	11
367	IC1=CC=C2C(=C1)C1=CC(I)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(O3)C3=C(C=CC=C3)C3=CC=CC=C34)=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC=CC=C34)=N2)S1	1.9938	2.329	2.675	1015.938597	994.511	0.265765777	-0.432842986	368.6542865	90.48	9	4	0	0	11
368	BrC1=CC=C2C(=C1)C1=CC(Br)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=C(C=C(Br)C=C3)C3=CC(Br)=CC=C34)=NC(C3=NC4=C(C=CC=C4)S3)=N2)S1	2.0101	2.329	2.6415	991.7332059	980.299	0.192563441	-0.232624896	345.0835056	77.34	7	4	0	0	13
369	IC1=CC=C(N(C2=CC=C(C3=NC4=C(C=CC=C4)S3)C=C2)C2=CC=C(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.9797	2.3281	2.7142	737.0456378	713.499	0.124153376	-0.310503931	287.1281324	29.02	7	2	0	0	6
370	BrC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC=CC=C45)=N3)=NC2=C1	2.0093	2.3279	2.6482	913.8226938	900.395	0.192563441	-0.232583051	331.215958	77.34	7	4	0	0	12
371	ClC1=CC=C2C(=C1)C1=C(C=CC=C1)C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=C(C=C(Br)C=C3)C3=CC(Br)=CC=C34)=NC(C3=CC4=CC=C(Br)C=C4C=C3)=N2)S1	2.0217	2.3279	2.6023	940.8320516	925.807	0.192480795	-0.231940186	344.6592129	64.45	8	3	0	0	11
372	ClC1=CC=C2C(=C1)C1=C(C=CC(Cl)=C1)C1=C2N=C(C2=NC(C3=NC4=CC=C(I)C=C4S3)=NC(C3=NC4=C(S3)C3=C(C=C(Cl)C=C3)C3=CC(Cl)=CC=C34)=N2)S1	2.0004	2.3279	2.6574	941.8319162	929.399	0.192563441	-0.232623604	350.0882182	77.34	7	4	0	0	14
373	BrC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=CC=C(Br)C=C4C4=C5C=CC(Br)=C4)=NC(C4=NC5=C(S4)C4=CC=C(I)C=C4C4=C5C=CC(I)=C4)=N3)=NC2=C1	2.0035	2.3277	2.6517	1165.61599	1154.203	0.192563441	-0.232583051	369.7396342	77.34	7	4	0	0	14
374	IC1=CC=C2C(=C1)C1=C(C=CC=C1)C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC=CC=C34)=NC(C3=NC4=C(S3)C3=CC=C(I)C=C3C3=CC(I)=CC=C34)=N2)S1	1.9941	2.3276	2.6739	1157.812402	1137.483	0.192563441	-0.231940186	392.7621586	77.34	9	4	0	0	12
375	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=CC=C(Cl)C=C4C4=C5C=CC(Cl)=C4)=NC(C4=NC5=C(S4)C4=CC=C(Br)C=C4C4=C5C=CC(Br)=C4)=N3)C=CC2=C1	2.0184	2.3274	2.6074	930.8435948	916.809	0.192480795	-0.231940186	351.3981978	64.45	8	3	0	0	12
376	IC1=CC=C2C(=C1)C1=C(C=CC=C1)C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=C(I)C=C3C3=CC(I)=CC=C34)=NC(C3=NC4=C(O3)C3=C(C=CC=C3)C3=CC=CC=C34)=N2)S1	1.994	2.3273	2.6649	1141.835245	1121.415	0.265765777	-0.432842986	387.9161246	90.48	9	4	0	0	12
377	BrC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=NC6=C(C=CC=C6)O5)C=C4)C4=CC=C(C5=NC6=C(C=CC=C6)S5)C=C4)C=C3)C=CC2=C1	1.9929	2.3273	2.653	699.0979956	674.453	0.226807953	-0.436094686	289.2632375	42.16	7	2	0	0	6
378	BrC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC(I)=C3)=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC(I)=C3)=N2)S1	2.0024	2.3271	2.6529	1109.826266	1090.483	0.192563441	-0.231940176	387.3678681	77.34	9	4	0	0	12
379	BrC1=CC=C2C(=C1)C1=C(C=CC=C1)C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=C(Br)C=C3C3=CC(Br)=CC=C34)=NC(C3=NC4=C(C=CC=C4)O3)=N2)S1	2.0137	2.3266	2.6223	897.8455375	884.327	0.26572193	-0.433541018	326.369924	90.48	7	4	0	0	12
380	ClC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=CC=C6C=CC=CC6=C5)C=C4)C4=CC=C(C5=NC6=C(O5)C5=CC=CC=C5C5=C6C=CC=C5)C=C4)C=C3)C=CC2=C1	2.0061	2.3258	2.6223	748.2281414	716.049	0.226864211	-0.43540916	334.202274	29.27	10	1	0	0	4
381	N#CC1=CC=C(N(C2=CC=C(C3=NC4=C(C=CC=C4)O3)C=C2)C2=CC=C(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.988	2.3252	2.6714	620.1670824	596.545	0.226807953	-0.436094686	273.777782	65.95	7	2	0	0	6
382	BrC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=NC(C4=NC5=C(O4)C4=C(C=CC=C4)C4=CC=CC=C45)=N3)=NC2=C1	2.0033	2.3246	2.6442	897.8455375	884.327	0.265765777	-0.432842986	326.369924	90.48	7	4	0	0	12
383	C1=CC=C2OC(C3=CC=C(N(C4=CC=C(C5=NC6=C(C=CC=C6)O5)C=C4)C4=CC=C(C5=NC6=C(C=CC=C6)O5)C=C4)C=C3)=NC2=C1	1.9728	2.3244	2.6826	596.1848406	572.454	0.226807953	-0.436094686	262.5636332	81.33	6	3	0	0	7
384	BrC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=N3)SC2=C1	1.9987	2.3238	2.6454	1135.691614	1121.299	0.192563441	-0.232623517	361.2663771	77.34	7	4	0	0	13
385	N#CC1=CC=C(N(C2=CC=C(C3=NC4=C(C=CC=C4)S3)C=C2)C2=CC=C(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.9848	2.3236	2.6775	636.1442388	612.613	0.124153376	-0.310503685	278.623816	52.81	7	2	0	0	6
386	BrC1=CC=C2C(=C1)C1=CC(Br)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC(I)=CC=C34)=NC(C3=NC4=C(C=CC=C4)S3)=N2)S1	2.009	2.3234	2.6254	961.8088297	947.395	0.192563441	-0.232624896	336.6102485	77.34	7	4	0	0	12
387	C1=CC=C(N(C2=CC=C(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C2=CC=C(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.9784	2.3229	2.6913	679.2259772	650.547	0.226864211	-0.43540916	303.5375553	55.3	9	2	0	0	5
388	BrC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=N3)=NC2=C1	2.0084	2.3224	2.6276	1039.719342	1027.299	0.192563441	-0.232583051	350.4777961	77.34	7	4	0	0	13
389	BrC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=N3)SC2=C1	2.0031	2.3221	2.6349	1039.719342	1027.299	0.192563441	-0.232623517	350.4777961	77.34	7	4	0	0	13
390	ClC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=NC6=C(C=CC=C6)S5)C=C4)C4=CC=C(C5=NC6=C(C=CC=C6)S5)C=C4)C=C3)C=CC2=C1	1.9845	2.3219	2.6619	671.1256675	646.07	0.124105151	-0.310504445	290.5449901	29.02	7	2	0	0	6
391	BrC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC(I)=C3)=NC(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)=N2)S1	1.9988	2.3216	2.6414	967.9524614	947.511	0.265765777	-0.432842986	363.2599959	90.48	9	4	0	0	11
392	BrC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=N3)C=CC2=C1	2.0131	2.3208	2.5996	1062.692048	1050.162	0.192480795	-0.231940186	362.0910419	64.45	8	3	0	0	12
393	BrC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(Br)=C4)=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=N3)SC2=C1	2.0053	2.3206	2.6319	835.9121818	820.491	0.192563441	-0.232623517	317.3484104	77.34	7	4	0	0	11
394	BrC1=CC=C2C(=C1)C1=CC(Br)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=C(C=C(Br)C=C3)C3=CC(Br)=CC=C34)=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=N2)S1	1.9943	2.3203	2.6518	1243.526502	1234.107	0.192563441	-0.23258437	383.6071818	77.34	7	4	0	0	15
395	ClC1=CC=C2C(=C1)C1=C(C=CC(Cl)=C1)C1=C2N=C(C2=NC(C3=CC4=CC=C(Br)C=C4C=C3)=NC(C3=NC4=C(S3)C3=C(C=C(Cl)C=C3)C3=CC(Cl)=CC=C34)=N2)S1	2.0126	2.32	2.5983	886.8941104	872.358	0.192480795	-0.231940182	347.8339164	64.45	8	3	0	0	12
396	ClC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(Cl)=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=N3)=NC2=C1	2.0056	2.3199	2.6299	903.8342371	891.397	0.192563441	-0.232569545	337.9549428	77.34	7	4	0	0	13
397	ClC1=CC=C2C(=C1)C1=CC(Cl)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=C(Br)C=C3C3=C4C=CC(Br)=C3)=NC(C3=CC=C4C=CC=CC4=C3)=N2)S1	2.0186	2.3192	2.5853	896.8825672	881.356	0.192480795	-0.231940186	341.0949316	64.45	8	3	0	0	11
398	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(Cl)=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=C(Cl)C=C4)C4=CC(Cl)=CC=C45)=N3)SC2=C1	2.0009	2.3191	2.6342	815.9352682	802.495	0.192563441	-0.23262307	330.8263801	77.34	7	4	0	0	13
399	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(O4)C4=C(C=CC=C4)C4=CC=CC=C45)=N3)SC2=C1	1.9912	2.3188	2.6464	949.8683248	933.876	0.265765777	-0.432842986	333.5942236	90.48	7	4	0	0	12
400	ClC1=CC=C(N(C2=CC=C(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C2=CC=C(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.9801	2.3188	2.671	713.1870048	686	0.226864211	-0.43540916	313.8408215	55.3	9	2	0	0	6
401	IC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC(I)=CC=C34)=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC(I)=CC=C34)=N2)S1	1.9957	2.3188	2.6416	1157.812402	1137.483	0.192563441	-0.231940176	392.7621586	77.34	9	4	0	0	12
402	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(O4)C4=C(C=CC=C4)C4=CC=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC=CC=C45)=N3)SC2=C1	1.9989	2.3183	2.6336	698.0750289	680.068	0.265765777	-0.432842986	295.0705474	90.48	7	4	0	0	10
403	BrC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=CC=C6C=C(I)C=CC6=C5)C=C4)C4=CC=C(C5=NC6=C(O5)C5=C(C=CC=C5)C5=CC=CC=C56)C=C4)C=C3)C=CC2=C1	1.9955	2.3177	2.6172	918.0742737	887.404	0.226864211	-0.43540916	357.0283935	29.27	10	1	0	0	5
404	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(Cl)C=C4)C4=CC(Cl)=CC=C45)=NC(C4=NC5=C(O4)C4=C(C=CC=C4)C4=CC=CC=C45)=N3)SC2=C1	1.9941	2.3177	2.6412	765.9970842	750.974	0.265765777	-0.432842986	315.6770798	90.48	7	4	0	0	12
405	IC1=CC=C2C(=C1)C1=C(C=CC=C1)C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=C(I)C=C3C3=CC(I)=CC=C34)=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC(I)=CC=C34)=N2)S1	1.9881	2.3175	2.6539	1283.70905	1264.387	0.192563441	-0.231940176	412.0239967	77.34	9	4	0	0	13
406	ClC1=CC2=C(C=C1)C1=C(SC(C3=NC(C4=NC5=C(S4)C4=CC=C(Br)C=C4C4=C5C=CC(Br)=C4)=NC(C4=CC5=CC=C(Br)C=C5C=C4)=N3)=N1)C1=CC=C(Cl)C=C21	2.0111	2.3173	2.594	974.7930792	961.26	0.192480795	-0.231940186	354.9624792	64.45	8	3	0	0	12
407	ClC1=CC=C2C(=C1)C1=C(C=CC(Cl)=C1)C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC=CC=C34)=NC(C3=NC4=CC=C(I)C=C4S3)=N2)S1	1.9952	2.317	2.6414	873.9098609	858.493	0.192563441	-0.232623604	329.4816857	77.34	7	4	0	0	12
408	ClC1=CC=C2C(=C1)C1=C(C=CC=C1)C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=C(C=C(Cl)C=C3)C3=CC(Cl)=CC=C34)=NC(C3=NC4=CC=C(Br)C=C4S3)=N2)S1	1.999	2.3166	2.6313	859.8847527	846.946	0.192563441	-0.232623517	334.3906614	77.34	7	4	0	0	13
409	ClC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(Cl)=C4)=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(I)=C4)=N3)=NC2=C1	2.0076	2.3163	2.6124	873.9098609	858.493	0.192563441	-0.232569545	329.4816857	77.34	7	4	0	0	12
410	IC1=CC=C2C(=C1)C1=CC(I)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(O3)C3=C(C=CC=C3)C3=CC=CC=C34)=NC(C3=NC4=C(O3)C3=C(C=CC=C3)C3=CC=CC=C34)=N2)S1	1.9863	2.3163	2.6464	999.9614409	978.443	0.265767059	-0.432842979	363.8082524	103.62	9	4	0	0	11
411	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=NC(C4=NC5=C(O4)C4=C(C=CC=C4)C4=CC=CC=C45)=N3)SC2=C1	1.9932	2.3162	2.6394	853.896053	839.876	0.265765777	-0.432842986	322.8056426	90.48	7	4	0	0	12
412	BrC1=CC=C2C(=C1)C1=CC(Br)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=C(I)C=C3C3=C4C=CC(I)=C3)=NC(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)=N2)S1	1.9838	2.316	2.6583	1171.759621	1154.319	0.265765777	-0.432842986	396.3893817	90.48	9	4	0	0	13
413	N#CC1=CC=C(N(C2=CC=C(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C2=CC=C(C3=NC4=C(C=CC=C4)S3)C=C2)C=C1	1.9867	2.316	2.6391	620.1670824	596.545	0.226864211	-0.43540916	273.777782	65.95	7	2	0	0	6
414	ClC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(O3)C3=C(C=CC=C3)C3=CC=CC=C34)=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC=CC=C34)=N2)S1	1.9928	2.3158	2.6425	798.106329	776.156	0.265765777	-0.432842986	340.4338764	90.48	9	4	0	0	10
415	BrC1=CC=C2C(=C1)C1=C(C=CC(Br)=C1)C1=C2N=C(C2=NC(C3=CC4=CC=C(I)C=C4C=C3)=NC(C3=NC4=C(S3)C3=C(C=C(Br)C=C3)C3=CC(Br)=CC=C34)=N2)S1	2.0067	2.3153	2.5954	1110.678184	1097.162	0.192480795	-0.231940186	367.4853324	64.45	8	3	0	0	12
416	BrC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=N3)SC2=C1	1.9987	2.3152	2.6328	758.0016697	740.587	0.192563441	-0.232623517	303.4808628	77.34	7	4	0	0	10
417	BrC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(Br)=C4)=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=N3)=NC2=C1	2.0064	2.3152	2.618	835.9121818	820.491	0.192563441	-0.232583051	317.3484104	77.34	7	4	0	0	11
418	ClC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=NC6=C(C=CC=C6)O5)C=C4)C4=CC=C(C5=NC6=C(O5)C5=CC=CC=C5C5=C6C=CC=C5)C=C4)C=C3)C=CC2=C1	1.9783	2.3147	2.6492	739.2026549	710.022	0.226864211	-0.436094686	326.2162512	55.3	9	2	0	0	6
419	ClC1=CC=C2C(=C1)C1=C(C=CC=C1)C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=C(C=C(Br)C=C3)C3=CC(Br)=CC=C34)=NC(C3=NC4=CC(Br)=CC=C4S3)=N2)S1	2.0029	2.3145	2.62	947.7837215	935.848	0.192563441	-0.232583051	341.5192242	77.34	7	4	0	0	13
420	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=N3)C=CC2=C1	2.0096	2.3144	2.5898	1018.742564	1005.711	0.192480795	-0.231940186	358.5267606	64.45	8	3	0	0	12
421	BrC1=CC=C2N=C(C3=NC(C4=NC5=C(O4)C4=C(C=CC=C4)C4=CC=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC=CC=C45)=N3)SC2=C1	1.9961	2.3141	2.6277	742.0245133	724.519	0.265765777	-0.432842986	298.6348288	90.48	7	4	0	0	10
422	ClC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(Br)=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=N3)=NC2=C1	2.002	2.3138	2.6199	947.7837215	935.848	0.192563441	-0.232569545	341.5192242	77.34	7	4	0	0	13
423	ClC1=CC=C2C(=C1)C1=CC(Cl)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=C(Br)C=C3C3=C4C=CC(Br)=C3)=NC(C3=NC4=C(C=CC=C4)S3)=N2)S1	2.0004	2.3137	2.6187	903.8342371	891.397	0.192563441	-0.232624896	337.9549428	77.34	7	4	0	0	13
424	ClC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=C(Cl)C=C4)C4=CC(Cl)=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC=CC=C45)=N3)=NC2=C1	1.9992	2.3137	2.6298	781.9742406	767.042	0.192563441	-0.232569545	320.5231138	77.34	7	4	0	0	12
425	BrC1=CC=C2C(=C1)C1=CC(Br)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC=CC=C34)=NC(C3=NC4=C(C=CC=C4)S3)=N2)S1	2.0025	2.3134	2.6157	835.9121818	820.491	0.192563441	-0.232624896	317.3484104	77.34	7	4	0	0	11
426	ClC1=CC=C2C(=C1)C1=C(C=CC(Cl)=C1)C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC=CC=C34)=NC(C3=NC4=CC=C(Br)C=C4S3)=N2)S1	1.9947	2.3132	2.6343	825.923725	811.493	0.192563441	-0.232623517	324.0873952	77.34	7	4	0	0	12
427	BrC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)=NC(C3=NC4=C(C=CC=C4)S3)=N2)S1	2.007	2.3131	2.6055	758.0016697	740.587	0.192563441	-0.232624896	303.4808628	77.34	7	4	0	0	10
428	BrC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=CC=C6C=C(Br)C=CC6=C5)C=C4)C4=CC=C(C5=NC6=C(C=CC=C6)S5)C=C4)C=C3)C=CC2=C1	2.002	2.3126	2.5924	786.0339941	760.384	0.124105151	-0.310504468	311.1168079	16.13	8	1	0	0	5
429	C1=CC=C(N(C2=CC=C(C3=NC4=C(C=CC=C4)O3)C=C2)C2=CC=C(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.9691	2.311	2.6901	595.1718334	570.527	0.226807953	-0.436094686	263.0202602	42.16	7	2	0	0	5
430	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(Cl)=C4)=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=N3)SC2=C1	1.9982	2.311	2.6205	748.0132129	731.589	0.192563441	-0.23262307	310.2198476	77.34	7	4	0	0	11
431	IC1=CC=C2C(=C1)C1=CC(I)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=C(C=C(I)C=C3)C3=CC(I)=CC=C34)=NC(C3=NC4=C(S3)C3=C(C=C(I)C=C3)C3=CC(I)=CC=C34)=N2)S1	1.9712	2.3108	2.6724	1535.502346	1518.195	0.192563441	-0.231940176	450.5476729	77.34	9	4	0	0	15
432	ClC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=CC=C(Br)C=C4C4=C5C=CC(Br)=C4)=NC(C4=NC5=C(S4)C4=CC=C(I)C=C4C4=C5C=CC(I)=C4)=N3)=NC2=C1	1.9921	2.3107	2.6282	1121.666505	1109.752	0.192563441	-0.232569545	366.1753528	77.34	7	4	0	0	14
433	BrC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=CC=C6C=CC=CC6=C5)C=C4)C4=CC=C(C5=NC6=C(O5)C5=CC=CC=C5C5=C6C=CC=C5)C=C4)C=C3)C=CC2=C1	1.9953	2.3105	2.6021	792.1776258	760.5	0.226864211	-0.43540916	337.7665553	29.27	10	1	0	0	4
434	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=N3)SC2=C1	1.9959	2.3101	2.6245	714.0521853	696.136	0.192563441	-0.23262307	299.9165814	77.34	7	4	0	0	10
435	BrC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(I)=C4)=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=N3)SC2=C1	1.9967	2.3098	2.6173	883.8983177	867.491	0.192563441	-0.232623517	322.7427009	77.34	7	4	0	0	11
436	BrC1=CC2=C(C=C1)C1=C(SC(C3=NC(C4=NC5=C(S4)C4=CC=C(I)C=C4C4=C5C=CC(I)=C4)=NC(C4=NC5=CC=C(I)C=C5S4)=N3)=N1)C1=CC=C(Br)C=C21	1.9851	2.3097	2.635	1213.602126	1201.203	0.192563441	-0.232623604	375.1339247	77.34	7	4	0	0	14
437	BrC1=CC=C2C(=C1)C1=C(C=CC(Br)=C1)C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC=CC=C34)=NC(C3=NC4=CC=C(I)C=C4S3)=N2)S1	1.99	2.3094	2.6315	961.8088297	947.395	0.192563441	-0.232623604	336.6102485	77.34	7	4	0	0	12
438	ClC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(Br)=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(Br)=CC=C45)=N3)=NC2=C1	2.0047	2.3093	2.6015	869.8732094	855.944	0.192563441	-0.232569545	327.6516766	77.34	7	4	0	0	12
439	ClC1=CC2=C(C=C1)C1=C(SC(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=CC=C(Br)C=C5S4)=N3)=N1)C1=CC=CC=C21	1.997	2.3092	2.6175	791.9626974	776.04	0.192563441	-0.232623517	313.784129	77.34	7	4	0	0	11
440	BrC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC(Br)=C3)=NC(C3=NC4=C(C=CC=C4)S3)=N2)S1	2.0068	2.3089	2.5924	835.9121818	820.491	0.192563441	-0.232624896	317.3484104	77.34	7	4	0	0	11
441	BrC1=CC=C2C(=C1)C1=C(C=CC(Br)=C1)C1=C2N=C(C2=NC(C3=NC4=CC=C(I)C=C4S3)=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC(I)=CC=C34)=N2)S1	1.992	2.3088	2.6189	1087.705478	1074.299	0.192563441	-0.232623604	355.8720866	77.34	7	4	0	0	13
442	BrC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(Br)=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=N3)SC2=C1	1.9905	2.3086	2.6226	1087.705478	1074.299	0.192563441	-0.232623517	355.8720866	77.34	7	4	0	0	13
443	IC1=CC=C(N(C2=CC=C(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C2=CC=C(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.973	2.3083	2.6535	805.1226251	777.451	0.226864211	-0.43540916	322.7993934	55.3	9	2	0	0	6
444	BrC1=CC=C2C(=C1)C1=CC(Br)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=C(I)C=C3C3=C4C=CC(I)=C3)=NC(C3=NC4=C(C=CC=C4)S3)=N2)S1	1.9929	2.3083	2.6152	1087.705478	1074.299	0.192563441	-0.232624896	355.8720866	77.34	7	4	0	0	13
445	BrC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=CC=C6C=CC=CC6=C5)C=C4)C4=CC=C(C5=NC6=C(C=CC=C6)S5)C=C4)C=C3)C=CC2=C1	2.0013	2.308	2.5837	708.123482	680.48	0.124105151	-0.310504468	297.2492603	16.13	8	1	0	0	4
446	BrC1=CC=C2C(=C1)C1=CC(Br)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC(I)=CC=C34)=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=N2)S1	1.9905	2.3078	2.6212	1213.602126	1201.203	0.192563441	-0.23258437	375.1339247	77.34	7	4	0	0	14
447	ClC1=CC=C2C(=C1)C1=C(C=CC=C1)C1=C2N=C(C2=NC(C3=NC4=C(C=CC=C4)S3)=NC(C3=NC4=C(S3)C3=CC=C(Br)C=C3C3=CC(Br)=CC=C34)=N2)S1	2.0011	2.3078	2.6008	869.8732094	855.944	0.192563441	-0.232624896	327.6516766	77.34	7	4	0	0	12
448	BrC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(Br)=C4)=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=N3)SC2=C1	1.9935	2.3077	2.6137	819.9350254	804.423	0.265765777	-0.432842986	312.5023764	90.48	7	4	0	0	11
449	BrC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(Br)=C4)=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=N3)C=CC2=C1	2.011	2.3072	2.5703	828.9605119	810.45	0.192480795	-0.231940196	320.4883991	64.45	8	3	0	0	9
450	ClC1=CC2=C(C=C1)C1=C(SC(C3=NC(C4=NC5=C(S4)C4=CC=C(Br)C=C4C4=C5C=CC(Br)=C4)=NC(C4=NC5=CC=C(I)C=C5S4)=N3)=N1)C1=CC=C(Cl)C=C21	1.987	2.3072	2.6276	1029.730885	1018.301	0.192563441	-0.232623604	357.2167809	77.34	7	4	0	0	14
451	ClC1=CC=C2C(=C1)C1=C(C=CC(Cl)=C1)C1=C2N=C(C2=NC(C3=NC4=CC=C(I)C=C4S3)=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC(Br)=CC=C34)=N2)S1	1.9923	2.3071	2.6155	951.820373	938.397	0.192563441	-0.232623604	343.3492333	77.34	7	4	0	0	13
452	BrC1=CC=C(N(C2=CC=C(C3=NC4=C(C=CC=C4)O3)C=C2)C2=CC=C(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.9724	2.3067	2.6642	673.0823455	650.431	0.226807953	-0.436094686	276.8878078	42.16	7	2	0	0	6
453	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(Cl)C=C4)C4=CC(Cl)=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=C(Cl)C=C4)C4=CC(Cl)=CC=C45)=N3)SC2=C1	1.9894	2.3067	2.6234	849.8962959	837.948	0.192563441	-0.23262307	341.1296463	77.34	7	4	0	0	14
454	BrC1=CC=C2C(=C1)C1=C(C=CC=C1)C1=C2N=C(C2=NC(C3=NC4=C(C=CC=C4)S3)=NC(C3=NC4=C(S3)C3=CC=C(Br)C=C3C3=CC(Br)=CC=C34)=N2)S1	2.0006	2.3061	2.5972	913.8226938	900.395	0.192563441	-0.232624896	331.215958	77.34	7	4	0	0	12
455	BrC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC=CC=C45)=N3)C=CC2=C1	2.0056	2.3059	2.5768	906.8710239	890.354	0.192480795	-0.231940196	334.3559467	64.45	8	3	0	0	10
456	ClC1=CC=C2C(=C1)C1=CC(Cl)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC=CC=C34)=NC(C3=NC4=C(C=CC=C4)S3)=N2)S1	1.9974	2.3055	2.6039	748.0132129	731.589	0.192563441	-0.232624896	310.2198476	77.34	7	4	0	0	11
457	C1=CC=C2C(=C1)C1=C(C=CC=C1)C1=C2N=C(C2=NC(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)=NC(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)=N2)O1	1.9853	2.3052	2.6148	732.1909886	708.567	0.26576834	-0.432842972	320.4385422	116.76	9	4	0	0	9
458	BrC1=CC=C2C(=C1)C1=CC(Br)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(O3)C3=C(C=CC=C3)C3=CC=CC=C34)=NC(C3=NC4=C(C=CC=C4)S3)=N2)S1	1.9951	2.3051	2.5999	819.9350254	804.423	0.265765777	-0.432842986	312.5023764	90.48	7	4	0	0	11
459	ClC1=CC2=C(C=C1)C1=C(SC(C3=NC(C4=NC5=C(S4)C4=CC=C(Br)C=C4C4=C5C=CC(Br)=C4)=NC(C4=NC5=CC(Br)=CC=C5S4)=N3)=N1)C1=CC=C(Cl)C=C21	1.9927	2.3047	2.6138	981.7447491	971.301	0.192563441	-0.232583051	351.8224904	77.34	7	4	0	0	14
460	ClC1=CC2=C(C=C1)C1=C(SC(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(Br)=C4)=NC(C4=CC5=CC=C(Br)C=C5C=C4)=N3)=N1)C1=CC=CC=C21	2.0105	2.3043	2.5616	862.9215395	845.903	0.192480795	-0.231940186	330.7916653	64.45	8	3	0	0	10
461	BrC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=N3)C=CC2=C1	2.0045	2.3039	2.5695	1032.767672	1017.258	0.192480795	-0.231940186	353.6177848	64.45	8	3	0	0	11
462	ClC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=CC=C6C=C(Cl)C=CC6=C5)C=C4)C4=CC=C(C5=NC6=C(O5)C5=CC=CC=C5C5=C6C=CC=C5)C=C4)C=C3)C=CC2=C1	1.9896	2.3033	2.5924	782.189169	751.502	0.226864211	-0.43540916	344.5055402	29.27	10	1	0	0	5
463	ClC1=CC=C2C(=C1)C1=CC(Cl)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=C(C=C(Cl)C=C3)C3=CC(Cl)=CC=C34)=NC(C3=NC4=C(C=CC=C4)S3)=N2)S1	1.9937	2.3032	2.6034	815.9352682	802.495	0.192563441	-0.232624896	330.8263801	77.34	7	4	0	0	13
464	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=CC=C(Cl)C=C4C4=C5C=CC(Cl)=C4)=NC(C4=NC5=C(S4)C4=CC=C(I)C=C4C4=C5C=CC(I)=C4)=N3)SC2=C1	1.9832	2.303	2.6224	1033.767537	1020.85	0.192563441	-0.23262307	359.0467901	77.34	7	4	0	0	14
465	IC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)=NC(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)=N2)S1	1.9846	2.303	2.6137	874.064793	851.539	0.265767059	-0.432842979	344.5464143	103.62	9	4	0	0	10
466	BrC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(O4)C4=C(C=CC=C4)C4=CC=CC=C45)=N3)SC2=C1	1.9808	2.303	2.6233	993.8178093	978.327	0.265765777	-0.432842986	337.158505	90.48	7	4	0	0	12
467	ClC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=NC6=C(C=CC=C6)O5)C=C4)C4=CC=C(C5=NC6=C(C=CC=C6)S5)C=C4)C=C3)C=CC2=C1	1.9776	2.303	2.6176	655.1485111	630.002	0.226807953	-0.436094686	285.6989561	42.16	7	2	0	0	6
468	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(Br)=C4)=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(I)=C4)=N3)SC2=C1	1.995	2.3028	2.5979	917.8593453	902.944	0.192563441	-0.23262307	333.0459671	77.34	7	4	0	0	12
469	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=N3)C=CC2=C1	2.0043	2.3028	2.5672	988.8181875	972.807	0.192480795	-0.231940186	350.0535035	64.45	8	3	0	0	11
470	BrC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(Br)=C4)=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=N3)=NC2=C1	1.9947	2.3026	2.6001	819.9350254	804.423	0.265765777	-0.432842986	312.5023764	90.48	7	4	0	0	11
471	BrC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=CC=C(Br)C=C4C4=C5C=CC(Br)=C4)=NC(C4=NC5=C(S4)C4=CC=C(I)C=C4C4=C5C=CC(I)=C4)=N3)C=CC2=C1	1.9976	2.3023	2.5771	1158.66432	1144.162	0.192480795	-0.231940186	372.879623	64.45	8	3	0	0	12
472	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=N3)SC2=C1	1.9905	2.3022	2.6059	995.7698574	982.848	0.192563441	-0.23262307	346.9135147	77.34	7	4	0	0	13
473	BrC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=N2)S1	1.9896	2.3019	2.612	1009.794966	994.395	0.192563441	-0.23258437	342.004539	77.34	7	4	0	0	12
474	BrC1=CC=C2C(=C1)C1=CC(Br)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC=CC=C34)=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=N2)S1	1.9845	2.3017	2.6235	1087.705478	1074.299	0.192563441	-0.23258437	355.8720866	77.34	7	4	0	0	13
475	BrC1=CC2=C(C=C1)C1=C(SC(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=CC=C(I)C=C5S4)=N3)=N1)C1=CC=CC=C21	1.99	2.3014	2.6081	883.8983177	867.491	0.192563441	-0.232623604	322.7427009	77.34	7	4	0	0	11
476	C1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=N3)=NC2=C1	1.9967	2.3014	2.5972	680.0911576	660.683	0.192563441	-0.232624896	289.6133152	77.34	7	4	0	0	9
477	ClC1=CC=C2SC(C3=NC(C4=NC5=C(O4)C4=C(C=CC=C4)C4=CC=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC=CC=C45)=N3)=NC2=C1	1.9922	2.3014	2.6028	698.0750289	680.068	0.265765777	-0.432842986	295.0705474	90.48	7	4	0	0	10
478	ClC1=CC=C2C(=C1)C1=C(C=CC=C1)C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=C(C=C(Br)C=C3)C3=CC(Br)=CC=C34)=NC(C3=CC4=CC=C(I)C=C4C=C3)=N2)S1	2.0012	2.3011	2.5685	988.8181875	972.807	0.192480795	-0.231940186	350.0535035	64.45	8	3	0	0	11
479	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(Br)=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=N3)C=CC2=C1	2.0041	2.3	2.5624	940.8320516	925.807	0.192480795	-0.231940186	344.6592129	64.45	8	3	0	0	11
480	C1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=NC6=C(C=CC=C6)O5)C=C4)C4=CC=C(C5=NC6=C(C=CC=C6)S5)C=C4)C=C3)C=CC2=C1	1.976	2.2998	2.6151	621.1874835	594.549	0.226807953	-0.436094686	275.3956899	42.16	7	2	0	0	5
481	BrC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC(I)=C3)=NC(C3=NC4=C(C=CC=C4)S3)=N2)S1	1.9987	2.2992	2.5797	883.8983177	867.491	0.192563441	-0.232624896	322.7427009	77.34	7	4	0	0	11
482	BrC1=CC=C2C(=C1)C1=CC(Br)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=C(I)C=C3C3=C4C=CC(I)=C3)=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=N2)S1	1.9771	2.299	2.6246	1339.498774	1328.107	0.192563441	-0.23258437	394.3957629	77.34	7	4	0	0	15
483	ClC1=CC=C2C(=C1)C1=C(C=CC=C1)C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=C(C=C(Cl)C=C3)C3=CC(Cl)=CC=C34)=NC(C3=CC4=CC=C(I)C=C4C=C3)=N2)S1	1.9997	2.2987	2.5648	900.9192186	883.905	0.192480795	-0.231940182	342.9249407	64.45	8	3	0	0	11
484	BrC1=CC=C2C(=C1)C1=CC(Br)=CC=C1C1=C2N=C(C2=NC(C3=CC=C4C=CC=CC4=C3)=NC(C3=NC4=C(S3)C3=C(C=C(Br)C=C3)C3=CC(Br)=CC=C34)=N2)S1	2.0046	2.2986	2.5576	984.781536	970.258	0.192480795	-0.231940186	348.2234943	64.45	8	3	0	0	11
485	IC1=CC=C2N=C(C3=NC(C4=NC5=C(O4)C4=C(C=CC=C4)C4=CC=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC=CC=C45)=N3)SC2=C1	1.9839	2.2984	2.6063	790.0106492	771.519	0.265765777	-0.432842986	304.0291193	90.48	7	4	0	0	10
486	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=NC(C4=NC5=C(O4)C4=C(C=CC=C4)C4=CC=CC=C45)=N3)C=CC2=C1	2	2.2981	2.5637	846.9443831	829.835	0.265764317	-0.432842993	325.9456313	77.59	8	3	0	0	10
487	ClC1=CC=C2C(=C1)C1=C(C=CC(Cl)=C1)C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC=CC=C34)=NC(C3=NC4=CC(Br)=CC=C4S3)=N2)S1	1.9897	2.2979	2.6049	825.923725	811.493	0.192563441	-0.232583051	324.0873952	77.34	7	4	0	0	12
488	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=N3)SC2=C1	1.9824	2.2974	2.6022	682.0978725	664	0.265767059	-0.432842979	290.2245134	103.62	7	4	0	0	10
489	IC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=N3)SC2=C1	1.9845	2.2972	2.6095	805.9878056	787.587	0.192563441	-0.232623604	308.8751533	77.34	7	4	0	0	10
490	BrC1=CC=C(N(C2=CC=C(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C2=CC=C(C3=NC4=C(C=CC=C4)S3)C=C2)C=C1	1.9701	2.2972	2.6318	673.0823455	650.431	0.226864211	-0.43540916	276.8878078	42.16	7	2	0	0	6
491	ClC1=CC2=C(C=C1)C1=C(SC(C3=NC(C4=NC5=C(S4)C4=CC=C(I)C=C4C4=C5C=CC(I)=C4)=NC(C4=NC5=CC(Br)=CC=C5S4)=N3)=N1)C1=CC=C(Cl)C=C21	1.9841	2.297	2.6059	1077.717021	1065.301	0.192563441	-0.232583051	362.6110715	77.34	7	4	0	0	14
492	ClC1=CC2=C(C=C1)C1=C(SC(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=CC(Br)=CC=C5S4)=N3)=N1)C1=CC=CC=C21	1.9938	2.2969	2.5935	791.9626974	776.04	0.192563441	-0.232583051	313.784129	77.34	7	4	0	0	11
493	IC1=CC=C2C(=C1)C1=C(C=CC=C1)C1=C2N=C(C2=NC(C3=NC4=C(C=CC=C4)S3)=NC(C3=NC4=C(S3)C3=CC=C(I)C=C3C3=CC(I)=CC=C34)=N2)S1	1.9892	2.2968	2.5882	1057.781102	1041.395	0.192563441	-0.232624896	347.3988295	77.34	7	4	0	0	12
494	BrC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(Br)=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=N3)=NC2=C1	1.9877	2.2965	2.5973	1087.705478	1074.299	0.192563441	-0.232583051	355.8720866	77.34	7	4	0	0	13
495	ClC1=CC=C2C(=C1)C1=C(C=CC=C1)C1=C2N=C(C2=NC(C3=NC4=C(C=CC=C4)S3)=NC(C3=NC4=C(S3)C3=CC=C(I)C=C3C3=CC(I)=CC=C34)=N2)S1	1.9895	2.2964	2.5891	965.8454812	949.944	0.192563441	-0.232624896	338.4402576	77.34	7	4	0	0	12
496	C1=CC=C(N(C2=CC=C(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C2=CC=C(C3=NC4=C(C=CC=C4)S3)C=C2)C=C1	1.9638	2.2964	2.6483	595.1718334	570.527	0.226864211	-0.43540916	263.0202602	42.16	7	2	0	0	5
497	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(Cl)C=C4)C4=CC(Cl)=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC=CC=C45)=N3)C=CC2=C1	1.9999	2.2962	2.5624	775.0225707	757.001	0.192480795	-0.231940196	323.6631026	64.45	8	3	0	0	10
498	IC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)=NC(C3=NC4=C(C=CC=C4)S3)=N2)S1	1.994	2.2961	2.5827	805.9878056	787.587	0.192563441	-0.232624896	308.8751533	77.34	7	4	0	0	10
499	ClC1=CC=C(N(C2=CC=C(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C2=CC=C(C3=NC4=C(C=CC=C4)S3)C=C2)C=C1	1.9687	2.2957	2.6308	629.1328611	605.98	0.226864211	-0.43540916	273.3235265	42.16	7	2	0	0	6
500	ClC1=CC=C2C(=C1)C1=C(C=CC(Cl)=C1)C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC=CC=C34)=NC(C3=CC4=CC=C(Br)C=C4C=C3)=N2)S1	1.9988	2.2957	2.5626	818.9720551	801.452	0.192480795	-0.231940196	327.227384	64.45	8	3	0	0	10
501	BrC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(I)=CC=C45)=N3)SC2=C1	1.9884	2.2955	2.5888	1009.794966	994.395	0.192563441	-0.232623517	342.004539	77.34	7	4	0	0	12
502	BrC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC=CC=C45)=N3)C=CC2=C1	1.995	2.2955	2.5657	1002.843296	984.354	0.192480795	-0.231940196	345.1445278	64.45	8	3	0	0	10
503	BrC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC=CC=C45)=N3)SC2=C1	1.9796	2.2954	2.6119	1009.794966	994.395	0.192563441	-0.232623517	342.004539	77.34	7	4	0	0	12
504	ClC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=N3)=NC2=C1	1.9782	2.2949	2.6092	1217.638777	1203.752	0.192563441	-0.232569545	376.9639339	77.34	7	4	0	0	14
505	ClC1=CC=C2C(=C1)C1=C(C=CC=C1)C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=C(Br)C=C3C3=CC(Br)=CC=C34)=NC(C3=NC4=C(C=CC=C4)O3)=N2)S1	1.9924	2.2948	2.5787	853.896053	839.876	0.26572193	-0.433541018	322.8056426	90.48	7	4	0	0	12
506	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC=CC=C45)=N3)SC2=C1	1.9793	2.2946	2.6105	965.8454812	949.944	0.192563441	-0.23262307	338.4402576	77.34	7	4	0	0	12
507	ClC1=CC=C2C(=C1)C1=C(C=CC=C1)C1=C2N=C(C2=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=NC(C3=NC4=C(S3)C3=CC=C(Cl)C=C3C3=CC(Cl)=CC=C34)=N2)S1	1.982	2.2944	2.6041	1033.767537	1020.85	0.192563441	-0.23258437	359.0467901	77.34	7	4	0	0	14
508	BrC1=CC=C2C(=C1)C1=CC(Br)=CC=C1C1=C2N=C(C2=NC(C3=CC=C4C=CC=CC4=C3)=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC=CC=C34)=N2)S1	2.0041	2.2943	2.5488	828.9605119	810.45	0.192480795	-0.231940196	320.4883991	64.45	8	3	0	0	9
509	BrC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=CC=C(Br)C=C4C4=C5C=CC(Br)=C4)=NC(C4=NC5=C(C=C(I)C=C5)S4)=N3)SC2=C1	1.9959	2.2942	2.5627	939.6880417	931.211	0.192563441	-0.232623604	305.114467	77.34	5	4	0	0	13
510	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC=CC=C45)=N3)C=CC2=C1	1.9981	2.2936	2.559	862.9215395	845.903	0.192480795	-0.231940196	330.7916653	64.45	8	3	0	0	10
511	ClC1=CC=C2C(=C1)C1=CC(Cl)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=C(Br)C=C3C3=C4C=CC(Br)=C3)=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=N2)S1	1.9774	2.2936	2.6119	1155.627533	1145.205	0.192563441	-0.23258437	376.4786191	77.34	7	4	0	0	15
512	ClC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(Br)=C4)=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=N3)=NC2=C1	1.9915	2.2935	2.5884	791.9626974	776.04	0.192563441	-0.232569545	313.784129	77.34	7	4	0	0	11
513	BrC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC=CC=C45)=N3)=NC2=C1	1.9827	2.2929	2.6008	1009.794966	994.395	0.192563441	-0.232583051	342.004539	77.34	7	4	0	0	12
514	ClC1=CC=C2C(=C1)C1=C(C=CC=C1)C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=C(C=C(Cl)C=C3)C3=CC(Cl)=CC=C34)=NC(C3=CC4=CC=C(Br)C=C4C=C3)=N2)S1	1.9985	2.2928	2.5537	852.9330827	836.905	0.192480795	-0.231940182	337.5306502	64.45	8	3	0	0	11
515	BrC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=N3)C=CC2=C1	1.9995	2.2925	2.5547	751.0499998	730.546	0.192480795	-0.231940196	306.6208515	64.45	8	3	0	0	8
516	ClC1=CC2=C(C=C1)C1=C(SC(C3=NC(C4=NC5=C(S4)C4=CC=C(I)C=C4C4=C5C=CC(I)=C4)=NC(C4=CC5=CC=C(Br)C=C5C=C4)=N3)=N1)C1=CC=C(Cl)C=C21	1.9908	2.2923	2.5633	1070.765351	1055.26	0.192480795	-0.231940186	365.7510602	64.45	8	3	0	0	12
517	BrC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=N2)S1	1.9802	2.2922	2.5977	993.8178093	978.327	0.265765777	-0.432842986	337.158505	90.48	7	4	0	0	12
518	BrC1=CC2=C(C=C1)C1=C(SC(C3=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=CC=C(I)C=C5S4)=N3)=N1)C1=CC=CC=C21	1.9805	2.2919	2.5943	867.9211613	851.423	0.265765777	-0.432842986	317.8966669	90.48	7	4	0	0	11
519	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC=CC=C45)=N3)C=CC2=C1	1.9932	2.2916	2.5593	958.8938113	939.903	0.192480795	-0.231940196	341.5802464	64.45	8	3	0	0	10
520	ClC1=CC=C2C(=C1)C1=CC(Cl)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(O3)C3=C(C=CC=C3)C3=CC=CC=C34)=NC(C3=NC4=C(C=CC=C4)S3)=N2)S1	1.9863	2.2914	2.5802	732.0360566	715.521	0.265765777	-0.432842986	305.3738136	90.48	7	4	0	0	11
521	ClC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)=NC(C3=NC4=C(C=CC=C4)S3)=N2)S1	1.9921	2.2913	2.5759	714.0521853	696.136	0.192563441	-0.232624896	299.9165814	77.34	7	4	0	0	10
522	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(Cl)=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=N3)C=CC2=C1	1.9942	2.2912	2.5544	992.854839	975.356	0.192480795	-0.231940186	351.8835126	64.45	8	3	0	0	11
523	ClC1=CC=C2C(=C1)C1=C(C=CC=C1)C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=C(C=C(I)C=C3)C3=CC(I)=CC=C34)=NC(C3=CC4=CC=C(I)C=C4C=C3)=N2)S1	1.9909	2.2911	2.5581	1084.790459	1066.807	0.192480795	-0.231940186	360.8420845	64.45	8	3	0	0	11
524	BrC1=CC=C2C(=C1)C1=C(C=CC=C1)C1=C2N=C(C2=NC(C3=NC4=C(C=CC=C4)S3)=NC(C3=NC4=C(S3)C3=CC=C(I)C=C3C3=CC(I)=CC=C34)=N2)S1	1.9871	2.291	2.579	1009.794966	994.395	0.192563441	-0.232624896	342.004539	77.34	7	4	0	0	12
525	IC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=NC6=C(C=CC=C6)O5)C=C4)C4=CC=C(C5=NC6=C(C=CC=C6)S5)C=C4)C=C3)C=CC2=C1	1.9673	2.291	2.6027	747.0841315	721.453	0.226807953	-0.436094686	294.657528	42.16	7	2	0	0	6
526	C1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=CC=C6C=CC=CC6=C5)C=C4)C4=CC=C(C5=NC6=C(O5)C5=CC=CC=C5C5=C6C=CC=C5)C=C4)C=C3)C=CC2=C1	1.9851	2.2908	2.5708	714.2671137	680.596	0.226864211	-0.43540916	323.8990077	29.27	10	1	0	0	3
527	ClC1=CC=C2C(=C1)C1=CC(Cl)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(O3)C3=C(C=CC=C3)C3=CC=CC=C34)=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=N2)S1	1.9739	2.2908	2.6075	983.8293525	969.329	0.265765777	-0.432842986	343.8974898	90.48	7	4	0	0	13
528	BrC1=CC=C2N=C(C3=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=N3)SC2=C1	1.9783	2.2907	2.5919	726.0473569	708.451	0.265767059	-0.432842979	293.7887947	103.62	7	4	0	0	10
529	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(Cl)=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=N3)SC2=C1	1.978	2.2895	2.5958	999.8065089	985.397	0.192563441	-0.23262307	348.7435239	77.34	7	4	0	0	13
530	ClC1=CC=C2C(=C1)C1=C(C=CC(Cl)=C1)C1=C2N=C(C2=NC(C3=CC4=CC=C(I)C=C4C=C3)=NC(C3=NC4=C(S3)C3=C(C=C(Cl)C=C3)C3=CC(Cl)=CC=C34)=N2)S1	1.9899	2.2895	2.5588	934.8802463	919.358	0.192480795	-0.231940182	353.2282069	64.45	8	3	0	0	12
531	ClC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(I)=CC=C45)=N3)=NC2=C1	1.9883	2.2892	2.5746	965.8454812	949.944	0.192563441	-0.232569545	338.4402576	77.34	7	4	0	0	12
532	BrC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=N3)SC2=C1	1.9704	2.289	2.6062	1261.588262	1248.203	0.192563441	-0.232623517	380.5282152	77.34	7	4	0	0	14
533	ClC1=CC2=C(C=C1)C1=C(SC(C3=NC(C4=NC5=C(S4)C4=CC=C(I)C=C4C4=C5C=CC(I)=C4)=NC(C4=NC5=CC=C(I)C=C5S4)=N3)=N1)C1=CC=C(Cl)C=C21	1.9721	2.2889	2.6034	1125.703157	1112.301	0.192563441	-0.232623604	368.005362	77.34	7	4	0	0	14
534	ClC1=CC2=C(C=C1)C1=C(SC(C3=NC(C4=NC5=C(S4)C4=CC=C(Br)C=C4C4=C5C=CC(Br)=C4)=NC(C4=CC5=CC=C(I)C=C5C=C4)=N3)=N1)C1=CC=C(Cl)C=C21	1.9895	2.2885	2.5573	1022.779215	1008.26	0.192480795	-0.231940186	360.3567697	64.45	8	3	0	0	12
535	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(Br)=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(Br)=CC=C45)=N3)C=CC2=C1	2.0008	2.2882	2.538	862.9215395	845.903	0.192480795	-0.231940186	330.7916653	64.45	8	3	0	0	10
536	C1=CC=C2OC(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=N3)=NC2=C1	1.9889	2.2882	2.5722	664.1140013	644.615	0.26572193	-0.433541018	284.7672812	90.48	7	4	0	0	9
537	IC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(I)=C4)=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=N3)SC2=C1	1.9798	2.2877	2.5887	931.8844536	914.491	0.192563441	-0.232623604	328.1369914	77.34	7	4	0	0	11
538	BrC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(I)=CC=C45)=N3)C=CC2=C1	1.9963	2.2872	2.5393	1002.843296	984.354	0.192480795	-0.231940186	345.1445278	64.45	8	3	0	0	10
539	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(Br)=C4)=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=N3)C=CC2=C1	1.998	2.2868	2.5415	785.0110275	765.999	0.192480795	-0.231940196	316.9241177	64.45	8	3	0	0	9
540	IC1=CC=C2C(=C1)C1=CC(I)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC=CC=C34)=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=N2)S1	1.9708	2.2868	2.6066	1183.67775	1168.299	0.192563441	-0.23258437	366.6606676	77.34	7	4	0	0	13
541	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(Br)=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=N3)C=CC2=C1	1.9916	2.2867	2.5475	1036.804323	1019.807	0.192480795	-0.231940186	355.447794	64.45	8	3	0	0	11
542	ClC1=CC=C2C(=C1)C1=C(C=CC(Cl)=C1)C1=C2N=C(C2=NC(C3=NC4=CC=C(I)C=C4S3)=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC(I)=CC=C34)=N2)S1	1.9778	2.2866	2.5859	999.8065089	985.397	0.192563441	-0.232623604	348.7435239	77.34	7	4	0	0	13
543	ClC1=CC2=C(C=C1)C1=C(SC(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=CC5=CC=C(Br)C=C5C=C4)=N3)=N1)C1=CC=CC=C21	1.9965	2.2865	2.5432	785.0110275	765.999	0.192480795	-0.231940196	316.9241177	64.45	8	3	0	0	9
544	BrC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(O4)C4=C(C=CC=C4)C4=CC=CC=C45)=N3)C=CC2=C1	1.9882	2.2865	2.5515	986.8661394	968.286	0.265764317	-0.432842993	340.2984937	77.59	8	3	0	0	10
545	ClC1=CC=C2C(=C1)C1=CC(Cl)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(C=CC=C4)O3)=NC(C3=NC4=C(S3)C3=C(C=C(Cl)C=C3)C3=CC(Cl)=CC=C34)=N2)S1	1.9832	2.2862	2.5731	799.9581119	786.427	0.26572193	-0.433541018	325.9803461	90.48	7	4	0	0	13
546	IC1=CC2=C(C=C1I)SC(C1=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)=N1)=N2	1.9764	2.286	2.597	931.8844536	914.491	0.192563441	-0.23258437	328.1369914	77.34	7	4	0	0	11
547	BrC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)=NC(C3=NC4=C(C=CC=C4)O3)=N2)S1	1.9892	2.2858	2.5631	742.0245133	724.519	0.26572193	-0.433541018	298.6348288	90.48	7	4	0	0	10
548	ClC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)=NC(C3=NC4=C(C=CC=C4)S3)=N2)S1	1.9863	2.2854	2.564	698.0750289	680.068	0.265765777	-0.432842986	295.0705474	90.48	7	4	0	0	10
549	IC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=CC=C6C=C(I)C=CC6=C5)C=C4)C4=CC=C(C5=NC6=C(C=CC=C6)S5)C=C4)C=C3)C=CC2=C1	1.9796	2.2853	2.5588	882.0062659	854.384	0.124105151	-0.310504468	321.9053889	16.13	8	1	0	0	5
550	BrC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC(Br)=CC=C34)=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=N2)S1	1.9814	2.2851	2.5789	1087.705478	1074.299	0.192563441	-0.23258437	355.8720866	77.34	7	4	0	0	13
551	ClC1=CC=C2C(=C1)C1=C(C=CC=C1)C1=C2N=C(C2=NC(C3=NC4=C(C=CC=C4)S3)=NC(C3=NC4=C(S3)C3=CC=C(Cl)C=C3C3=CC(Cl)=CC=C34)=N2)S1	1.9864	2.285	2.568	781.9742406	767.042	0.192563441	-0.232624896	320.5231138	77.34	7	4	0	0	12
552	ClC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC=CC=C45)=N3)=NC2=C1	1.9769	2.2849	2.5909	965.8454812	949.944	0.192563441	-0.232569545	338.4402576	77.34	7	4	0	0	12
553	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=CC=C(Cl)C=C4C4=C5C=CC(Cl)=C4)=NC(C4=NC5=C(S4)C4=CC=C(I)C=C4C4=C5C=CC(I)=C4)=N3)C=CC2=C1	1.9866	2.2849	2.5519	1026.815867	1010.809	0.192480795	-0.231940186	362.1867788	64.45	8	3	0	0	12
554	ClC1=CC2=C(C=C1)C1=C(SC(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(I)=C4)=NC(C4=NC5=CC=C(I)C=C5S4)=N3)=N1)C1=CC=CC=C21	1.9802	2.2844	2.5752	965.8454812	949.944	0.192563441	-0.232623604	338.4402576	77.34	7	4	0	0	12
555	BrC1=CC2=C(C=C1)C1=C(SC(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(I)=C4)=NC(C4=NC5=CC=C(I)C=C5S4)=N3)=N1)C1=CC=CC=C21	1.9805	2.2844	2.5744	1009.794966	994.395	0.192563441	-0.232623604	342.004539	77.34	7	4	0	0	12
556	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=N3)SC2=C1	1.9736	2.2844	2.5879	1091.742129	1076.848	0.192563441	-0.23262307	357.7020957	77.34	7	4	0	0	13
557	C1=CC=C2SC(C3=NC(C4=NC5=C(O4)C4=C(C=CC=C4)C4=CC=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC=CC=C45)=N3)=NC2=C1	1.9817	2.2843	2.5749	664.1140013	644.615	0.265765777	-0.432842986	284.7672812	90.48	7	4	0	0	9
558	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(O4)C4=C(C=CC=C4)C4=CC=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC=CC=C45)=N3)C=CC2=C1	1.9948	2.2843	2.5364	691.123359	670.027	0.265764317	-0.432842993	298.2105361	77.59	8	3	0	0	8
559	BrC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(I)=C4)=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=N3)C=CC2=C1	1.9942	2.2842	2.5395	876.9466478	857.45	0.192480795	-0.231940196	325.8826896	64.45	8	3	0	0	9
560	IC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC=CC=C45)=N3)SC2=C1	1.9704	2.2841	2.5969	1057.781102	1041.395	0.192563441	-0.232623604	347.3988295	77.34	7	4	0	0	12
561	ClC1=CC2=C(C=C1)C1=C(SC(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(I)=C4)=NC(C4=CC5=CC=C(I)C=C5C=C4)=N3)=N1)C1=CC=CC=C21	1.9929	2.284	2.5374	958.8938113	939.903	0.192480795	-0.231940186	341.5802464	64.45	8	3	0	0	10
562	ClC1=CC=C2C(=C1)C1=CC(Cl)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(C=CC=C4)O3)=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC=CC=C34)=N2)S1	1.9834	2.2838	2.5691	732.0360566	715.521	0.26572193	-0.433541018	305.3738136	90.48	7	4	0	0	11
563	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(Cl)=C4)=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=N3)SC2=C1	1.9771	2.2836	2.581	732.0360566	715.521	0.265765777	-0.432842986	305.3738136	90.48	7	4	0	0	11
564	BrC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(O4)C4=C(C=CC=C4)C4=CC=CC=C45)=N3)=NC2=C1	1.9726	2.2834	2.5885	993.8178093	978.327	0.265765777	-0.432842986	337.158505	90.48	7	4	0	0	12
565	BrC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=NC6=C(C=CC=C6)O5)C=C4)C4=CC=C(C5=NC6=C(C=CC=C6)O5)C=C4)C=C3)C=CC2=C1	1.9685	2.2834	2.577	683.1208392	658.385	0.226807953	-0.436094686	284.4172035	55.3	7	2	0	0	6
566	BrC1=CC=C2C=C(C3=NC(C4=NC5=C(O4)C4=C(C=CC=C4)C4=CC=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC=CC=C45)=N3)C=CC2=C1	1.9934	2.2833	2.5357	735.0728434	714.478	0.265764317	-0.432842993	301.7748175	77.59	8	3	0	0	8
567	IC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=CC=C6C=CC=CC6=C5)C=C4)C4=CC=C(C5=NC6=C(O5)C5=CC=CC=C5C5=C6C=CC=C5)C=C4)C=C3)C=CC2=C1	1.9757	2.2832	2.5653	840.1637617	807.5	0.226864211	-0.43540916	343.1608458	29.27	10	1	0	0	4
568	IC1=CC=C(N(C2=CC=C(C3=NC4=C(C=CC=C4)O3)C=C2)C2=CC=C(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.9558	2.2831	2.6293	721.0684814	697.431	0.226807953	-0.436094686	282.2820984	42.16	7	2	0	0	6
569	BrC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=N3)C=CC2=C1	1.9811	2.2827	2.5532	1254.636592	1238.162	0.192480795	-0.231940186	383.668204	64.45	8	3	0	0	12
570	ClC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=CC=C6C=CC=CC6=C5)C=C4)C4=CC=C(C5=NC6=C(C=CC=C6)S5)C=C4)C=C3)C=CC2=C1	1.9846	2.2823	2.5479	664.1739976	636.029	0.124105151	-0.310504468	293.6849789	16.13	8	1	0	0	4
571	BrC1=CC2=CC=C(C3=CC=C(N(C4=CC=C(I)C=C4)C4=CC=C(C5=NC6=C(S5)C5=CC=CC=C5C5=C6C=CC=C5)C=C4)C=C3)C=C2C=C1	1.9753	2.2821	2.5821	808.0044799	783.362	0.124153376	-0.310503954	304.1356687	16.13	8	1	0	0	5
572	BrC1=CC=C2C(=C1)C1=C(C=CC(Br)=C1)C1=C2N=C(C2=NC(C3=NC4=C(O3)C3=C(C=CC=C3)C3=CC=CC=C34)=NC(C3=CC4=CC=C(I)C=C4C=C3)=N2)S1	1.9865	2.2821	2.5446	938.8800035	921.286	0.265764317	-0.432842993	334.9042032	77.59	8	3	0	0	10
573	IC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(I)=CC=C45)=N3)SC2=C1	1.9774	2.2821	2.5723	1057.781102	1041.395	0.192563441	-0.232623604	347.3988295	77.34	7	4	0	0	12
574	BrC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=N3)=NC2=C1	1.9706	2.2821	2.589	1261.588262	1248.203	0.192563441	-0.232583051	380.5282152	77.34	7	4	0	0	14
575	BrC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=N3)=NC2=C1	1.9818	2.2818	2.5775	758.0016697	740.587	0.192563441	-0.232583051	303.4808628	77.34	7	4	0	0	10
576	BrC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=CC=C4C=CC=CC4=C3)=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC(Br)=CC=C34)=N2)S1	2.0014	2.2814	2.5193	828.9605119	810.45	0.192480795	-0.231940186	320.4883991	64.45	8	3	0	0	9
577	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(Cl)=C4)=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(I)=C4)=N3)C=CC2=C1	1.9941	2.2812	2.53	866.958191	848.452	0.192480795	-0.231940186	332.6216745	64.45	8	3	0	0	10
578	BrC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=NC(C4=NC5=C(C=C(Br)C=C5)S4)=N3)SC2=C1	1.9891	2.2806	2.5416	891.7019058	884.211	0.192563441	-0.232623517	299.7201765	77.34	5	4	0	0	13
579	BrC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)=NC(C3=NC4=C(C=CC=C4)S3)=N2)S1	1.9838	2.2806	2.556	742.0245133	724.519	0.265765777	-0.432842986	298.6348288	90.48	7	4	0	0	10
580	ClC1=CC=C2C(=C1)C1=C(C=CC=C1)C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=C(Cl)C=C3C3=CC(Cl)=CC=C34)=NC(C3=NC4=C(C=CC=C4)O3)=N2)S1	1.983	2.2804	2.558	765.9970842	750.974	0.26572193	-0.433541018	315.6770798	90.48	7	4	0	0	12
581	ClC1=CC=C2SC(C3=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=N3)=NC2=C1	1.9748	2.2803	2.5732	682.0978725	664	0.265767059	-0.432842979	290.2245134	103.62	7	4	0	0	10
582	ClC1=CC=C2C(=C1)C1=C(C=CC(Cl)=C1)C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC=CC=C34)=NC(C3=CC4=CC=C(I)C=C4C=C3)=N2)S1	1.986	2.2803	2.5444	866.958191	848.452	0.192480795	-0.231940196	332.6216745	64.45	8	3	0	0	10
583	IC1=CC=C2C(=C1)C1=CC(I)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC=CC=C34)=NC(C3=NC4=C(C=CC=C4)S3)=N2)S1	1.9767	2.2799	2.5715	931.8844536	914.491	0.192563441	-0.232624896	328.1369914	77.34	7	4	0	0	11
584	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(Cl)=C4)=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(Br)=C4)=N3)C=CC2=C1	1.9948	2.2799	2.5276	818.9720551	801.452	0.192480795	-0.231940186	327.227384	64.45	8	3	0	0	10
585	ClC1=CC2=C(C=C1)C1=C(SC(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=CC=C(I)C=C5S4)=N3)=N1)C1=CC=CC=C21	1.975	2.2796	2.5787	839.9488333	823.04	0.192563441	-0.232623604	319.1784195	77.34	7	4	0	0	11
586	ClC1=CC=C(N(C2=CC=C(C3=CC=C4C=C(Br)C=CC4=C3)C=C2)C2=CC=C(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.9761	2.2793	2.5739	716.0688596	691.911	0.124153376	-0.310503442	295.1770968	16.13	8	1	0	0	5
587	ClC1=CC=C2C(=C1)C1=CC(Cl)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=C(C=C(Cl)C=C3)C3=CC(Cl)=CC=C34)=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=N2)S1	1.9683	2.2791	2.5898	1067.728564	1056.303	0.192563441	-0.23258437	369.3500563	77.34	7	4	0	0	15
588	ClC1=CC=C2C(=C1)C1=C(C=CC(Cl)=C1)C1=C2N=C(C2=NC(C3=CC=C4C=C(Br)C=CC4=C3)=NC(C3=NC4=CC=C(Br)C=C4S3)=N2)S1	1.9957	2.2787	2.5183	796.851267	785.268	0.192480795	-0.232623526	295.7316025	64.45	6	3	0	0	11
589	ClC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(Cl)=C4)=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=N3)=NC2=C1	1.9776	2.2787	2.5691	732.0360566	715.521	0.265765777	-0.432842986	305.3738136	90.48	7	4	0	0	11
590	ClC1=CC2=C(C=C1)C1=C(SC(C3=NC(C4=NC5=C(S4)C4=CC=C(I)C=C4C4=C5C=CC(I)=C4)=NC(C4=CC5=CC=C(I)C=C5C=C4)=N3)=N1)C1=CC=C(Cl)C=C21	1.9793	2.2785	2.547	1118.751487	1102.26	0.192480795	-0.231940186	371.1453507	64.45	8	3	0	0	12
591	ClC1=CC=C2C(=C1)C1=C(C=CC=C1)C1=C2N=C(C2=NC(C3=CC4=CC=C(Br)C=C4C=C3)=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC(Cl)=CC=C34)=N2)S1	1.9924	2.2785	2.528	818.9720551	801.452	0.192480795	-0.231940182	327.227384	64.45	8	3	0	0	10
592	BrC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(Br)=C4)=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=N3)C=CC2=C1	1.991	2.2783	2.528	812.9833555	794.382	0.265764317	-0.432842993	315.6423651	77.59	8	3	0	0	9
593	IC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=N3)SC2=C1	1.9669	2.2778	2.5817	1183.67775	1168.299	0.192563441	-0.232623604	366.6606676	77.34	7	4	0	0	13
594	IC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=CC=C6C=C(I)C=CC6=C5)C=C4)C4=CC=C(C5=NC6=C(O5)C5=CC=CC=C5C5=C6C=CC=C5)C=C4)C=C3)C=CC2=C1	1.9685	2.2775	2.5607	966.0604096	934.404	0.226864211	-0.43540916	362.422684	29.27	10	1	0	0	5
595	ClC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=CC=C6C=C(Cl)C=CC6=C5)C=C4)C4=CC=C(C5=NC6=C(C=CC=C6)S5)C=C4)C=C3)C=CC2=C1	1.9791	2.2773	2.5434	698.1350253	671.482	0.124105151	-0.310504468	303.9882451	16.13	8	1	0	0	5
596	C1=CC=C2SC(C3=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=N3)=NC2=C1	1.9756	2.277	2.559	648.1368449	628.547	0.265767059	-0.432842979	279.9212471	103.62	7	4	0	0	9
597	BrC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=CC=C6C=C(Br)C=CC6=C5)C=C4)C4=CC=C(C5=NC6=C(C=CC=C6)O5)C=C4)C=C3)C=CC2=C1	1.9843	2.277	2.5276	770.0568377	744.316	0.226807953	-0.436094686	306.2707739	29.27	8	1	0	0	5
598	ClC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(Br)=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=N3)=NC2=C1	1.9736	2.2762	2.5702	1043.755993	1029.848	0.192563441	-0.232569545	352.3078052	77.34	7	4	0	0	13
599	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=N3)C=CC2=C1	1.9892	2.2762	2.5315	707.1005154	686.095	0.192480795	-0.231940196	303.0565701	64.45	8	3	0	0	8
600	BrC1=CC=C2C(=C1)C1=C(C=CC=C1)C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=C(C=C(I)C=C3)C3=CC(I)=CC=C34)=NC(C3=CC4=CC=C(I)C=C4C=C3)=N2)S1	1.9817	2.2761	2.5362	1128.739944	1111.258	0.192480795	-0.231940186	364.4063659	64.45	8	3	0	0	11
601	IC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)=NC(C3=NC4=C(C=CC=C4)O3)=N2)S1	1.981	2.2761	2.5505	790.0106492	771.519	0.26572193	-0.433541018	304.0291193	90.48	7	4	0	0	10
602	IC1=CC=C2C(=C1)C1=CC(I)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=C(C=C(I)C=C3)C3=CC(I)=CC=C34)=NC(C3=NC4=C(C=CC=C4)S3)=N2)S1	1.9683	2.2759	2.5725	1183.67775	1168.299	0.192563441	-0.232624896	366.6606676	77.34	7	4	0	0	13
603	N#CC1=CC=C(N(C2=CC=C(C3=NC4=C(C=CC=C4)O3)C=C2)C2=CC=C(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.9637	2.2758	2.5717	604.189926	580.477	0.226864211	-0.436094686	268.931748	79.09	7	2	0	0	6
604	ClC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC(Br)=C3)=NC(C3=NC4=C(C=CC=C4)S3)=N2)S1	1.984	2.2756	2.5476	791.9626974	776.04	0.192563441	-0.232624896	313.784129	77.34	7	4	0	0	11
605	ClC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=CC=C6C=C(I)C=CC6=C5)C=C4)C4=CC=C(C5=NC6=C(C=CC=C6)S5)C=C4)C=C3)C=CC2=C1	1.9757	2.2752	2.5421	790.0706456	762.933	0.124105151	-0.310504468	312.946817	16.13	8	1	0	0	5
606	ClC1=CC2=C(C=C1)C1=C(SC(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(I)=C4)=NC(C4=CC5=CC=C(Br)C=C5C=C4)=N3)=N1)C1=CC=CC=C21	1.9895	2.2752	2.5229	910.9076754	892.903	0.192480795	-0.231940186	336.1859559	64.45	8	3	0	0	10
607	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(I)=C4)=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=N3)SC2=C1	1.971	2.2751	2.5673	823.9716769	806.972	0.265765777	-0.432842986	314.3323855	90.48	7	4	0	0	11
608	ClC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=C(Cl)C=C4)C4=CC(Cl)=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=C(Cl)C=C4)C4=CC(Cl)=CC=C45)=N3)=NC2=C1	1.9727	2.275	2.5723	849.8962959	837.948	0.192563441	-0.232569545	341.1296463	77.34	7	4	0	0	14
609	ClC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=N2)S1	1.9714	2.275	2.5752	965.8454812	949.944	0.192563441	-0.23258437	338.4402576	77.34	7	4	0	0	12
610	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(Br)=C4)=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(I)=C4)=N3)C=CC2=C1	1.9899	2.2744	2.5202	910.9076754	892.903	0.192480795	-0.231940186	336.1859559	64.45	8	3	0	0	10
611	ClC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(C=C(Br)C=C4)S3)=NC(C3=NC4=C(C=C(Br)C=C4)S3)=N2)S1	1.9896	2.2741	2.5239	769.8419093	759.856	0.192563441	-0.232623517	282.2883475	77.34	5	4	0	0	12
612	BrC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=CC=C6C=C(I)C=CC6=C5)C=C4)C4=CC=C(C5=NC6=C(C=CC=C6)S5)C=C4)C=C3)C=CC2=C1	1.9736	2.2738	2.542	834.02013	807.384	0.124105151	-0.310504468	316.5110984	16.13	8	1	0	0	5
613	IC1=CC=C(N(C2=CC=C(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C2=CC=C(C3=NC4=C(C=CC=C4)S3)C=C2)C=C1	1.954	2.2738	2.5973	721.0684814	697.431	0.226864211	-0.43540916	282.2820984	42.16	7	2	0	0	6
614	IC1=CC2=C(C=C1I)SC(C1=NC(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)=NC(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)=N1)=N2	1.9641	2.2737	2.5736	899.9301408	882.355	0.265767059	-0.432842979	318.4449234	103.62	7	4	0	0	11
615	IC1=CC=C2C(=C1)C1=C(C=CC=C1)C1=C2N=C(C2=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=NC(C3=NC4=C(S3)C3=CC=C(I)C=C3C3=CC(I)=CC=C34)=N2)S1	1.9634	2.2736	2.579	1309.574397	1295.203	0.192563441	-0.23258437	385.9225058	77.34	7	4	0	0	14
616	BrC1=CC2=CC=C(C3=NC(C4=NC5=CC=C(I)C=C5S4)=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=N3)C=C2C=C1	1.9893	2.2732	2.514	932.7363718	921.17	0.192480795	-0.232623613	308.2544558	64.45	6	3	0	0	11
617	ClC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(I)=C4)=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=N3)=NC2=C1	1.9733	2.2732	2.56	823.9716769	806.972	0.265765777	-0.432842986	314.3323855	90.48	7	4	0	0	11
618	ClC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC(Cl)=C3)=NC(C3=NC4=C(C=CC=C4)S3)=N2)S1	1.9819	2.2731	2.545	748.0132129	731.589	0.192563441	-0.232624896	310.2198476	77.34	7	4	0	0	11
619	N#CC1=CC=C(N(C2=CC=C(C3=CC=C4C=CC=CC4=C3)C=C2)C2=CC=C(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.9759	2.273	2.5537	629.1925689	602.572	0.124153376	-0.310503708	281.7638048	39.92	8	1	0	0	4
620	ClC1=CC=C2C(=C1)C1=C(C=CC=C1)C1=C2N=C(C2=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=NC(C3=NC4=C(S3)C3=CC=C(I)C=C3C3=CC(I)=CC=C34)=N2)S1	1.9639	2.2726	2.5774	1217.638777	1203.752	0.192563441	-0.23258437	376.9639339	77.34	7	4	0	0	14
621	BrC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(Br)=C4)=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(I)=C4)=N3)C=CC2=C1	1.9879	2.2721	2.5178	954.8571598	937.354	0.192480795	-0.231940186	339.7502372	64.45	8	3	0	0	10
622	ClC1=CC=C2C=C(C3=CC=C(N(C4=CC=CC=C4)C4=CC=C(C5=NC6=C(S5)C5=CC=CC=C5C5=C6C=CC=C5)C=C4)C=C3)C=CC2=C1	1.9653	2.2717	2.5804	638.1583475	612.007	0.124153376	-0.310505194	281.3095492	16.13	8	1	0	0	4
623	ClC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(Cl)=C4)=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=N3)=NC2=C1	1.9765	2.2716	2.5586	748.0132129	731.589	0.192563441	-0.232569545	310.2198476	77.34	7	4	0	0	11
624	IC1=CC=C2C(=C1)C1=CC(I)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(O3)C3=C(C=CC=C3)C3=CC=CC=C34)=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=N2)S1	1.9577	2.2715	2.5842	1167.700593	1152.231	0.265765777	-0.432842986	361.8146336	90.48	7	4	0	0	13
625	IC1=CC=C2C(=C1)C1=CC(I)=CC=C1C1=C2N=C(C2=NC(C3=CC=C4C=CC=CC4=C3)=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC=CC=C34)=N2)S1	1.9848	2.2714	2.5212	924.9327837	904.45	0.192480795	-0.231940196	331.2769801	64.45	8	3	0	0	9
626	ClC1=CC=C2C(=C1)C1=C(C=CC(Cl)=C1)C1=C2N=C(C2=NC(C3=CC4=CC=C(I)C=C4C=C3)=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC(I)=CC=C34)=N2)S1	1.9797	2.2702	2.5256	992.854839	975.356	0.192480795	-0.231940186	351.8835126	64.45	8	3	0	0	11
627	IC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC(I)=CC=C34)=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=N2)S1	1.9684	2.2697	2.5585	1183.67775	1168.299	0.192563441	-0.23258437	366.6606676	77.34	7	4	0	0	13
628	IC1=CC=C(N(C2=CC=C(C3=CC=C4C=CC=CC4=C3)C=C2)C2=CC=C(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.9703	2.2695	2.56	730.0939679	703.458	0.124153376	-0.310503954	290.2681211	16.13	8	1	0	0	4
629	IC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=NC6=C(C=CC=C6)O5)C=C4)C4=CC=C(C5=NC6=C(C=CC=C6)O5)C=C4)C=C3)C=CC2=C1	1.9573	2.2694	2.5592	731.1069751	705.385	0.226807953	-0.436094686	289.811494	55.3	7	2	0	0	6
630	BrC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC(I)=C3)=NC(C3=NC4=C(C=CC=C4)O3)=N2)S1	1.9788	2.2694	2.5344	867.9211613	851.423	0.26572193	-0.433541018	317.8966669	90.48	7	4	0	0	11
631	IC1=CC=C2C(=C1)C1=C(C=CC=C1)C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=C(I)C=C3C3=CC(I)=CC=C34)=NC(C3=NC4=C(C=CC=C4)O3)=N2)S1	1.9702	2.2688	2.5456	1041.803945	1025.327	0.26572193	-0.433541018	342.5527955	90.48	7	4	0	0	12
632	IC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(I)=CC=C45)=N3)C=CC2=C1	1.9809	2.2678	2.5156	1050.829432	1031.354	0.192480795	-0.231940186	350.5388183	64.45	8	3	0	0	10
633	ClC1=CC=C2C(=C1)C1=CC(Cl)=CC=C1C1=C2N=C(C2=NC(C3=CC=C4C=CC=CC4=C3)=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC=CC=C34)=N2)S1	1.986	2.2673	2.5121	741.061543	721.548	0.192480795	-0.231940196	313.3598364	64.45	8	3	0	0	9
634	IC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(I)=C4)=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=N3)C=CC2=C1	1.9799	2.2669	2.5189	924.9327837	904.45	0.192480795	-0.231940196	331.2769801	64.45	8	3	0	0	9
635	ClC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=CC=C6C=C(Br)C=CC6=C5)C=C4)C4=CC=C(C5=NC6=C(C=CC=C6)S5)C=C4)C=C3)C=CC2=C1	1.9725	2.2668	2.5285	742.0845097	715.933	0.124105151	-0.310504468	307.5525265	16.13	8	1	0	0	5
636	ClC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC(Br)=C3)=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=N2)S1	1.9688	2.2667	2.5539	1043.755993	1029.848	0.192563441	-0.23258437	352.3078052	77.34	7	4	0	0	13
637	ClC1=CC2=CC=C(C3=CC=C(N(C4=CC=C(I)C=C4)C4=CC=C(C5=NC6=C(S5)C5=CC=CC=C5C5=C6C=CC=C5)C=C4)C=C3)C=C2C=C1	1.9657	2.2667	2.5592	764.0549955	738.911	0.124153376	-0.310503954	300.5713873	16.13	8	1	0	0	5
638	BrC1=CC=C(N(C2=CC=C(C3=NC4=C(C=CC=C4)O3)C=C2)C2=CC=C(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.955	2.2666	2.5721	657.1051891	634.363	0.226864211	-0.436094686	272.0417738	55.3	7	2	0	0	6
639	IC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=N2)S1	1.9621	2.2664	2.5608	1041.803945	1025.327	0.265765777	-0.432842986	342.5527955	90.48	7	4	0	0	12
640	ClC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC(Br)=C3)=NC(C3=NC4=C(C=CC=C4)O3)=N2)S1	1.978	2.2662	2.5298	775.985541	759.972	0.26572193	-0.433541018	308.938095	90.48	7	4	0	0	11
641	N#CC1=CC=C(N(C2=CC=C(C3=CC=C4C=C(Cl)C=CC4=C3)C=C2)C2=CC=C(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.9681	2.2659	2.5475	663.1535965	638.025	0.124153376	-0.310503708	292.067071	39.92	8	1	0	0	5
642	BrC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=N3)C=CC2=C1	1.9754	2.2655	2.5204	1128.739944	1111.258	0.192480795	-0.231940186	364.4063659	64.45	8	3	0	0	11
643	BrC1=CC=C2C(=C1)C1=C(C=CC=C1)C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=C(I)C=C3C3=CC(I)=CC=C34)=NC(C3=NC4=C(C=CC=C4)O3)=N2)S1	1.9696	2.2654	2.54	993.8178093	978.327	0.26572193	-0.433541018	337.158505	90.48	7	4	0	0	12
644	ClC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=CC=C(Br)C=C4S3)=NC(C3=NC4=C(S3)C3=C(C=C(Br)C=C3)C3=CC(Br)=CC=C34)=N1)=N2	1.9842	2.2648	2.5111	847.7524214	839.76	0.192563441	-0.232623517	296.1558951	77.34	5	4	0	0	13
645	IC1=CC=C2C(=C1)C1=CC(I)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(C=CC=C4)O3)=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC=CC=C34)=N2)S1	1.9669	2.2646	2.5456	915.9072972	898.423	0.26572193	-0.433541018	323.2909574	90.48	7	4	0	0	11
646	ClC1=CC=C2C(=C1)C1=C(C=CC(Cl)=C1)C1=C2N=C(C2=NC(C3=NC4=C(O3)C3=C(C=CC=C3)C3=CC=CC=C34)=NC(C3=CC4=CC=C(Br)C=C4C=C3)=N2)S1	1.9771	2.2646	2.5184	802.9948987	785.384	0.265764317	-0.432842993	322.38135	77.59	8	3	0	0	10
647	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(Cl)C=C4)C4=CC(Cl)=CC=C45)=NC(C4=CC=C5C=C(Br)C=CC5=C4)=N3)SC2=C1	1.9862	2.2645	2.4993	752.9017826	740.817	0.192480795	-0.232623079	292.1673211	64.45	6	3	0	0	11
648	IC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=N3)C=CC2=C1	1.9723	2.2643	2.5212	1176.72608	1158.258	0.192480795	-0.231940186	369.8006564	64.45	8	3	0	0	11
649	ClC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC(I)=C3)=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=N2)S1	1.966	2.2642	2.5504	1091.742129	1076.848	0.192563441	-0.23258437	357.7020957	77.34	7	4	0	0	13
650	BrC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=N3)=NC2=C1	1.9648	2.2641	2.5525	1135.691614	1121.299	0.192563441	-0.232583051	361.2663771	77.34	7	4	0	0	13
651	ClC1=CC=C2C(=C1)C1=C(C=CC(Cl)=C1)C1=C2N=C(C2=NC(C3=CC=C4C=C(I)C=CC4=C3)=NC(C3=NC4=CC=C(Br)C=C4S3)=N2)S1	1.9828	2.264	2.5015	844.8374029	832.268	0.192480795	-0.232623526	301.125893	64.45	6	3	0	0	11
652	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=NC(C4=NC5=C(C=CC=C5)S4)=N3)SC2=C1	1.9851	2.2639	2.5056	769.8419093	759.856	0.192563441	-0.232624896	282.2883475	77.34	5	4	0	0	12
653	BrC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC(I)=C3)=NC(C3=CC=C4C=CC=CC4=C3)=N2)S1	1.988	2.2639	2.4969	876.9466478	857.45	0.192480795	-0.231940186	325.8826896	64.45	8	3	0	0	9
654	BrC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(I)=C4)=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=N3)C=CC2=C1	1.9802	2.2638	2.5084	860.9694914	841.382	0.265764317	-0.432842993	321.0366556	77.59	8	3	0	0	9
655	BrC1=CC2=CC=C(C3=NC(C4=NC5=CC=C(Br)C=C5S4)=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(Br)=CC=C45)=N3)C=C2C=C1	1.99	2.2637	2.4909	806.8397238	794.266	0.192480795	-0.232623526	288.9926177	64.45	6	3	0	0	10
656	BrC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=NC(C4=CC=C5C=C(I)C=CC5=C4)=N3)SC2=C1	1.9821	2.2637	2.5026	932.7363718	921.17	0.192480795	-0.232623526	308.2544558	64.45	6	3	0	0	11
657	ClC1=CC2=CC=C(C3=CC=C(N(C4=CC=C(Br)C=C4)C4=CC=C(C5=NC6=C(S5)C5=CC=CC=C5C5=C6C=CC=C5)C=C4)C=C3)C=C2C=C1	1.9649	2.2632	2.5535	716.0688596	691.911	0.124153376	-0.310503871	295.1770968	16.13	8	1	0	0	5
658	ClC1=CC2=CC=C(C3=NC(C4=NC5=CC=C(Br)C=C5S4)=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=N3)C=C2C=C1	1.9854	2.2632	2.4975	840.8007515	829.719	0.192480795	-0.232623526	299.2958839	64.45	6	3	0	0	11
659	ClC1=CC2=CC=C(C3=NC(C4=NC5=CC=C(Br)C=C5S4)=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(Br)=CC=C45)=N3)C=C2C=C1	1.9904	2.2627	2.4879	762.8902394	749.815	0.192480795	-0.232623526	285.4283363	64.45	6	3	0	0	10
660	BrC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=CC=C(Br)C=C4S3)=NC(C3=NC4=C(S3)C3=C(C=C(Br)C=C3)C3=CC(Br)=CC=C34)=N1)=N2	1.9829	2.2626	2.5077	891.7019058	884.211	0.192563441	-0.232623517	299.7201765	77.34	5	4	0	0	13
661	C1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=CC=C6C=CC=CC6=C5)C=C4)C4=CC=C(C5=NC6=C(C=CC=C6)S5)C=C4)C=C3)C=CC2=C1	1.9734	2.2625	2.5192	630.21297	600.576	0.124105151	-0.310504468	283.3817127	16.13	8	1	0	0	3
662	ClC1=CC=C2C(=C1)C1=CC(Cl)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(O3)C3=C(C=CC=C3)C3=CC=CC=C34)=NC(C3=NC4=C(C=CC=C4)O3)=N2)S1	1.9695	2.2621	2.5304	716.0589002	699.453	0.265767059	-0.433541011	300.5277796	103.62	7	4	0	0	11
663	ClC1=CC=C2C(=C1)C1=CC(Cl)=CC=C1C1=C2N=C(C2=NC(C3=CC=C4C=CC=CC4=C3)=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC(Br)=CC=C34)=N2)S1	1.9841	2.2621	2.5007	818.9720551	801.452	0.192480795	-0.231940186	327.227384	64.45	8	3	0	0	10
664	BrC1=CC=C(N(C2=CC=C(C3=CC=C4C=C(Br)C=CC4=C3)C=C2)C2=CC=C(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.9653	2.2618	2.5474	760.018344	736.362	0.124153376	-0.310503871	298.7413782	16.13	8	1	0	0	5
665	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=CC=C(Br)C=C4C4=C5C=CC(Br)=C4)=NC(C4=NC5=C(C=C(Br)C=C5)S4)=N3)SC2=C1	1.977	2.2617	2.515	847.7524214	839.76	0.192563441	-0.232623517	296.1558951	77.34	5	4	0	0	13
666	C1=CC=C2OC(C3=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=N3)=NC2=C1	1.9664	2.2616	2.5326	632.1596885	612.479	0.26576834	-0.433541004	275.0752131	116.76	7	4	0	0	9
667	ClC1=CC=C(N(C2=CC=C(C3=NC4=C(C=CC=C4)O3)C=C2)C2=CC=C(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.9508	2.2611	2.5658	613.1557047	589.912	0.226864211	-0.436094686	268.4774925	55.3	7	2	0	0	6
668	ClC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=N3)=NC2=C1	1.962	2.2611	2.5497	1091.742129	1076.848	0.192563441	-0.232569545	357.7020957	77.34	7	4	0	0	13
669	ClC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC(Cl)=CC=C34)=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=N2)S1	1.9645	2.2609	2.5468	999.8065089	985.397	0.192563441	-0.23258437	348.7435239	77.34	7	4	0	0	13
670	ClC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC(I)=C3)=NC(C3=NC4=C(C=CC=C4)S3)=N2)S1	1.9722	2.2604	2.5274	839.9488333	823.04	0.192563441	-0.232624896	319.1784195	77.34	7	4	0	0	11
671	ClC1=CC=C2C(=C1)C1=C(C=CC=C1)C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=C(C=C(I)C=C3)C3=CC(I)=CC=C34)=NC(C3=NC4=CC=C(I)C=C4S3)=N2)S1	1.9567	2.2604	2.5563	1091.742129	1076.848	0.192563441	-0.232623604	357.7020957	77.34	7	4	0	0	13
672	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=N3)C=CC2=C1	1.9788	2.2601	2.4977	675.1462026	653.959	0.265765599	-0.432842986	293.3645021	90.73	8	3	0	0	8
673	BrC1=CC=C2C(=C1)C1=C(C=CC=C1)C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=C(I)C=C3C3=CC(I)=CC=C34)=NC(C3=CC=C4C=CC=CC4=C3)=N2)S1	1.9787	2.2597	2.5013	1002.843296	984.354	0.192480795	-0.231940186	345.1445278	64.45	8	3	0	0	10
674	IC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=CC=C6C=CC=CC6=C5)C=C4)C4=CC=C(C5=NC6=C(C=CC=C6)S5)C=C4)C=C3)C=CC2=C1	1.9663	2.2591	2.5189	756.1096179	727.48	0.124105151	-0.310504468	302.6435508	16.13	8	1	0	0	4
675	ClC1=CC=C2C(=C1)C1=C(C=CC(Cl)=C1)C1=C2N=C(C2=NC(C3=NC4=C(C=C(Br)C=C4)S3)=NC(C3=NC4=CC=C(Br)C=C4S3)=N2)S1	1.9751	2.259	2.511	803.8029369	795.309	0.192563441	-0.232623517	292.5916138	77.34	5	4	0	0	13
676	IC1=CC=C2C(=C1)C1=CC(I)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(O3)C3=C(C=CC=C3)C3=CC=CC=C34)=NC(C3=NC4=C(C=CC=C4)S3)=N2)S1	1.961	2.259	2.5382	915.9072972	898.423	0.265765777	-0.432842986	323.2909574	90.48	7	4	0	0	11
677	IC1=CC2=C(C=C1I)SC(C1=NC(C3=NC4=C(O3)C3=C(C=CC=C3)C3=CC=CC=C34)=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC=CC=C34)=N1)=N2	1.9574	2.259	2.5538	915.9072972	898.423	0.265765777	-0.432842986	323.2909574	90.48	7	4	0	0	11
678	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(Br)=C4)=NC(C4=NC5=C(C=C(I)C=C5)S4)=N3)SC2=C1	1.9777	2.2589	2.5041	817.8280452	806.856	0.192563441	-0.232623604	287.682638	77.34	5	4	0	0	12
679	BrC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=NC(C4=NC5=C(C=CC=C5)S4)=N3)SC2=C1	1.9812	2.2587	2.4993	813.7913937	804.307	0.192563441	-0.232624896	285.8526289	77.34	5	4	0	0	12
680	ClC1=CC=C(N(C2=CC=C(C3=CC=C4C=C(Cl)C=CC4=C3)C=C2)C2=CC=C(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.9612	2.2587	2.5485	672.1193752	647.46	0.124153376	-0.310503442	291.6128154	16.13	8	1	0	0	5
681	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(Cl)=C4)=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=N3)C=CC2=C1	1.9777	2.2586	2.5022	725.0843867	705.48	0.265764317	-0.432842993	308.5138024	77.59	8	3	0	0	9
682	ClC1=CC=C(N(C2=CC=C(C3=CC=C4C=C(I)C=CC4=C3)C=C2)C2=CC=C(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.9595	2.2585	2.5481	764.0549955	738.911	0.124153376	-0.310503442	300.5713873	16.13	8	1	0	0	5
683	IC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)=NC(C3=CC=C4C=CC=CC4=C3)=N2)S1	1.9825	2.2585	2.4941	799.0361357	777.546	0.192480795	-0.231940196	312.015142	64.45	8	3	0	0	8
684	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(Br)=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=C(Cl)C=C4)C4=CC(Cl)=CC=C45)=N3)C=CC2=C1	1.9762	2.2582	2.505	852.9330827	836.905	0.192480795	-0.231940186	337.5306502	64.45	8	3	0	0	11
685	ClC1=CC2=CC=C(C3=NC(C4=NC5=CC=C(I)C=C5S4)=NC(C4=NC5=C(S4)C4=C(C=C(Cl)C=C4)C4=CC(Cl)=CC=C45)=N3)C=C2C=C1	1.9804	2.2581	2.4916	800.8879185	787.817	0.192480795	-0.232623613	297.5616116	64.45	6	3	0	0	11
686	IC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=N3)C=CC2=C1	1.9735	2.2578	2.5101	799.0361357	777.546	0.192480795	-0.231940196	312.015142	64.45	8	3	0	0	8
687	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(Br)=CC=C45)=NC(C4=CC=C5C=C(Br)C=CC5=C4)=N3)SC2=C1	1.9861	2.2574	2.4818	762.8902394	749.815	0.192480795	-0.232623079	285.4283363	64.45	6	3	0	0	10
688	BrC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(I)=CC=C45)=N3)=NC2=C1	1.9682	2.2573	2.5276	1009.794966	994.395	0.192563441	-0.232583051	342.004539	77.34	7	4	0	0	12
689	BrC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=NC(C4=CC=C5C=C(I)C=CC5=C4)=N3)=NC2=C1	1.9822	2.2569	2.4872	932.7363718	921.17	0.192480795	-0.232583061	308.2544558	64.45	6	3	0	0	11
690	BrC1=CC=C2C(=C1)C1=CC(Br)=CC=C1C1=C2N=C(C2=NC(C3=CC=C4C=CC=CC4=C3)=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC(I)=CC=C34)=N2)S1	1.9788	2.2569	2.4951	954.8571598	937.354	0.192480795	-0.231940186	339.7502372	64.45	8	3	0	0	10
691	ClC1=CC=C2C(=C1)C1=CC(Cl)=CC=C1C1=C2N=C(C2=NC(C3=CC=C4C=CC=CC4=C3)=NC(C3=NC4=C(O3)C3=C(C=CC=C3)C3=CC=CC=C34)=N2)S1	1.9787	2.2568	2.4933	725.0843867	705.48	0.265764317	-0.432842993	308.5138024	77.59	8	3	0	0	9
692	BrC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=CC=C(Br)C=C4S3)=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC(Br)=CC=C34)=N1)=N2	1.9842	2.2566	2.4909	813.7913937	804.307	0.192563441	-0.232623517	285.8526289	77.34	5	4	0	0	12
693	ClC1=CC=C2C(=C1)C1=CC(Cl)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC=CC=C34)=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=N2)S1	1.9543	2.2561	2.5587	999.8065089	985.397	0.192563441	-0.23258437	348.7435239	77.34	7	4	0	0	13
694	IC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=N3)C=CC2=C1	1.9608	2.2554	2.5182	1302.622728	1285.162	0.192480795	-0.231940186	389.0624945	64.45	8	3	0	0	12
695	ClC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)=NC(C3=NC4=C(C=CC=C4)O3)=N2)S1	1.9684	2.2552	2.5142	682.0978725	664	0.265767059	-0.433541011	290.2245134	103.62	7	4	0	0	10
696	BrC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)=NC(C3=CC=C4C=CC=CC4=C3)=N2)S1	1.9817	2.255	2.4837	735.0728434	714.478	0.265764317	-0.432842993	301.7748175	77.59	8	3	0	0	8
697	ClC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=CC=C(Cl)C=C4S3)=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC(Br)=CC=C34)=N1)=N2	1.9828	2.2548	2.4888	725.8924249	715.405	0.192563441	-0.23262307	278.7240662	77.34	5	4	0	0	12
698	N#CC1=CC=C(N(C2=CC=C(C3=CC=C4C=C(I)C=CC4=C3)C=C2)C2=CC=C(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.9591	2.2546	2.5317	755.0892168	729.476	0.124153376	-0.310503708	301.0256429	39.92	8	1	0	0	5
699	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=CC=C(Cl)C=C4C4=C5C=CC(Cl)=C4)=NC(C4=NC5=C(C=C(Br)C=C5)S4)=N3)SC2=C1	1.9724	2.2546	2.5047	759.8534525	750.858	0.192563441	-0.232623517	289.0273324	77.34	5	4	0	0	13
700	ClC1=CC2=CC=C(C3=NC(C4=NC5=CC=C(Br)C=C5S4)=NC(C4=NC5=C(S4)C4=C(C=C(Cl)C=C4)C4=CC(Cl)=CC=C45)=N3)C=C2C=C1	1.98	2.2543	2.4843	752.9017826	740.817	0.192480795	-0.232623526	292.1673211	64.45	6	3	0	0	11
701	IC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)=NC(C3=NC4=C(C=CC=C4)O3)=N2)S1	1.9666	2.2542	2.5128	774.0334928	755.451	0.265767059	-0.433541011	299.1830853	103.62	7	4	0	0	10
702	ClC1=CC=C2C(=C1)C1=C(C=CC=C1)C1=C2N=C(C2=NC(C3=CC4=CC=C(I)C=C4C=C3)=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC(Cl)=CC=C34)=N2)S1	1.9736	2.2542	2.4976	866.958191	848.452	0.192480795	-0.231940182	332.6216745	64.45	8	3	0	0	10
703	ClC1=CC=C2C(=C1)C1=C(C=CC(Cl)=C1)C1=C2N=C(C2=NC(C3=NC4=C(C=CC(Br)=C4)S3)=NC(C3=NC4=CC=C(Br)C=C4S3)=N2)S1	1.9774	2.2541	2.4959	803.8029369	795.309	0.192563441	-0.232623517	292.5916138	77.34	5	4	0	0	13
704	ClC1=CC=C2C(=C1)C1=C(C=CC(Cl)=C1)C1=C2N=C(C2=NC(C3=NC4=C(C=CC(Br)=C4)S3)=NC(C3=NC4=CC(Br)=CC=C4S3)=N2)S1	1.9833	2.254	2.4865	803.8029369	795.309	0.192563441	-0.232583051	292.5916138	77.34	5	4	0	0	13
705	BrC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=NC(C4=CC=C5C=C(Br)C=CC5=C4)=N3)C=CC2=C1	1.989	2.254	2.4633	877.798566	864.129	0.192398127	-0.231940196	306.000154	51.56	7	2	0	0	9
706	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(Br)=CC=C45)=NC(C4=NC5=C(C=CC(Br)=C5)S4)=N3)SC2=C1	1.9827	2.2539	2.4863	769.8419093	759.856	0.192563441	-0.23262307	282.2883475	77.34	5	4	0	0	12
707	BrC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=CC=C(I)C=C4S3)=NC(C3=NC4=C(S3)C3=C(C=C(Br)C=C3)C3=CC(Br)=CC=C34)=N1)=N2	1.9743	2.2539	2.4996	939.6880417	931.211	0.192563441	-0.232623604	305.114467	77.34	5	4	0	0	13
708	ClC1=CC2=C(C=C1)C1=C(SC(C3=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=CC5=CC=C(Br)C=C5C=C4)=N3)=N1)C1=CC=CC=C21	1.9739	2.2538	2.496	769.0338711	749.931	0.265764317	-0.432842993	312.0780837	77.59	8	3	0	0	9
709	BrC1=CC=C(N(C2=CC=C(C3=CC=C4C=C(Br)C=CC4=C3)C=C2)C2=CC=C(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.9693	2.2537	2.5061	744.0411877	720.294	0.226864211	-0.43540916	293.8953442	29.27	8	1	0	0	5
710	BrC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(Br)=C4)=NC(C4=NC5=C(C=C(I)C=C5)S4)=N3)SC2=C1	1.9737	2.2536	2.4978	861.7775296	851.307	0.192563441	-0.232623604	291.2469194	77.34	5	4	0	0	12
711	BrC1=CC2=C(C=C1)N=C(C1=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=CC(Br)=CC=C34)=NC(C3=NC4=C(C=C(Br)C=C4)S3)=N1)S2	1.976	2.2533	2.4951	813.7913937	804.307	0.192563441	-0.232623517	285.8526289	77.34	5	4	0	0	12
712	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(I)=C4)=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=N3)C=CC2=C1	1.9737	2.2529	2.4963	832.9971634	812.999	0.192480795	-0.231940196	322.3184083	64.45	8	3	0	0	9
713	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=NC(C4=CC=C5C=C(Br)C=CC5=C4)=N3)SC2=C1	1.9777	2.2527	2.4847	840.8007515	829.719	0.192480795	-0.232623079	299.2958839	64.45	6	3	0	0	11
714	ClC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=NC(C4=NC5=C(C=CC=C5)S4)=N3)=NC2=C1	1.9821	2.2525	2.4837	769.8419093	759.856	0.192563441	-0.232624896	282.2883475	77.34	5	4	0	0	12
715	BrC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=CC=C6C=CC=CC6=C5)C=C4)C4=CC=C(C5=CC=C6C=C(I)C=CC6=C5)C=C4)C=C3)C=CC2=C1	1.9841	2.252	2.4619	827.0684601	797.343	0.046153551	-0.310504491	319.6510871	3.24	9	0	0	0	3
716	BrC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=NC(C4=NC5=C(C=CC=C5)S4)=N3)C=CC2=C1	1.9821	2.2518	2.475	806.8397238	794.266	0.192480795	-0.232624905	288.9926177	64.45	6	3	0	0	10
717	ClC1=CC=C2C(=C1)C1=C(C=CC(Cl)=C1)C1=C2N=C(C2=NC(C3=NC4=C(C=C(I)C=C4)S3)=NC(C3=NC4=CC=C(I)C=C4S3)=N2)S1	1.9651	2.2518	2.5067	899.7752087	889.309	0.192563441	-0.232623604	303.3801948	77.34	5	4	0	0	13
718	C1=CC=C(N(C2=CC=C(C3=CC=C4C=CC=CC4=C3)C=C2)C2=CC=C(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.9539	2.2517	2.5504	604.1973199	576.554	0.124153376	-0.310505194	271.006283	16.13	8	1	0	0	3
719	ClC1=CC2=C(C=C1)C1=C(SC(C3=NC(C4=NC5=C(C=C(I)C=C5)S4)=NC(C4=NC5=CC=C(Br)C=C5S4)=N3)=N1)C1=CC=C(Cl)C=C21	1.9677	2.2517	2.5031	851.7890728	842.309	0.192563441	-0.232623604	297.9859043	77.34	5	4	0	0	13
720	BrC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=C(Br)C=C5)S4)=N3)SC2=C1	1.9713	2.2511	2.5016	735.8808816	724.403	0.192563441	-0.232623517	271.9850813	77.34	5	4	0	0	11
721	BrC1=CC2=CC=C(C3=NC(C4=NC5=CC=C(Br)C=C5S4)=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=N3)C=C2C=C1	1.9724	2.2511	2.4861	980.7225077	968.17	0.192480795	-0.232623526	313.6487463	64.45	6	3	0	0	11
722	ClC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=NC6=C(C=CC=C6)O5)C=C4)C4=CC=C(C5=NC6=C(C=CC=C6)O5)C=C4)C=C3)C=CC2=C1	1.9474	2.2506	2.5307	639.1713548	613.934	0.226807953	-0.436094686	280.8529221	55.3	7	2	0	0	6
723	ClC1=CC2=C(C=C1)C1=C(SC(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=CC5=CC=C(I)C=C5C=C4)=N3)=N1)C1=CC=CC=C21	1.9698	2.2506	2.4972	832.9971634	812.999	0.192480795	-0.231940196	322.3184083	64.45	8	3	0	0	9
724	ClC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC(I)=C3)=NC(C3=NC4=C(C=CC=C4)O3)=N2)S1	1.9657	2.2505	2.5094	823.9716769	806.972	0.26572193	-0.433541018	314.3323855	90.48	7	4	0	0	11
725	IC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC=CC=C45)=N3)C=CC2=C1	1.9628	2.2503	2.5059	1050.829432	1031.354	0.192480795	-0.231940196	350.5388183	64.45	8	3	0	0	10
726	BrC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(Br)=CC=C45)=NC(C4=CC=C5C=C(I)C=CC5=C4)=N3)SC2=C1	1.9782	2.2502	2.4754	854.8258597	841.266	0.192480795	-0.232623526	294.3869082	64.45	6	3	0	0	10
727	BrC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=CC=C6C=CC=CC6=C5)C=C4)C4=CC=C(C5=NC6=C(C=CC=C6)O5)C=C4)C=C3)C=CC2=C1	1.9666	2.2498	2.4914	692.1463256	664.412	0.226807953	-0.436094686	292.4032263	29.27	8	1	0	0	4
728	IC1=CC=C(N(C2=CC=C(C3=CC=C4C=C(I)C=CC4=C3)C=C2)C2=CC=C(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.9518	2.2496	2.5377	855.9906158	830.362	0.124153376	-0.310503954	309.5299592	16.13	8	1	0	0	5
729	ClC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(I)=C4)=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=N3)=NC2=C1	1.9608	2.2489	2.5252	839.9488333	823.04	0.192563441	-0.232569545	319.1784195	77.34	7	4	0	0	11
730	IC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=CC=C6C=CC=CC6=C5)C=C4)C4=CC=C(C5=NC6=C(C=CC=C6)O5)C=C4)C=C3)C=CC2=C1	1.964	2.2489	2.4919	740.1324615	711.412	0.226807953	-0.436094686	297.7975168	29.27	8	1	0	0	4
731	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=NC(C4=CC=C5C=C(Br)C=CC5=C4)=N3)SC2=C1	1.9709	2.2489	2.4833	936.7730233	923.719	0.192480795	-0.232623079	310.0844649	64.45	6	3	0	0	11
732	BrC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=C(Br)C=C5)S4)=N3)C=CC2=C1	1.981	2.2486	2.4706	728.9292117	714.362	0.192480795	-0.232623526	275.1250701	64.45	6	3	0	0	9
733	N#CC1=CC=C(N(C2=CC=C(C3=NC4=C(C=CC=C4)S3)C=C2)C2=CC=C(C3=NC4=C(C=CC=C4)S3)C=C2)C=C1	1.9508	2.2483	2.5269	536.1129386	516.525	0.124105151	-0.310503685	233.260487	52.81	5	2	0	0	6
734	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=NC(C4=NC5=C(C=CC(Br)=C5)S4)=N3)SC2=C1	1.9737	2.2483	2.4881	847.7524214	839.76	0.192563441	-0.23262307	296.1558951	77.34	5	4	0	0	13
735	ClC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=NC(C4=NC5=C(C=CC=C5)O4)=N3)=NC2=C1	1.9754	2.2481	2.4841	753.8647529	743.788	0.26572193	-0.433541018	277.4423135	90.48	5	4	0	0	12
736	BrC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=NC(C4=CC=C5C=C(I)C=CC5=C4)=N3)C=CC2=C1	1.9816	2.2478	2.4589	925.7847019	911.129	0.192398127	-0.231940196	311.3944445	51.56	7	2	0	0	9
737	BrC1=CC2=C(C=C1)N=C(C1=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=CC(I)=CC=C34)=NC(C3=NC4=C(C=C(Br)C=C4)S3)=N1)S2	1.9707	2.2477	2.4877	861.7775296	851.307	0.192563441	-0.232623517	291.2469194	77.34	5	4	0	0	12
738	BrC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)C=CC2=C1	1.9752	2.2475	2.4736	1058.63302	1048.074	0.192480795	-0.232584379	327.5162939	64.45	6	3	0	0	12
739	ClC1=CC2=C(C=C1)C1=C(SC(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(Br)=C4)=NC(C4=CC5=CC=C(I)C=C5C=C4)=N3)=N1)C1=CC=CC=C21	1.9694	2.2473	2.4875	910.9076754	892.903	0.192480795	-0.231940186	336.1859559	64.45	8	3	0	0	10
740	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(Br)=C4)=NC(C4=NC5=C(C=C(Br)C=C5)S4)=N3)SC2=C1	1.9723	2.247	2.4855	769.8419093	759.856	0.192563441	-0.232623517	282.2883475	77.34	5	4	0	0	12
741	BrC1=CC2=C(C=C1)C1=C(SC(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(I)=C4)=NC(C4=CC5=CC=C(I)C=C5C=C4)=N3)=N1)C1=CC=CC=C21	1.9683	2.2467	2.4862	1002.843296	984.354	0.192480795	-0.231940186	345.1445278	64.45	8	3	0	0	10
742	ClC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=CC=C(Br)C=C4C4=C5C=CC(Br)=C4)=NC(C4=NC5=C(C=CC(Br)=C5)S4)=N3)=NC2=C1	1.9771	2.2464	2.4786	847.7524214	839.76	0.192563441	-0.232583051	296.1558951	77.34	5	4	0	0	13
743	C1=CC=C2C=C(C3=NC(C4=NC5=C(O4)C4=C(C=CC=C4)C4=CC=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC=CC=C45)=N3)C=CC2=C1	1.9739	2.2459	2.4763	657.1623314	634.574	0.265764317	-0.432842993	287.9072699	77.59	8	3	0	0	7
744	BrC1=CC2=CC=C(C3=NC(C4=NC5=CC(Br)=CC=C5S4)=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(Br)=CC=C45)=N3)C=C2C=C1	1.9827	2.2457	2.4605	806.8397238	794.266	0.192480795	-0.232583061	288.9926177	64.45	6	3	0	0	10
745	BrC1=CC=C(N(C2=CC=C(C3=CC=C4C=C(I)C=CC4=C3)C=C2)C2=CC=C(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.9505	2.2453	2.5308	808.0044799	783.362	0.124153376	-0.310503871	304.1356687	16.13	8	1	0	0	5
746	IC1=CC=C(N(C2=CC=C(C3=NC4=C(C=CC=C4)O3)C=C2)C2=CC=C(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.94	2.2451	2.541	705.091325	681.363	0.226864211	-0.436094686	277.4360644	55.3	7	2	0	0	6
747	BrC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=CC(Br)=C5)S4)=N3)=NC2=C1	1.9783	2.2445	2.4756	735.8808816	724.403	0.192563441	-0.232583051	271.9850813	77.34	5	4	0	0	11
748	ClC1=CC2=C(C=C1)N=C(C1=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=CC(Cl)=CC=C34)=NC(C3=NC4=C(C=C(Cl)C=C4)S3)=N1)S2	1.9701	2.2441	2.4827	681.9429405	670.954	0.192563441	-0.23262307	275.1597848	77.34	5	4	0	0	12
749	BrC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(Br)=CC=C45)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)SC2=C1	1.9669	2.244	2.4858	987.6741776	978.211	0.192563441	-0.232623517	310.5087575	77.34	5	4	0	0	13
750	BrC1=CC=C2C=C(C3=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=N3)C=CC2=C1	1.9673	2.244	2.4771	719.095687	698.41	0.265765599	-0.432842986	296.9287835	90.73	8	3	0	0	8
751	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(C=CC(Br)=C5)S4)=N3)SC2=C1	1.966	2.244	2.487	943.7246932	933.76	0.192563441	-0.23262307	306.9444762	77.34	5	4	0	0	13
752	BrC1=CC=C2N=C(C3=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)SC2=C1	1.9716	2.2439	2.4746	641.9932132	628.431	0.265765777	-0.432842986	253.2714997	90.48	5	4	0	0	10
753	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(Br)=CC=C45)=NC(C4=CC=C5C=C(Cl)C=CC5=C4)=N3)C=CC2=C1	1.9876	2.2438	2.4421	711.9890851	695.323	0.192398127	-0.231940196	285.0040436	51.56	7	2	0	0	8
754	C1=CC=C2OC(C3=NC(C4=NC5=C(O4)C4=C(C=CC=C4)C4=CC=CC=C45)=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC=CC=C45)=N3)=NC2=C1	1.9594	2.2438	2.5032	648.1368449	628.547	0.265767059	-0.433541011	279.9212471	103.62	7	4	0	0	9
755	BrC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(C=C(Br)C=C5)S4)=N3)SC2=C1	1.9601	2.2438	2.4956	987.6741776	978.211	0.192563441	-0.232623517	310.5087575	77.34	5	4	0	0	13
756	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=NC(C4=CC=C5C=C(I)C=CC5=C4)=N3)C=CC2=C1	1.9776	2.2438	2.4569	881.8352175	866.678	0.192398127	-0.231940196	307.8301631	51.56	7	2	0	0	9
757	IC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)=NC(C3=NC4=C(C=CC=C4)S3)=N2)S1	1.9576	2.2438	2.506	790.0106492	771.519	0.265765777	-0.432842986	304.0291193	90.48	7	4	0	0	10
758	ClC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(Br)=CC=C45)=NC(C4=CC=C5C=C(Br)C=CC5=C4)=N3)=NC2=C1	1.9807	2.2436	2.4585	762.8902394	749.815	0.192480795	-0.232569554	285.4283363	64.45	6	3	0	0	10
759	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(I)=C4)=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=N3)C=CC2=C1	1.9668	2.2434	2.481	817.020007	796.931	0.265764317	-0.432842993	317.4723742	77.59	8	3	0	0	9
760	ClC1=CC=C2C(=C1)C1=CC(Cl)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=C(I)C=C3C3=C4C=CC(I)=C3)=NC(C3=NC4=C(C=CC=C4)O3)=N2)S1	1.9511	2.2433	2.5167	983.8293525	969.329	0.26572193	-0.433541018	343.8974898	90.48	7	4	0	0	13
761	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=C(Cl)C=C5)S4)=N3)SC2=C1	1.9666	2.243	2.4895	647.9819128	635.501	0.192563441	-0.23262307	264.8565185	77.34	5	4	0	0	11
762	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)SC2=C1	1.9612	2.2428	2.4935	1021.635205	1013.664	0.192563441	-0.23262307	320.8120238	77.34	5	4	0	0	14
763	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=CC=C(I)C=C4C4=C5C=CC(I)=C4)=NC(C4=NC5=C(C=C(I)C=C5)S4)=N3)SC2=C1	1.9576	2.2428	2.4958	991.7108291	980.76	0.192563441	-0.232623604	312.3387667	77.34	5	4	0	0	13
764	ClC1=CC=C2C(=C1)C1=C(C=CC=C1)C1=C2N=C(C2=NC(C3=NC4=C(S3)C3=CC=C(I)C=C3C3=CC(I)=CC=C34)=NC(C3=CC=C4C=CC=CC4=C3)=N2)S1	1.9667	2.2426	2.4791	958.8938113	939.903	0.192480795	-0.231940186	341.5802464	64.45	8	3	0	0	10
765	BrC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)SC2=C1	1.9609	2.2424	2.4926	1065.58469	1058.115	0.192563441	-0.232623517	324.3763052	77.34	5	4	0	0	14
766	BrC1=CC2=CC=C(C3=NC(C4=NC5=CC(Br)=CC=C5S4)=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=N3)C=C2C=C1	1.975	2.2422	2.4644	884.7502359	874.17	0.192480795	-0.232583061	302.8601653	64.45	6	3	0	0	11
767	BrC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=CC=C6C=C(Br)C=CC6=C5)C=C4)C4=CC=C(C5=CC=C6C=C(Br)C=CC6=C5)C=C4)C=C3)C=CC2=C1	1.9768	2.2421	2.4505	856.9928363	830.247	0.046153551	-0.310504491	328.1243442	3.24	9	0	0	0	4
768	BrC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(Br)=CC=C45)=NC(C4=CC=C5C=C(Br)C=CC5=C4)=N3)C=CC2=C1	1.9853	2.2421	2.4408	799.8880539	784.225	0.192398127	-0.231940196	292.1326064	51.56	7	2	0	0	8
769	BrC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=CC=C(I)C=C4S3)=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC(Br)=CC=C34)=N1)=N2	1.9713	2.242	2.4745	861.7775296	851.307	0.192563441	-0.232623604	291.2469194	77.34	5	4	0	0	12
770	ClC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=CC=C(Br)C=C4S3)=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC=CC=C34)=N1)=N2	1.9705	2.2417	2.4803	691.9313972	679.952	0.192563441	-0.232623517	268.4207999	77.34	5	4	0	0	11
771	BrC1=CC=C2C=C(C3=CC=C(N(C4=CC=CC=C4)C4=CC=C(C5=NC6=C(O5)C5=CC=CC=C5C5=C6C=CC=C5)C=C4)C=C3)C=CC2=C1	1.9578	2.2415	2.4974	666.1306756	640.39	0.226864211	-0.43540916	280.0277966	29.27	8	1	0	0	4
772	ClC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=CC=C6C=C(Br)C=CC6=C5)C=C4)C4=CC=C(C5=NC6=C(C=CC=C6)O5)C=C4)C=C3)C=CC2=C1	1.9588	2.2414	2.4826	726.1073533	699.865	0.226807953	-0.436094686	302.7064925	29.27	8	1	0	0	5
773	BrC1=CC2=C(C=C1)SC(C1=NC(C3=CC4=CC=C(I)C=C4C=C3)=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)=N1)=N2	1.9736	2.2411	2.4655	776.9153476	761.362	0.192480795	-0.232583061	280.5193606	64.45	6	3	0	0	9
774	ClC1=CC2=CC=C(C3=NC(C4=NC5=CC=C(Br)C=C5S4)=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=N3)C=C2C=C1	1.9659	2.2409	2.4719	936.7730233	923.719	0.192480795	-0.232623526	310.0844649	64.45	6	3	0	0	11
775	BrC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=CC=C6C=C(I)C=CC6=C5)C=C4)C4=CC=C(C5=NC6=C(C=CC=C6)O5)C=C4)C=C3)C=CC2=C1	1.9566	2.2409	2.4832	818.0429736	791.316	0.226807953	-0.436094686	311.6650644	29.27	8	1	0	0	5
776	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=C(Br)C=C5)S4)=N3)C=CC2=C1	1.9721	2.2407	2.4675	684.9797273	669.911	0.192480795	-0.232623526	271.5607887	64.45	6	3	0	0	9
777	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(C=CC(Br)=C5)S4)=N3)SC2=C1	1.9718	2.2405	2.469	817.8280452	806.856	0.192563441	-0.23262307	287.682638	77.34	5	4	0	0	12
778	BrC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=CC(I)=CC=C34)=NC(C3=NC4=C(C=CC(Br)=C4)S3)=N1)=N2	1.9769	2.2403	2.4615	861.7775296	851.307	0.192563441	-0.232583051	291.2469194	77.34	5	4	0	0	12
779	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=C(Cl)C=C5)S4)=N3)C=CC2=C1	1.9718	2.2398	2.4661	641.0302429	625.46	0.192480795	-0.232623079	267.9965073	64.45	6	3	0	0	9
780	ClC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=NC(C4=NC5=C(C=CC(Cl)=C5)S4)=N3)=NC2=C1	1.9723	2.2398	2.4703	803.8029369	795.309	0.192563441	-0.232569545	292.5916138	77.34	5	4	0	0	13
781	ClC1=CC=C2C(=C1)C1=C(C=CC=C1)C1=C2N=C(C2=NC(C3=CC=C4C=C(Br)C=CC4=C3)=NC(C3=NC4=CC(Br)=CC=C4S3)=N2)S1	1.9779	2.2396	2.4537	762.8902394	749.815	0.192480795	-0.232583061	285.4283363	64.45	6	3	0	0	10
782	ClC1=CC=C(N(C2=CC=C(C3=NC4=C(C=CC=C4)S3)C=C2)C2=CC=C(C3=NC4=C(C=CC=C4)S3)C=C2)C=C1	1.9405	2.2396	2.5329	545.0787173	525.96	0.124105151	-0.310503419	232.8062314	29.02	5	2	0	0	6
783	ClC1=CC2=CC=C(C3=NC(C4=NC5=CC=C(Cl)C=C5S4)=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(Br)=CC=C45)=N3)C=C2C=C1	1.9745	2.2395	2.4576	718.940755	705.364	0.192480795	-0.232623079	281.8640549	64.45	6	3	0	0	10
784	ClC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=NC(C4=CC=C5C=C(I)C=CC5=C4)=N3)=NC2=C1	1.9695	2.2394	2.465	888.7868874	876.719	0.192480795	-0.232569554	304.6901744	64.45	6	3	0	0	11
785	IC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)=NC(C3=CC=C4C=CC=CC4=C3)=N2)S1	1.9693	2.2393	2.464	783.0589793	761.478	0.265764317	-0.432842993	307.169108	77.59	8	3	0	0	8
786	ClC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=CC=C(Br)C=C4S3)=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC(Cl)=CC=C34)=N1)=N2	1.9716	2.2391	2.4682	725.8924249	715.405	0.192563441	-0.232623517	278.7240662	77.34	5	4	0	0	12
787	BrC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(Br)=CC=C45)=NC(C4=NC5=C(C=CC=C5)S4)=N3)=NC2=C1	1.9783	2.2387	2.4559	735.8808816	724.403	0.192563441	-0.232624896	271.9850813	77.34	5	4	0	0	11
788	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(Cl)C=C4)C4=CC(Cl)=CC=C45)=NC(C4=CC=C5C=C(I)C=CC5=C4)=N3)C=CC2=C1	1.977	2.2387	2.4439	793.9362486	777.776	0.192398127	-0.231940192	300.7016004	51.56	7	2	0	0	9
789	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(C=C(Cl)C=C5)S4)=N3)SC2=C1	1.9573	2.2386	2.4874	899.7752087	889.309	0.192563441	-0.23262307	303.3801948	77.34	5	4	0	0	13
790	BrC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)SC2=C1	1.969	2.2384	2.4732	657.9703696	644.499	0.192563441	-0.232624896	258.1175337	77.34	5	4	0	0	10
791	BrC1=CC=C2C(=C1)C1=C(C=CC(Br)=C1)C1=C2N=C(C2=NC(C3=NC4=C(C=C(I)C=C4)S3)=NC(C3=NC4=CC=C(I)C=C4S3)=N2)S1	1.9557	2.2381	2.489	987.6741776	978.211	0.192563441	-0.232623604	310.5087575	77.34	5	4	0	0	13
792	ClC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=NC(C4=CC=C5C=C(Br)C=CC5=C4)=N3)=NC2=C1	1.9669	2.2374	2.463	936.7730233	923.719	0.192480795	-0.232569554	310.0844649	64.45	6	3	0	0	11
793	ClC1=CC2=C(C=C1)N=C(C1=NC(C3=CC4=CC=C(Br)C=C4C=C3)=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)=N1)S2	1.9735	2.2372	2.4553	684.9797273	669.911	0.192480795	-0.232623079	271.5607887	64.45	6	3	0	0	9
794	BrC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=NC(C4=CC=C5C=C(I)C=CC5=C4)=N3)SC2=C1	1.96	2.237	2.4708	1028.708644	1015.17	0.192480795	-0.232623526	319.0430368	64.45	6	3	0	0	11
795	IC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(I)=C4)=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=N3)C=CC2=C1	1.9592	2.237	2.4757	908.9556273	888.382	0.265764317	-0.432842993	326.4309461	77.59	8	3	0	0	9
796	ClC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=NC(C4=CC=C5C=C(Br)C=CC5=C4)=N3)=NC2=C1	1.9708	2.2369	2.4588	840.8007515	829.719	0.192480795	-0.232569554	299.2958839	64.45	6	3	0	0	11
797	C1=CC=C2C=C(C3=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=N3)C=CC2=C1	1.9686	2.2369	2.4575	641.185175	618.506	0.265765599	-0.432842986	283.0612359	90.73	8	3	0	0	7
798	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(Cl)=C4)=NC(C4=NC5=C(C=C(Br)C=C5)S4)=N3)SC2=C1	1.9647	2.2368	2.4735	725.8924249	715.405	0.192563441	-0.232623517	278.7240662	77.34	5	4	0	0	12
799	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(Cl)=CC=C45)=NC(C4=CC=C5C=C(Br)C=CC5=C4)=N3)C=CC2=C1	1.9821	2.2368	2.4336	711.9890851	695.323	0.192398127	-0.231940192	285.0040436	51.56	7	2	0	0	8
800	ClC1=CC2=C(C=C1)C1=C(SC(C3=NC(C4=NC5=C(C=C(I)C=C5)S4)=NC(C4=NC5=CC=C(Br)C=C5S4)=N3)=N1)C1=CC=CC=C21	1.9617	2.2366	2.4759	817.8280452	806.856	0.192563441	-0.232623604	287.682638	77.34	5	4	0	0	12
801	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=CC=C(Cl)C=C4C4=C5C=CC(Cl)=C4)=NC(C4=NC5=C(C=C(I)C=C5)S4)=N3)SC2=C1	1.9576	2.2364	2.4825	807.8395884	797.858	0.192563441	-0.232623604	294.4216229	77.34	5	4	0	0	13
802	ClC1=CC=C2C(=C1)C1=C(C=CC(Cl)=C1)C1=C2N=C(C2=NC(C3=NC4=C(C=CC=C4)S3)=NC(C3=NC4=CC=C(Br)C=C4S3)=N2)S1	1.9665	2.2363	2.4679	725.8924249	715.405	0.192563441	-0.232624896	278.7240662	77.34	5	4	0	0	12
803	BrC1=CC=C2C(=C1)C1=C(C=CC(Br)=C1)C1=C2N=C(C2=NC(C3=NC4=C(C=CC=C4)S3)=NC(C3=CC4=CC=C(I)C=C4C=C3)=N2)S1	1.9687	2.2363	2.4572	854.8258597	841.266	0.192480795	-0.232624905	294.3869082	64.45	6	3	0	0	10
804	N#CC1=CC=C(N(C2=CC=C(C3=NC4=C(C=CC=C4)O3)C=C2)C2=CC=C(C3=NC4=C(C=CC=C4)S3)C=C2)C=C1	1.945	2.2363	2.5023	520.1357823	500.457	0.226807953	-0.436094686	228.414453	65.95	5	2	0	0	6
805	BrC1=CC=C2C(=C1)C1=CC(Br)=CC=C1C1=C2N=C(C2=NC(C3=CC=C4C=CC=CC4=C3)=NC(C3=NC4=C(C=CC=C4)S3)=N2)S1	1.9771	2.2358	2.4444	728.9292117	714.362	0.192480795	-0.232624905	275.1250701	64.45	6	3	0	0	9
806	BrC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(C=CC=C5)O4)=N3)SC2=C1	1.9577	2.2356	2.4783	893.7865091	882.239	0.26572193	-0.433541018	291.7951759	90.48	5	4	0	0	12
807	ClC1=CC=C2C(=C1)C1=C(C=CC(Cl)=C1)C1=C2N=C(C2=NC(C3=NC4=C(C=CC=C4)S3)=NC(C3=NC4=CC(Br)=CC=C4S3)=N2)S1	1.9713	2.2356	2.4596	725.8924249	715.405	0.192563441	-0.232624896	278.7240662	77.34	5	4	0	0	12
808	ClC1=CC2=CC=C(C3=NC(C4=NC5=CC(Br)=CC=C5S4)=NC(C4=NC5=C(S4)C4=C(C=C(Cl)C=C4)C4=CC(Cl)=CC=C45)=N3)C=C2C=C1	1.9717	2.2355	2.4535	752.9017826	740.817	0.192480795	-0.232583061	292.1673211	64.45	6	3	0	0	11
809	ClC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=CC=C(I)C=C4S3)=NC(C3=NC4=C(S3)C3=C(C=C(Br)C=C3)C3=CC(Br)=CC=C34)=N1)=N2	1.9611	2.2355	2.476	895.7385573	886.76	0.192563441	-0.232623604	301.5501857	77.34	5	4	0	0	13
810	IC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=CC=C6C=C(I)C=CC6=C5)C=C4)C4=CC=C(C5=NC6=C(C=CC=C6)O5)C=C4)C=C3)C=CC2=C1	1.9515	2.2354	2.4764	866.0291095	838.316	0.226807953	-0.436094686	317.0593549	29.27	8	1	0	0	5
811	BrC1=CC2=CC=C(C3=NC(C4=NC5=CC=C(I)C=C5S4)=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=N3)C=C2C=C1	1.9629	2.2352	2.4607	1028.708644	1015.17	0.192480795	-0.232623613	319.0430368	64.45	6	3	0	0	11
812	ClC1=CC=C2C(=C1)C1=C(C=CC(Cl)=C1)C1=C2N=C(C2=NC(C3=NC4=C(C=CC(Br)=C4)S3)=NC(C3=NC4=CC=C(I)C=C4S3)=N2)S1	1.9622	2.2351	2.4722	851.7890728	842.309	0.192563441	-0.232623604	297.9859043	77.34	5	4	0	0	13
813	BrC1=CC=C2C=C(C3=NC(C4=CC=C5C=C(Br)C=CC5=C4)=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=N3)C=CC2=C1	1.9786	2.2349	2.431	706.0003855	688.253	0.265762858	-0.432843001	273.4190248	64.7	7	2	0	0	7
814	BrC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)=NC2=C1	1.9725	2.2348	2.4595	657.9703696	644.499	0.192563441	-0.232624896	258.1175337	77.34	5	4	0	0	10
815	ClC1=CC2=CC=C(C3=NC(C4=NC5=CC=C(Br)C=C5S4)=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(Cl)=CC=C45)=N3)C=C2C=C1	1.9707	2.2347	2.4521	718.940755	705.364	0.192480795	-0.232623526	281.8640549	64.45	6	3	0	0	10
816	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=C(Br)C=C5)S4)=N3)SC2=C1	1.9605	2.2347	2.4788	691.9313972	679.952	0.192563441	-0.232623517	268.4207999	77.34	5	4	0	0	11
817	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=CC=C(I)C=C4C4=C5C=CC(I)=C4)=NC(C4=NC5=C(C=C(Br)C=C5)S4)=N3)SC2=C1	1.9544	2.2343	2.4814	943.7246932	933.76	0.192563441	-0.232623517	306.9444762	77.34	5	4	0	0	13
818	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(I)=CC=C45)=NC(C4=CC=C5C=C(Br)C=CC5=C4)=N3)C=CC2=C1	1.9785	2.2342	2.4318	803.9247054	786.774	0.192398127	-0.231940196	293.9626155	51.56	7	2	0	0	8
819	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=NC(C4=NC5=C(C=CC=C5)O4)=N3)C=CC2=C1	1.9689	2.2342	2.453	746.913083	733.747	0.265720471	-0.433541026	280.5823023	77.59	6	3	0	0	10
820	BrC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=NC(C4=CC=C5C=CC=CC5=C4)=N3)SC2=C1	1.9666	2.2342	2.4542	902.8119956	888.266	0.192480795	-0.232623526	299.7811987	64.45	6	3	0	0	10
821	ClC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=CC=C(I)C=C4S3)=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC(Cl)=CC=C34)=N1)=N2	1.9651	2.2337	2.4641	773.8785608	762.405	0.192563441	-0.232623604	284.1183567	77.34	5	4	0	0	12
822	ClC1=CC=C2C(=C1)C1=C(C=CC(Cl)=C1)C1=C2N=C(C2=NC(C3=NC4=C(C=CC=C4)S3)=NC(C3=CC4=CC=C(I)C=C4C=C3)=N2)S1	1.967	2.2334	2.4526	766.9268909	752.364	0.192480795	-0.232624905	287.2583454	64.45	6	3	0	0	10
823	ClC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=CC=C(Br)C=C4S3)=NC(C3=NC4=C(S3)C3=C(C=C(I)C=C3)C3=CC(I)=CC=C34)=N1)=N2	1.9582	2.2331	2.4725	943.7246932	933.76	0.192563441	-0.232623517	306.9444762	77.34	5	4	0	0	13
824	ClC1=CC=C(N(C2=CC=C(C3=CC=C4C=CC=CC4=C3)C=C2)C2=CC=C(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.9485	2.233	2.5056	638.1583475	612.007	0.124153376	-0.310503442	281.3095492	16.13	8	1	0	0	4
825	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(O4)C4=C(C=CC=C4)C4=CC=CC=C45)=N3)C=CC2=C1	1.9532	2.233	2.4777	942.9166549	923.835	0.265764317	-0.432842993	336.7342124	77.59	8	3	0	0	10
826	ClC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=C(Cl)C=C4)C4=CC(Cl)=CC=C45)=NC(C4=CC=C5C=C(Br)C=CC5=C4)=N3)=NC2=C1	1.9683	2.2327	2.4522	752.9017826	740.817	0.192480795	-0.232569554	292.1673211	64.45	6	3	0	0	11
827	ClC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=CC=C(Br)C=C4S3)=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC(Br)=CC=C34)=N1)=N2	1.9675	2.2324	2.4584	769.8419093	759.856	0.192563441	-0.232623517	282.2883475	77.34	5	4	0	0	12
828	IC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=CC=C4C=CC=CC4=C3)=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC(I)=CC=C34)=N2)S1	1.9646	2.2322	2.456	924.9327837	904.45	0.192480795	-0.231940186	331.2769801	64.45	8	3	0	0	9
829	BrC1=CC=C2C(=C1)C1=C(C=CC(Br)=C1)C1=C2N=C(C2=NC(C3=NC4=C(C=CC=C4)S3)=NC(C3=NC4=CC=C(I)C=C4S3)=N2)S1	1.9608	2.2319	2.4651	861.7775296	851.307	0.192563441	-0.232624896	291.2469194	77.34	5	4	0	0	12
830	BrC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(C=CC(Br)=C5)S4)=N3)=NC2=C1	1.9628	2.2316	2.4624	987.6741776	978.211	0.192563441	-0.232583051	310.5087575	77.34	5	4	0	0	13
831	IC1=CC=C2C(=C1)C1=CC(I)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(O3)C3=C(C=CC=C3)C3=CC=CC=C34)=NC(C3=NC4=C(C=CC=C4)O3)=N2)S1	1.9451	2.2314	2.492	899.9301408	882.355	0.265767059	-0.433541011	318.4449234	103.62	7	4	0	0	11
832	BrC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(C=CC=C5)S4)=N3)SC2=C1	1.9578	2.2313	2.4677	909.7636655	898.307	0.192563441	-0.232624896	296.6412099	77.34	5	4	0	0	12
833	BrC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=NC(C4=NC5=C(C=CC=C5)O4)=N3)SC2=C1	1.9592	2.2313	2.4685	797.8142373	788.239	0.26572193	-0.433541018	281.0065949	90.48	5	4	0	0	12
834	ClC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=CC=C(I)C=C4S3)=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC=CC=C34)=N1)=N2	1.9601	2.2313	2.4706	739.9175331	726.952	0.192563441	-0.232623604	273.8150904	77.34	5	4	0	0	11
835	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=NC(C4=CC=C5C=C(Br)C=CC5=C4)=N3)C=CC2=C1	1.9738	2.2312	2.4331	833.8490816	819.678	0.192398127	-0.231940196	302.4358726	51.56	7	2	0	0	9
836	ClC1=CC=C2C(=C1)C1=C(C=CC=C1)C1=C2N=C(C2=NC(C3=NC4=C(C=CC=C4)S3)=NC(C3=NC4=CC=C(Br)C=C4S3)=N2)S1	1.9668	2.2308	2.4541	691.9313972	679.952	0.192563441	-0.232624896	268.4207999	77.34	5	4	0	0	11
837	BrC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(I)=C4)=NC(C4=NC5=C(C=C(I)C=C5)S4)=N3)SC2=C1	1.9566	2.2308	2.4679	909.7636655	898.307	0.192563441	-0.232623604	296.6412099	77.34	5	4	0	0	12
838	IC1=CC=C2C(=C1)C1=CC(I)=CC=C1C1=C2N=C(C2=NC(C3=CC=C4C=CC=CC4=C3)=NC(C3=NC4=C(O3)C3=C(C=CC=C3)C3=CC=CC=C34)=N2)S1	1.957	2.2307	2.4621	908.9556273	888.382	0.265764317	-0.432842993	326.4309461	77.59	8	3	0	0	9
839	BrC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(C=CC=C5)S4)=N3)SC2=C1	1.9651	2.2306	2.4546	783.8670175	771.403	0.192563441	-0.232624896	277.3793718	77.34	5	4	0	0	11
840	BrC1=CC=C2C(=C1)C1=CC(Br)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(C=CC=C4)S3)=NC(C3=NC4=C(C=CC=C4)S3)=N2)S1	1.9679	2.2305	2.4514	735.8808816	724.403	0.192563441	-0.232624896	271.9850813	77.34	5	4	0	0	11
841	ClC1=CC=C2C(=C1)C1=C(C=CC=C1)C1=C2N=C(C2=NC(C3=CC=C4C=C(Br)C=CC4=C3)=NC(C3=NC4=CC=C(Br)C=C4S3)=N2)S1	1.9668	2.2305	2.448	762.8902394	749.815	0.192480795	-0.232623526	285.4283363	64.45	6	3	0	0	10
842	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(I)=CC=C45)=NC(C4=CC=C5C=C(I)C=CC5=C4)=N3)SC2=C1	1.9631	2.2304	2.45	858.8625112	843.815	0.192480795	-0.232623079	296.2169173	64.45	6	3	0	0	10
843	ClC1=CC=C2C(=C1)C1=C(C=CC=C1)C1=C2N=C(C2=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=NC(C3=NC4=CC=C(Br)C=C4S3)=N2)S1	1.9569	2.2304	2.469	943.7246932	933.76	0.192563441	-0.232623517	306.9444762	77.34	5	4	0	0	13
844	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(Cl)C=C4)C4=CC(Cl)=CC=C45)=NC(C4=NC5=C(C=CC=C5)S4)=N3)SC2=C1	1.9623	2.2303	2.4607	681.9429405	670.954	0.192563441	-0.232624896	275.1597848	77.34	5	4	0	0	12
845	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(Br)=CC=C45)=NC(C4=NC5=C(C=CC=C5)S4)=N3)SC2=C1	1.9674	2.2303	2.4518	691.9313972	679.952	0.192563441	-0.232624896	268.4207999	77.34	5	4	0	0	11
846	BrC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(Br)=CC=C45)=NC(C4=NC5=C(C=CC=C5)S4)=N3)SC2=C1	1.9668	2.23	2.452	735.8808816	724.403	0.192563441	-0.232624896	271.9850813	77.34	5	4	0	0	11
847	BrC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=NC(C4=CC=C5C=CC=CC5=C4)=N3)SC2=C1	1.9718	2.23	2.4388	806.8397238	794.266	0.192480795	-0.232623526	288.9926177	64.45	6	3	0	0	10
848	ClC1=CC2=CC=C(C3=NC(C4=NC5=CC=C(Cl)C=C5S4)=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=N3)C=C2C=C1	1.9587	2.2299	2.4569	892.8235388	879.268	0.192480795	-0.232623079	306.5201835	64.45	6	3	0	0	11
849	BrC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)SC2=C1	1.9481	2.2299	2.4801	1161.556961	1152.115	0.192563441	-0.232623517	335.1648862	77.34	5	4	0	0	14
850	BrC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(Br)=CC=C45)=NC(C4=CC=C5C=C(I)C=CC5=C4)=N3)=NC2=C1	1.9686	2.2297	2.4426	854.8258597	841.266	0.192480795	-0.232583061	294.3869082	64.45	6	3	0	0	10
851	BrC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=CC=C(Br)C=C4S3)=NC(C3=NC4=C(O3)C3=C(C=CC=C3)C3=CC=CC=C34)=N1)=N2	1.9618	2.2296	2.4572	719.9037253	708.335	0.265765777	-0.432842986	267.1390473	90.48	5	4	0	0	11
852	BrC1=CC2=C(C=C1)N=C(C1=NC(C3=CC4=CC=C(I)C=C4C=C3)=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)=N1)S2	1.9607	2.2291	2.4555	776.9153476	761.362	0.192480795	-0.232623526	280.5193606	64.45	6	3	0	0	9
853	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(C=CC=C5)S4)=N3)SC2=C1	1.9569	2.2291	2.463	865.8141811	853.856	0.192563441	-0.232624896	293.0769286	77.34	5	4	0	0	12
854	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(Cl)C=C4)C4=CC(Cl)=CC=C45)=NC(C4=CC=C5C=C(Br)C=CC5=C4)=N3)C=CC2=C1	1.9725	2.2287	2.4291	745.9501127	730.776	0.192398127	-0.231940192	295.3073099	51.56	7	2	0	0	9
855	BrC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=CC=C5C=CC=CC5=C4)=N3)=NC2=C1	1.9783	2.2287	2.4288	651.0186997	634.458	0.192480795	-0.232583061	261.2575224	64.45	6	3	0	0	8
856	ClC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=CC=C(Cl)C=C4S3)=NC(C3=NC4=C(S3)C3=C(C=C(Br)C=C3)C3=CC(Br)=CC=C34)=N1)=N2	1.9595	2.2285	2.4631	803.8029369	795.309	0.192563441	-0.23262307	292.5916138	77.34	5	4	0	0	13
857	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=NC(C4=CC=C5C=C(I)C=CC5=C4)=N3)SC2=C1	1.9585	2.2285	2.4552	888.7868874	876.719	0.192480795	-0.232623079	304.6901744	64.45	6	3	0	0	11
858	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=C(Br)C=C5)S4)=N3)SC2=C1	1.9551	2.2283	2.4642	675.9542408	663.884	0.265765777	-0.432842986	263.5747659	90.48	5	4	0	0	11
859	ClC1=CC=C2C(=C1)C1=C(C=CC=C1)C1=C2N=C(C2=NC(C3=CC=C4C=C(Br)C=CC4=C3)=NC(C3=NC4=CC=C(I)C=C4S3)=N2)S1	1.9631	2.2283	2.4469	810.8763753	796.815	0.192480795	-0.232623613	290.8226268	64.45	6	3	0	0	10
860	ClC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=CC=C6C=C(Cl)C=CC6=C5)C=C4)C4=CC=C(C5=CC=C6C=C(Br)C=CC6=C5)C=C4)C=C3)C=CC2=C1	1.9674	2.2282	2.4325	769.0938674	741.345	0.046153551	-0.310504491	320.9957815	3.24	9	0	0	0	4
861	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=CC=C5)O4)=N3)SC2=C1	1.9585	2.2282	2.4661	598.0437288	583.98	0.26572193	-0.433541018	249.7072183	90.48	5	4	0	0	10
862	ClC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)=NC2=C1	1.9564	2.2279	2.4648	1021.635205	1013.664	0.192563441	-0.23258437	320.8120238	77.34	5	4	0	0	14
863	BrC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=NC(C4=NC5=C(C=CC=C5)S4)=N3)=NC2=C1	1.9652	2.2276	2.4504	813.7913937	804.307	0.192563441	-0.232624896	285.8526289	77.34	5	4	0	0	12
864	BrC1=CC=C(N(C2=CC=C(C3=NC4=C(C=CC=C4)S3)C=C2)C2=CC=C(C3=NC4=C(C=CC=C4)S3)C=C2)C=C1	1.9334	2.2273	2.5133	589.0282017	570.411	0.124105151	-0.310503848	236.3705128	29.02	5	2	0	0	6
865	ClC1=CC=C2C(=C1)C1=C(C=CC(Cl)=C1)C1=C2N=C(C2=NC(C3=CC=C4C=C(Br)C=CC4=C3)=NC(C3=NC4=CC=C(I)C=C4S3)=N2)S1	1.9584	2.2272	2.4517	844.8374029	832.268	0.192480795	-0.232623613	301.125893	64.45	6	3	0	0	11
866	BrC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(I)=CC=C45)=NC(C4=CC=C5C=C(I)C=CC5=C4)=N3)C=CC2=C1	1.9706	2.2272	2.4253	895.8603257	878.225	0.192398127	-0.231940196	302.9211874	51.56	7	2	0	0	8
867	ClC1=CC=C2C(=C1)C1=C(C=CC=C1)C1=C2N=C(C2=NC(C3=NC4=C(C=CC=C4)S3)=NC(C3=NC4=CC(Br)=CC=C4S3)=N2)S1	1.97	2.2272	2.4415	691.9313972	679.952	0.192563441	-0.232624896	268.4207999	77.34	5	4	0	0	11
868	BrC1=CC=C2C(=C1)C1=C(C=CC(Br)=C1)C1=C2N=C(C2=NC(C3=NC4=C(C=CC=C4)O3)=NC(C3=NC4=CC=C(I)C=C4S3)=N2)S1	1.9542	2.2271	2.4646	845.8003732	835.239	0.26572193	-0.433541018	286.4008854	90.48	5	4	0	0	12
869	IC1=CC2=C(C=C1)N=C(C1=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=CC(I)=CC=C34)=NC(C3=NC4=C(C=C(I)C=C4)S3)=N1)S2	1.9516	2.227	2.4654	957.7498014	945.307	0.192563441	-0.232623604	302.0355005	77.34	5	4	0	0	12
870	IC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(C=C(I)C=C5)S4)=N3)SC2=C1	1.9443	2.227	2.477	1083.646449	1072.211	0.192563441	-0.232623604	321.2973386	77.34	5	4	0	0	13
871	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(Cl)=CC=C45)=NC(C4=CC=C5C=C(Br)C=CC5=C4)=N3)SC2=C1	1.9645	2.2268	2.4429	718.940755	705.364	0.192480795	-0.232623079	281.8640549	64.45	6	3	0	0	10
872	ClC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=CC=C4C=C(Br)C=CC4=C3)=NC(C3=CC=C4C=C(Br)C=CC4=C3)=N2)S1	1.9738	2.2268	2.4227	755.9385695	739.774	0.192398127	-0.231940192	288.568325	51.56	7	2	0	0	8
873	BrC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(C=CC=C4)S3)=NC(C3=NC4=C(C=CC=C4)S3)=N2)S1	1.9702	2.2263	2.4375	657.9703696	644.499	0.192563441	-0.232624896	258.1175337	77.34	5	4	0	0	10
874	IC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=CC=C5)O4)=N3)SC2=C1	1.9546	2.2263	2.4654	689.9793491	675.431	0.26572193	-0.433541018	258.6657902	90.48	5	4	0	0	10
875	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=C(I)C=C5)S4)=N3)C=CC2=C1	1.9637	2.2262	2.4426	732.9658632	716.911	0.192480795	-0.232623613	276.9550792	64.45	6	3	0	0	9
876	ClC1=CC2=C(C=C1)N=C(C1=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=CC(Br)=CC=C34)=NC(C3=NC4=C(C=C(Cl)C=C4)S3)=N1)S2	1.9584	2.2259	2.457	725.8924249	715.405	0.192563441	-0.23262307	278.7240662	77.34	5	4	0	0	12
877	ClC1=CC=C2C(=C1)C1=C(C=CC(Cl)=C1)C1=C2N=C(C2=NC(C3=NC4=C(C=CC=C4)S3)=NC(C3=CC4=CC=C(Br)C=C4C=C3)=N2)S1	1.9689	2.2258	2.4327	718.940755	705.364	0.192480795	-0.232624905	281.8640549	64.45	6	3	0	0	10
878	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)SC2=C1	1.9607	2.2257	2.4557	614.0208852	600.048	0.192563441	-0.232624896	254.5532523	77.34	5	4	0	0	10
879	ClC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=NC(C4=CC=C5C=CC=CC5=C4)=N3)=NC2=C1	1.9733	2.2257	2.4272	762.8902394	749.815	0.192480795	-0.232569554	285.4283363	64.45	6	3	0	0	10
880	C1=CC=C(N(C2=CC=C(C3=NC4=C(C=CC=C4)O3)C=C2)C2=CC=C(C3=NC4=C(C=CC=C4)S3)C=C2)C=C1	1.9305	2.2254	2.5128	495.1405333	474.439	0.226807953	-0.436094686	217.6569312	42.16	5	2	0	0	5
881	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(Br)=CC=C45)=NC(C4=CC=C5C=C(I)C=CC5=C4)=N3)SC2=C1	1.961	2.2253	2.4431	810.8763753	796.815	0.192480795	-0.232623079	290.8226268	64.45	6	3	0	0	10
882	ClC1=CC=C2C=C(C3=CC=C(N(C4=CC=CC=C4)C4=CC=C(C5=NC6=C(O5)C5=CC=CC=C5C5=C6C=CC=C5)C=C4)C=C3)C=CC2=C1	1.9465	2.2253	2.4761	622.1811912	595.939	0.226864211	-0.43540916	276.4635152	29.27	8	1	0	0	4
883	ClC1=CC=C2C=C(C3=NC(C4=CC=C5C=C(Br)C=CC5=C4)=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC=CC=C45)=N3)C=CC2=C1	1.9714	2.2253	2.425	678.0280574	659.87	0.192398127	-0.231940206	274.7007774	51.56	7	2	0	0	7
884	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=NC(C4=CC=C5C=CC=CC5=C4)=N3)C=CC2=C1	1.9723	2.2253	2.423	755.9385695	739.774	0.192398127	-0.231940196	288.568325	51.56	7	2	0	0	8
885	ClC1=CC2=C(C=C1)N=C(C1=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=CC(I)=CC=C34)=NC(C3=NC4=C(C=C(Cl)C=C4)S3)=N1)S2	1.9561	2.2252	2.4569	773.8785608	762.405	0.192563441	-0.23262307	284.1183567	77.34	5	4	0	0	12
886	BrC1=CC=C2C(=C1)C1=C(C=CC=C1)C1=C2N=C(C2=NC(C3=CC=C4C=C(I)C=CC4=C3)=NC(C3=NC4=CC=C(I)C=C4S3)=N2)S1	1.9619	2.2252	2.4388	902.8119956	888.266	0.192480795	-0.232623613	299.7811987	64.45	6	3	0	0	10
887	ClC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(C=CC(Br)=C4)S3)=NC(C3=NC4=C(C=CC(Br)=C4)S3)=N2)S1	1.9678	2.2251	2.4415	769.8419093	759.856	0.192563441	-0.232583051	282.2883475	77.34	5	4	0	0	12
888	ClC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(C=C(I)C=C4)S3)=NC(C3=NC4=C(C=C(I)C=C4)S3)=N2)S1	1.9511	2.2251	2.4637	865.8141811	853.856	0.192563441	-0.232623604	293.0769286	77.34	5	4	0	0	12
889	ClC1=CC2=CC=C(C3=NC(C4=NC5=CC=C(I)C=C5S4)=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=N3)C=C2C=C1	1.9531	2.2251	2.4528	984.7591592	970.719	0.192480795	-0.232623613	315.4787554	64.45	6	3	0	0	11
890	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=NC(C4=NC5=C(C=CC=C5)S4)=N3)C=CC2=C1	1.9644	2.2249	2.4385	762.8902394	749.815	0.192480795	-0.232624905	285.4283363	64.45	6	3	0	0	10
891	BrC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC=CC=C45)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)SC2=C1	1.9507	2.2248	2.4691	909.7636655	898.307	0.192563441	-0.232623517	296.6412099	77.34	5	4	0	0	12
892	ClC1=CC=C2C(=C1)C1=C(C=CC(Cl)=C1)C1=C2N=C(C2=NC(C3=CC=C4C=C(Br)C=CC4=C3)=NC(C3=NC4=CC(Br)=CC=C4S3)=N2)S1	1.9637	2.2248	2.4403	796.851267	785.268	0.192480795	-0.232583061	295.7316025	64.45	6	3	0	0	11
893	BrC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=NC(C4=CC=C5C=CC=CC5=C4)=N3)=NC2=C1	1.9727	2.2247	2.4258	806.8397238	794.266	0.192480795	-0.232583061	288.9926177	64.45	6	3	0	0	10
894	BrC1=CC=C2N=C(C3=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=C(I)C=C5)S4)=N3)SC2=C1	1.9498	2.2245	2.4617	767.8898612	755.335	0.265765777	-0.432842986	272.5333378	90.48	5	4	0	0	11
895	ClC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=CC=C6C=C(Cl)C=CC6=C5)C=C4)C4=CC=C(C5=NC6=C(C=CC=C6)O5)C=C4)C=C3)C=CC2=C1	1.9495	2.2243	2.4561	682.1578689	655.414	0.226807953	-0.436094686	299.1422111	29.27	8	1	0	0	5
896	BrC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=CC=C(Br)C=C4S3)=NC(C3=NC4=C(S3)C3=C(C=C(I)C=C3)C3=CC(I)=CC=C34)=N1)=N2	1.9521	2.2241	2.4611	987.6741776	978.211	0.192563441	-0.232623517	310.5087575	77.34	5	4	0	0	13
897	ClC1=CC=C2C(=C1)C1=C(C=CC(Cl)=C1)C1=C2N=C(C2=NC(C3=CC=C4C=CC=CC4=C3)=NC(C3=CC4=CC=C(Br)C=C4C=C3)=N2)S1	1.9711	2.224	2.4216	711.9890851	695.323	0.192398127	-0.231940192	285.0040436	51.56	7	2	0	0	8
898	IC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=C(I)C=C5)S4)=N3)SC2=C1	1.948	2.224	2.4695	831.8531534	818.403	0.192563441	-0.232623604	282.7736623	77.34	5	4	0	0	11
899	BrC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=CC=C5C=CC=CC5=C4)=N3)C=CC2=C1	1.9732	2.2239	2.4208	644.0670298	624.417	0.192398127	-0.231940206	264.3975112	51.56	7	2	0	0	6
900	ClC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=CC=C(Br)C=C4S3)=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC(I)=CC=C34)=N1)=N2	1.9595	2.2239	2.449	817.8280452	806.856	0.192563441	-0.232623517	287.682638	77.34	5	4	0	0	12
901	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC=CC=C45)=NC(C4=NC5=C(C=CC(Br)=C5)S4)=N3)SC2=C1	1.9589	2.2239	2.4557	691.9313972	679.952	0.192563441	-0.23262307	268.4207999	77.34	5	4	0	0	11
902	C1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=CC=C6C=CC=CC6=C5)C=C4)C4=CC=C(C5=NC6=C(C=CC=C6)O5)C=C4)C=C3)C=CC2=C1	1.952	2.2236	2.4525	614.2358136	584.508	0.226807953	-0.436094686	278.5356787	29.27	8	1	0	0	3
903	ClC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=CC=C6C=C(I)C=CC6=C5)C=C4)C4=CC=C(C5=NC6=C(C=CC=C6)O5)C=C4)C=C3)C=CC2=C1	1.9445	2.2235	2.4604	774.0934892	746.865	0.226807953	-0.436094686	308.100783	29.27	8	1	0	0	5
904	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(I)=C4)=NC(C4=NC5=C(C=C(Br)C=C5)S4)=N3)SC2=C1	1.9547	2.2234	2.4544	817.8280452	806.856	0.192563441	-0.232623517	287.682638	77.34	5	4	0	0	12
905	BrC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=CC=C5C=CC=CC5=C4)=N3)SC2=C1	1.966	2.2232	2.4348	651.0186997	634.458	0.192480795	-0.232623526	261.2575224	64.45	6	3	0	0	8
906	ClC1=CC2=C(C=C1)C1=C(SC(C3=NC(C4=NC5=C(C=CC=C5)S4)=NC(C4=CC5=CC=C(I)C=C5C=C4)=N3)=N1)C1=CC=CC=C21	1.9637	2.2228	2.4325	732.9658632	716.911	0.192480795	-0.232624905	276.9550792	64.45	6	3	0	0	9
907	ClC1=CC2=CC=C(C3=NC(C4=NC5=CC(Cl)=CC=C5S4)=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=N3)C=C2C=C1	1.9658	2.2224	2.431	796.851267	785.268	0.192480795	-0.232569554	295.7316025	64.45	6	3	0	0	11
908	BrC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=CC=C(Br)C=C4S3)=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC(I)=CC=C34)=N1)=N2	1.9586	2.222	2.4458	861.7775296	851.307	0.192563441	-0.232623517	291.2469194	77.34	5	4	0	0	12
909	ClC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(C=CC=C4)S3)=NC(C3=NC4=C(C=CC=C4)S3)=N2)S1	1.9667	2.2219	2.4327	614.0208852	600.048	0.192563441	-0.232624896	254.5532523	77.34	5	4	0	0	10
910	ClC1=CC=C2C(=C1)C1=C(C=CC(Cl)=C1)C1=C2N=C(C2=NC(C3=NC4=C(C=CC=C4)O3)=NC(C3=NC4=CC=C(I)C=C4S3)=N2)S1	1.9508	2.2217	2.4563	757.9014044	746.337	0.26572193	-0.433541018	279.2723227	90.48	5	4	0	0	12
911	BrC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=CC=C6C=CC=CC6=C5)C=C4)C4=CC=C(C5=CC=C6C=CC=CC6=C5)C=C4)C=C3)C=CC2=C1	1.9699	2.2216	2.4142	701.1718121	670.439	0.046153551	-0.310504491	300.389249	3.24	9	0	0	0	2
912	BrC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=C(I)C=C5)S4)=N3)C=CC2=C1	1.9595	2.2213	2.4377	776.9153476	761.362	0.192480795	-0.232623613	280.5193606	64.45	6	3	0	0	9
913	BrC1=CC=C2C(=C1)C1=C(C=CC(Br)=C1)C1=C2N=C(C2=NC(C3=CC=C4C=C(I)C=CC4=C3)=NC(C3=CC4=CC=C(I)C=C4C=C3)=N2)S1	1.9611	2.2212	2.4259	973.7708378	958.129	0.192398127	-0.231940196	316.788735	51.56	7	2	0	0	9
914	N#CC1=CC=C(N(C2=CC=C(C3=CC=C4C=C(Cl)C=CC4=C3)C=C2)C2=CC=C(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.9462	2.2209	2.4594	647.1764401	621.957	0.226864211	-0.43540916	287.221037	53.06	8	1	0	0	5
915	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(Br)=CC=C45)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)SC2=C1	1.9515	2.2208	2.4542	943.7246932	933.76	0.192563441	-0.23262307	306.9444762	77.34	5	4	0	0	13
916	BrC1=CC=C2C(=C1)C1=C(C=CC(Br)=C1)C1=C2N=C(C2=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=NC(C3=CC4=CC=C(I)C=C4C=C3)=N2)S1	1.9506	2.2206	2.4478	1106.619156	1095.074	0.192480795	-0.232584379	332.9105844	64.45	6	3	0	0	12
917	BrC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(Br)=CC=C45)=NC(C4=CC=C5C=CC=CC5=C4)=N3)C=CC2=C1	1.973	2.2203	2.4103	721.9775418	704.321	0.192398127	-0.231940196	278.2650588	51.56	7	2	0	0	7
918	ClC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=CC=C6C=CC=CC6=C5)C=C4)C4=CC=C(C5=NC6=C(C=CC=C6)O5)C=C4)C=C3)C=CC2=C1	1.9469	2.2202	2.4515	648.1968412	619.961	0.226807953	-0.436094686	288.8389449	29.27	8	1	0	0	4
919	IC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)SC2=C1	1.9467	2.2202	2.4573	1083.646449	1072.211	0.192563441	-0.232623604	321.2973386	77.34	5	4	0	0	13
920	BrC1=CC=C2C(=C1)C1=C(C=CC(Br)=C1)C1=C2N=C(C2=NC(C3=CC=C4C=C(I)C=CC4=C3)=NC(C3=NC4=CC=C(I)C=C4S3)=N2)S1	1.954	2.2201	2.4398	980.7225077	968.17	0.192480795	-0.232623613	313.6487463	64.45	6	3	0	0	11
921	IC1=CC=C2C=C(C3=NC(C4=CC=C5C=C(I)C=CC5=C4)=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=N3)C=CC2=C1	1.9603	2.2201	2.4279	817.9498136	798.321	0.192398127	-0.231940206	289.0536398	51.56	7	2	0	0	7
922	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(I)=CC=C45)=NC(C4=CC=C5C=C(Br)C=CC5=C4)=N3)SC2=C1	1.9584	2.2201	2.4344	810.8763753	796.815	0.192480795	-0.232623079	290.8226268	64.45	6	3	0	0	10
923	ClC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(Br)=C4)=NC(C4=NC5=C(C=CC(Br)=C5)S4)=N3)=NC2=C1	1.9642	2.22	2.4348	769.8419093	759.856	0.192563441	-0.232583051	282.2883475	77.34	5	4	0	0	12
924	BrC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=CC=C6C=CC=CC6=C5)C=C4)C4=CC=C(C5=CC=C6C=C(Br)C=CC6=C5)C=C4)C=C3)C=CC2=C1	1.9645	2.2195	2.417	779.0823242	750.343	0.046153551	-0.310504491	314.2567966	3.24	9	0	0	0	3
925	BrC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=CC(Br)=C5)S4)=N3)C=CC2=C1	1.9658	2.2193	2.4258	728.9292117	714.362	0.192480795	-0.232583061	275.1250701	64.45	6	3	0	0	9
926	ClC1=CC=C(N(C2=CC=C(C3=CC=C4C=C(Br)C=CC4=C3)C=C2)C2=CC=C(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.9447	2.2192	2.4616	700.0917032	675.843	0.226864211	-0.43540916	290.3310628	29.27	8	1	0	0	5
927	BrC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=CC=C5)O4)=N3)SC2=C1	1.9524	2.2192	2.4535	641.9932132	628.431	0.26572193	-0.433541018	253.2714997	90.48	5	4	0	0	10
928	ClC1=CC=C2C(=C1)C1=CC(Cl)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(C=CC=C4)S3)=NC(C3=NC4=C(C=CC=C4)S3)=N2)S1	1.9605	2.2191	2.4354	647.9819128	635.501	0.192563441	-0.232624896	264.8565185	77.34	5	4	0	0	11
929	ClC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=CC=C6C=C(Br)C=CC6=C5)C=C4)C4=CC=C(C5=CC=C6C=C(Br)C=CC6=C5)C=C4)C=C3)C=CC2=C1	1.9616	2.219	2.4197	813.0433518	785.796	0.046153551	-0.310504491	324.5600629	3.24	9	0	0	0	4
930	BrC1=CC2=CC=C(C3=NC(C4=NC5=CC(Br)=CC=C5S4)=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(I)=CC=C45)=N3)C=C2C=C1	1.9623	2.2189	2.4266	854.8258597	841.266	0.192480795	-0.232583061	294.3869082	64.45	6	3	0	0	10
931	BrC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(C=CC=C5)S4)=N3)C=CC2=C1	1.9595	2.2188	2.4282	902.8119956	888.266	0.192480795	-0.232624905	299.7811987	64.45	6	3	0	0	10
932	BrC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=CC=C6C=C(I)C=CC6=C5)C=C4)C4=CC=C(C5=CC=C6C=C(I)C=CC6=C5)C=C4)C=C3)C=CC2=C1	1.956	2.2188	2.425	952.9651081	924.247	0.046153551	-0.310504491	338.9129253	3.24	9	0	0	0	4
933	ClC1=CC=C2C(=C1)C1=C(C=CC(Cl)=C1)C1=C2N=C(C2=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=NC(C3=CC4=CC=C(I)C=C4C=C3)=N2)S1	1.95	2.2187	2.4437	1018.720187	1006.172	0.192480795	-0.232584379	325.7820217	64.45	6	3	0	0	12
934	ClC1=CC2=CC=C(C3=NC(C4=NC5=CC=C(Cl)C=C5S4)=NC(C4=NC5=C(S4)C4=C(C=C(Cl)C=C4)C4=CC(Cl)=CC=C45)=N3)C=C2C=C1	1.9557	2.2187	2.4372	708.9522982	696.366	0.192480795	-0.232623079	288.6030397	64.45	6	3	0	0	11
935	IC1=CC2=CC=C(C3=NC(C4=NC5=CC=C(I)C=C5S4)=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=N3)C=C2C=C1	1.9455	2.2185	2.4472	1076.694779	1062.17	0.192480795	-0.232623613	324.4373273	64.45	6	3	0	0	11
936	ClC1=CC2=CC=C(C3=NC(C4=NC5=CC=C(Cl)C=C5S4)=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(Cl)=CC=C45)=N3)C=C2C=C1	1.9593	2.2182	2.4308	674.9912706	660.913	0.192480795	-0.232623079	278.2997735	64.45	6	3	0	0	10
937	ClC1=CC=C2C(=C1)C1=C(C=CC=C1)C1=C2N=C(C2=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=NC(C3=NC4=CC(Br)=CC=C4S3)=N2)S1	1.9544	2.2181	2.4435	943.7246932	933.76	0.192563441	-0.23258437	306.9444762	77.34	5	4	0	0	13
938	N#CC1=CC=C(N(C2=CC=C(C3=CC=C4C=C(I)C=CC4=C3)C=C2)C2=CC=C(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.943	2.2181	2.4557	739.1120605	713.408	0.226864211	-0.43540916	296.1796089	53.06	8	1	0	0	5
939	IC1=CC=C2N=C(C3=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=C(I)C=C5)S4)=N3)SC2=C1	1.9428	2.218	2.4556	815.8759971	802.335	0.265765777	-0.432842986	277.9276283	90.48	5	4	0	0	11
940	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(Cl)=CC=C45)=NC(C4=NC5=C(C=CC=C5)S4)=N3)SC2=C1	1.9584	2.2179	2.4366	647.9819128	635.501	0.192563441	-0.232624896	264.8565185	77.34	5	4	0	0	11
941	BrC1=CC2=C(C=C1)C1=C(SC(C3=NC(C4=NC5=C(C=CC=C5)S4)=NC(C4=CC5=CC=C(I)C=C5C=C4)=N3)=N1)C1=CC=CC=C21	1.9609	2.2177	2.4248	776.9153476	761.362	0.192480795	-0.232624905	280.5193606	64.45	6	3	0	0	9
942	ClC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=CC=C(Br)C=C4S3)=NC(C3=NC4=C(O3)C3=C(C=CC=C3)C3=CC=CC=C34)=N1)=N2	1.9524	2.2177	2.4438	675.9542408	663.884	0.265765777	-0.432842986	263.5747659	90.48	5	4	0	0	11
943	ClC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=CC=C(Cl)C=C4S3)=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC=CC=C34)=N1)=N2	1.9539	2.2177	2.4491	647.9819128	635.501	0.192563441	-0.23262307	264.8565185	77.34	5	4	0	0	11
944	IC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(C=CC=C5)S4)=N3)C=CC2=C1	1.9517	2.2177	2.4364	950.7981315	935.266	0.192480795	-0.232624905	305.1754892	64.45	6	3	0	0	10
945	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(Cl)C=C4)C4=CC(Cl)=CC=C45)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)SC2=C1	1.9449	2.2174	2.4569	933.7362364	924.762	0.192563441	-0.23262307	313.683461	77.34	5	4	0	0	14
946	IC1=CC=C2C=C(C3=CC=C(N(C4=CC=CC=C4)C4=CC=C(C5=NC6=C(O5)C5=CC=CC=C5C5=C6C=CC=C5)C=C4)C=C3)C=CC2=C1	1.9395	2.2173	2.4662	714.1168115	687.39	0.226864211	-0.43540916	285.4220871	29.27	8	1	0	0	4
947	BrC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=CC=C6C=C(Br)C=CC6=C5)C=C4)C4=CC=C(C5=CC=C6C=C(I)C=CC6=C5)C=C4)C=C3)C=CC2=C1	1.9578	2.217	2.4194	904.9789722	877.247	0.046153551	-0.310504491	333.5186347	3.24	9	0	0	0	4
948	IC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=CC=C6C=CC=CC6=C5)C=C4)C4=CC=C(C5=CC=C6C=C(I)C=CC6=C5)C=C4)C=C3)C=CC2=C1	1.9572	2.217	2.4195	875.054596	844.343	0.046153551	-0.310504491	325.0453777	3.24	9	0	0	0	3
949	BrC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(Br)=CC=C45)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)=NC2=C1	1.9539	2.2167	2.4406	987.6741776	978.211	0.192563441	-0.23258437	310.5087575	77.34	5	4	0	0	13
950	ClC1=CC2=CC=C(C3=NC(C4=NC5=CC=C(Cl)C=C5S4)=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(I)=CC=C45)=N3)C=C2C=C1	1.9569	2.2166	2.4286	766.9268909	752.364	0.192480795	-0.232623079	287.2583454	64.45	6	3	0	0	10
951	ClC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=CC=C5C=CC=CC5=C4)=N3)=NC2=C1	1.965	2.2164	2.4214	607.0692153	590.007	0.192480795	-0.232569554	257.6932411	64.45	6	3	0	0	8
952	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(C=CC=C5)S4)=N3)C=CC2=C1	1.9542	2.2162	2.4307	858.8625112	843.815	0.192480795	-0.232624905	296.2169173	64.45	6	3	0	0	10
953	ClC1=CC2=C(C=C1)C1=C(SC(C3=NC(C4=NC5=C(C=CC=C5)O4)=NC(C4=NC5=CC=C(Br)C=C5S4)=N3)=N1)C1=CC=CC=C21	1.9532	2.2159	2.4403	675.9542408	663.884	0.26572193	-0.433541018	263.5747659	90.48	5	4	0	0	11
954	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(I)=C4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)C=CC2=C1	1.9611	2.2159	2.4199	732.9658632	716.911	0.192480795	-0.232624905	276.9550792	64.45	6	3	0	0	9
955	ClC1=CC2=CC=C(C3=NC(C4=NC5=CC=C(Br)C=C5S4)=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(I)=CC=C45)=N3)C=C2C=C1	1.9563	2.2158	2.4275	810.8763753	796.815	0.192480795	-0.232623526	290.8226268	64.45	6	3	0	0	10
956	ClC1=CC2=CC=C(C3=NC(C4=NC5=CC=C(I)C=C5S4)=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(Br)=CC=C45)=N3)C=C2C=C1	1.9589	2.2155	2.4221	810.8763753	796.815	0.192480795	-0.232623613	290.8226268	64.45	6	3	0	0	10
957	ClC1=CC2=CC=C(C3=CC=C(N(C4=CC=C(Br)C=C4)C4=CC=C(C5=NC6=C(O5)C5=CC=CC=C5C5=C6C=CC=C5)C=C4)C=C3)C=C2C=C1	1.9433	2.2155	2.4549	700.0917032	675.843	0.226864211	-0.43540916	290.3310628	29.27	8	1	0	0	5
958	BrC1=CC=C2C(=C1)C1=CC(Br)=CC=C1C1=C2N=C(C2=NC(C3=CC=C4C=CC=CC4=C3)=NC(C3=CC=C4C=CC=CC4=C3)=N2)S1	1.9694	2.2152	2.404	721.9775418	704.321	0.192398127	-0.231940196	278.2650588	51.56	7	2	0	0	7
959	BrC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(Br)=CC=C45)=NC(C4=CC=C5C=C(I)C=CC5=C4)=N3)C=CC2=C1	1.9634	2.2148	2.4091	847.8741898	831.225	0.192398127	-0.231940196	297.5268969	51.56	7	2	0	0	8
960	IC1=CC=C2C(=C1)C1=CC(I)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=N2)S1	1.9352	2.2146	2.4631	1335.439745	1326.019	0.192563441	-0.23258437	359.8210148	77.34	5	4	0	0	15
961	C1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)=NC2=C1	1.9589	2.2145	2.4304	580.0598575	564.595	0.192563441	-0.232624896	244.2499861	77.34	5	4	0	0	9
962	ClC1=CC2=CC=C(C3=NC(C4=NC5=CC(Br)=CC=C5S4)=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=N3)C=C2C=C1	1.9566	2.2145	2.4235	936.7730233	923.719	0.192480795	-0.232583061	310.0844649	64.45	6	3	0	0	11
963	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(C=CC=C5)O4)=N3)C=CC2=C1	1.9508	2.2145	2.4311	842.8853548	827.747	0.265720471	-0.433541026	291.3708833	77.59	6	3	0	0	10
964	ClC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(Cl)=CC=C45)=NC(C4=CC=C5C=C(Br)C=CC5=C4)=N3)=NC2=C1	1.9599	2.2144	2.4218	718.940755	705.364	0.192480795	-0.232569554	281.8640549	64.45	6	3	0	0	10
965	BrC1=CC=C2SC(C3=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=CC(Br)=C5)S4)=N3)=NC2=C1	1.9567	2.2144	2.4294	719.9037253	708.335	0.265765777	-0.432842986	267.1390473	90.48	5	4	0	0	11
966	ClC1=CC=C(N(C2=CC=C(C3=NC4=C(C=CC=C4)O3)C=C2)C2=CC=C(C3=NC4=C(C=CC=C4)S3)C=C2)C=C1	1.9287	2.2142	2.4825	529.1015609	509.892	0.226807953	-0.436094686	227.9601974	42.16	5	2	0	0	6
967	ClC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(I)=CC=C45)=NC(C4=CC=C5C=C(Br)C=CC5=C4)=N3)=NC2=C1	1.9582	2.2142	2.4217	810.8763753	796.815	0.192480795	-0.232569554	290.8226268	64.45	6	3	0	0	10
968	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(Cl)C=C4)C4=CC(Cl)=CC=C45)=NC(C4=CC=C5C=C(Cl)C=CC5=C4)=N3)C=CC2=C1	1.9628	2.2141	2.4098	702.0006283	686.325	0.192398127	-0.231940192	291.7430285	51.56	7	2	0	0	9
969	ClC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=CC(Br)=CC=C34)=NC(C3=NC4=C(C=CC(Cl)=C4)S3)=N1)=N2	1.9598	2.214	2.4273	725.8924249	715.405	0.192563441	-0.232569545	278.7240662	77.34	5	4	0	0	12
970	IC1=CC=C(N(C2=CC=C(C3=NC4=C(C=CC=C4)S3)C=C2)C2=CC=C(C3=NC4=C(C=CC=C4)S3)C=C2)C=C1	1.923	2.214	2.4948	637.0143376	617.411	0.124105151	-0.310503931	241.7648033	29.02	5	2	0	0	6
971	N#CC1=CC=C(N(C2=CC=C(C3=CC=C4C=CC=CC4=C3)C=C2)C2=CC=C(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.9437	2.2139	2.4478	613.2154125	586.504	0.226864211	-0.43540916	276.9177708	53.06	8	1	0	0	4
972	BrC1=CC=C2C=C(C3=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=C(I)C=C5)S4)=N3)C=CC2=C1	1.9534	2.2138	2.4232	760.9381913	745.294	0.265764317	-0.432842993	275.6733266	77.59	6	3	0	0	9
973	ClC1=CC2=CC=C(C3=NC(C4=NC5=CC(Cl)=CC=C5S4)=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(Br)=CC=C45)=N3)C=C2C=C1	1.9606	2.2137	2.4188	718.940755	705.364	0.192480795	-0.232569554	281.8640549	64.45	6	3	0	0	10
974	BrC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=CC=C4C=C(I)C=CC4=C3)=NC(C3=CC=C4C=C(I)C=CC4=C3)=N2)S1	1.96	2.2136	2.4093	895.8603257	878.225	0.192398127	-0.231940196	302.9211874	51.56	7	2	0	0	8
975	ClC1=CC2=C(C=C1)C1=C(SC(C3=NC(C4=NC5=C(C=CC=C5)S4)=NC(C4=CC5=CC=C(Br)C=C5C=C4)=N3)=N1)C1=CC=CC=C21	1.9641	2.213	2.4099	684.9797273	669.911	0.192480795	-0.232624905	271.5607887	64.45	6	3	0	0	9
976	ClC1=CC2=CC=C(C3=NC(C4=NC5=CC(Cl)=CC=C5S4)=NC(C4=NC5=C(S4)C4=C(C=C(Cl)C=C4)C4=CC(Cl)=CC=C45)=N3)C=C2C=C1	1.9552	2.2124	2.424	708.9522982	696.366	0.192480795	-0.232569554	288.6030397	64.45	6	3	0	0	11
977	BrC1=CC=C2C(=C1)C1=C(C=CC(Br)=C1)C1=C2N=C(C2=NC(C3=CC=C4C=CC=CC4=C3)=NC(C3=NC4=CC=C(I)C=C4S3)=N2)S1	1.9573	2.2123	2.4177	854.8258597	841.266	0.192480795	-0.232623613	294.3869082	64.45	6	3	0	0	10
978	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(I)=C4)=NC(C4=NC5=C(C=C(I)C=C5)S4)=N3)SC2=C1	1.9443	2.2123	2.4427	865.8141811	853.856	0.192563441	-0.232623604	293.0769286	77.34	5	4	0	0	12
979	BrC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(Br)=CC=C45)=NC(C4=NC5=C(C=CC=C5)S4)=N3)C=CC2=C1	1.9597	2.2123	2.4154	728.9292117	714.362	0.192480795	-0.232624905	275.1250701	64.45	6	3	0	0	9
980	ClC1=CC2=C(C=C1)SC(C1=NC(C3=CC4=CC=C(Br)C=C4C=C3)=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)=N1)=N2	1.9602	2.2122	2.4175	684.9797273	669.911	0.192480795	-0.232569554	271.5607887	64.45	6	3	0	0	9
981	BrC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=NC(C4=NC5=C(C=CC=C5)O4)=N3)C=CC2=C1	1.9584	2.2119	2.4152	790.8625674	778.198	0.265720471	-0.433541026	284.1465837	77.59	6	3	0	0	10
982	ClC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=CC=C(Cl)C=C4C4=C5C=CC(Cl)=C4)=NC(C4=NC5=C(C=CC(Br)=C5)S4)=N3)=NC2=C1	1.9541	2.2118	2.4311	759.8534525	750.858	0.192563441	-0.232583051	289.0273324	77.34	5	4	0	0	13
983	BrC1=CC=C2C=C(C3=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)C=CC2=C1	1.9598	2.2115	2.4095	635.0415433	618.39	0.265764317	-0.432842993	256.4114884	77.59	6	3	0	0	8
984	BrC1=CC=C2C(=C1)C1=CC(Br)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(C=CC=C4)O3)=NC(C3=NC4=C(C=CC=C4)S3)=N2)S1	1.9513	2.2113	2.4317	719.9037253	708.335	0.26572193	-0.433541018	267.1390473	90.48	5	4	0	0	11
985	BrC1=CC2=C(C=C1)C1=C(SC(C3=NC(C4=NC5=C(C=CC=C5)O4)=NC(C4=NC5=CC=C(I)C=C5S4)=N3)=N1)C1=CC=CC=C21	1.9478	2.2113	2.4356	767.8898612	755.335	0.26572193	-0.433541018	272.5333378	90.48	5	4	0	0	11
986	BrC1=CC2=CC=C(C3=NC(C4=NC5=CC=C(I)C=C5S4)=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(I)=CC=C45)=N3)C=C2C=C1	1.9532	2.2108	2.418	902.8119956	888.266	0.192480795	-0.232623613	299.7811987	64.45	6	3	0	0	10
987	IC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC=CC=C45)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)SC2=C1	1.9384	2.2103	2.4523	957.7498014	945.307	0.192563441	-0.232623604	302.0355005	77.34	5	4	0	0	12
988	ClC1=CC2=CC=C(C3=CC=C(N(C4=CC=C(I)C=C4)C4=CC=C(C5=NC6=C(O5)C5=CC=CC=C5C5=C6C=CC=C5)C=C4)C=C3)C=C2C=C1	1.9378	2.2103	2.4493	748.0778391	722.843	0.226864211	-0.43540916	295.7253533	29.27	8	1	0	0	5
989	IC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=CC=C5)O4)=N3)C=CC2=C1	1.9563	2.2102	2.4152	683.0276792	665.39	0.265720471	-0.433541026	261.805779	77.59	6	3	0	0	8
990	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=NC(C4=CC=C5C=CC=CC5=C4)=N3)C=CC2=C1	1.9573	2.2102	2.4076	851.9108413	833.774	0.192398127	-0.231940196	299.3569061	51.56	7	2	0	0	8
991	BrC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(I)=C4)=NC(C4=CC=C5C=CC=CC5=C4)=N3)SC2=C1	1.9576	2.2102	2.412	776.9153476	761.362	0.192480795	-0.232623526	280.5193606	64.45	6	3	0	0	9
992	ClC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=CC=C(I)C=C4S3)=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC(Br)=CC=C34)=N1)=N2	1.9492	2.2101	2.4324	817.8280452	806.856	0.192563441	-0.232623604	287.682638	77.34	5	4	0	0	12
993	ClC1=CC2=CC=C(C3=NC(C4=NC5=CC(Br)=CC=C5S4)=NC(C4=NC5=C(S4)C4=C(C=C(Br)C=C4)C4=CC(Br)=CC=C45)=N3)C=C2C=C1	1.9578	2.2101	2.414	840.8007515	829.719	0.192480795	-0.232583061	299.2958839	64.45	6	3	0	0	11
994	BrC1=CC=C2C=C(C3=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=CC(Br)=C5)S4)=N3)C=CC2=C1	1.9581	2.2101	2.4097	712.9520554	698.294	0.265764317	-0.432842993	270.279036	77.59	6	3	0	0	9
995	BrC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(Br)=CC=C45)=NC(C4=NC5=C(C=CC=C5)O4)=N3)C=CC2=C1	1.9613	2.21	2.4059	712.9520554	698.294	0.265720471	-0.433541026	270.279036	77.59	6	3	0	0	9
996	ClC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=C(Cl)C=C4)C4=CC(Cl)=CC=C45)=NC(C4=NC5=C(C=CC=C5)S4)=N3)=NC2=C1	1.9531	2.2096	2.4258	681.9429405	670.954	0.192563441	-0.232624896	275.1597848	77.34	5	4	0	0	12
997	C1=CC=C(N(C2=CC=C(C3=CC=C4C=CC=CC4=C3)C=C2)C2=CC=C(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.9378	2.2095	2.4524	588.2201635	560.486	0.226864211	-0.43540916	266.160249	29.27	8	1	0	0	3
998	BrC1=CC=C2C=C(C3=CC=C(N(C4=CC=CC=C4)C4=CC=C(C5=NC6=C(C=CC=C6)S5)C=C4)C=C3)C=CC2=C1	1.9431	2.2094	2.4422	582.0765318	560.37	0.124105151	-0.310505194	239.5105015	16.13	6	1	0	0	4
999	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(Cl)C=C4)C4=CC(Cl)=CC=C45)=NC(C4=NC5=C(C=CC=C5)S4)=N3)C=CC2=C1	1.9579	2.2092	2.4106	674.9912706	660.913	0.192480795	-0.232624905	278.2997735	64.45	6	3	0	0	10
1000	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(Cl)C=C4)C4=CC(Cl)=CC=C45)=NC(C4=CC=C5C=CC=CC5=C4)=N3)SC2=C1	1.9577	2.2091	2.4109	674.9912706	660.913	0.192480795	-0.232623079	278.2997735	64.45	6	3	0	0	10
1001	IC1=CC=C(N(C2=CC=C(C3=CC=C4C=CC=CC4=C3)C=C2)C2=CC=C(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.9407	2.2091	2.4424	714.1168115	687.39	0.226864211	-0.43540916	285.4220871	29.27	8	1	0	0	4
1002	IC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(I)=CC=C45)=NC(C4=CC=C5C=CC=CC5=C4)=N3)C=CC2=C1	1.9608	2.209	2.3985	817.9498136	798.321	0.192398127	-0.231940196	289.0536398	51.56	7	2	0	0	7
1003	BrC1=CC=C2C(=C1)C1=CC(Br)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(C=CC=C4)S3)=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=N2)S1	1.9445	2.2087	2.4351	987.6741776	978.211	0.192563441	-0.232624896	310.5087575	77.34	5	4	0	0	13
1004	ClC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=CC(Cl)=CC=C34)=NC(C3=NC4=C(C=CC(Cl)=C4)S3)=N1)=N2	1.9557	2.2084	2.4207	681.9429405	670.954	0.192563441	-0.232569545	275.1597848	77.34	5	4	0	0	12
1005	ClC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=CC(Cl)=C5)S4)=N3)=NC2=C1	1.9526	2.2084	2.4292	647.9819128	635.501	0.192563441	-0.232569545	264.8565185	77.34	5	4	0	0	11
1006	ClC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=CC=C6C=C(Cl)C=CC6=C5)C=C4)C4=CC=C(C5=CC=C6C=C(Cl)C=CC6=C5)C=C4)C=C3)C=CC2=C1	1.9544	2.208	2.405	725.144383	696.894	0.046153551	-0.310504491	317.4315001	3.24	9	0	0	0	4
1007	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(O4)C4=C(C=CC=C4)C4=CC=CC=C45)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)SC2=C1	1.938	2.2078	2.4405	849.8370247	837.788	0.265765777	-0.432842986	288.2308946	90.48	5	4	0	0	12
1008	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=CC=C5C=CC=CC5=C4)=N3)C=CC2=C1	1.9677	2.2077	2.3848	584.140389	563.898	0.265762858	-0.432843001	255.9871958	64.7	7	2	0	0	6
1009	BrC1=CC=C2C=C(C3=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=C(Br)C=C5)S4)=N3)C=CC2=C1	1.9515	2.2077	2.4131	712.9520554	698.294	0.265764317	-0.432842993	270.279036	77.59	6	3	0	0	9
1010	ClC1=CC2=CC=C(C3=NC(C4=NC5=CC(Br)=CC=C5S4)=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(Br)=CC=C45)=N3)C=C2C=C1	1.9611	2.2076	2.4028	762.8902394	749.815	0.192480795	-0.232583061	285.4283363	64.45	6	3	0	0	10
1011	BrC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=CC=C(I)C=C4S3)=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC(I)=CC=C34)=N1)=N2	1.9462	2.2075	2.4294	909.7636655	898.307	0.192563441	-0.232623604	296.6412099	77.34	5	4	0	0	12
1012	C1=CC=C2OC(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)=NC2=C1	1.9498	2.2071	2.4273	564.0827011	548.527	0.26572193	-0.433541018	239.4039521	90.48	5	4	0	0	9
1013	BrC1=CC2=CC=C(C3=NC(C4=NC5=CC=C(Br)C=C5S4)=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(I)=CC=C45)=N3)C=C2C=C1	1.9494	2.2071	2.4175	854.8258597	841.266	0.192480795	-0.232623526	294.3869082	64.45	6	3	0	0	10
1014	BrC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=CC=C5)O4)=N3)=NC2=C1	1.949	2.2069	2.4302	641.9932132	628.431	0.26572193	-0.433541018	253.2714997	90.48	5	4	0	0	10
1015	BrC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(Br)=C4)=NC(C4=NC5=C(C=CC=C5)O4)=N3)=NC2=C1	1.9526	2.2067	2.4196	719.9037253	708.335	0.26572193	-0.433541018	267.1390473	90.48	5	4	0	0	11
1016	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(Br)=CC=C45)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)C=CC2=C1	1.949	2.2064	2.4172	936.7730233	923.719	0.192480795	-0.232584379	310.0844649	64.45	6	3	0	0	11
1017	ClC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=CC=C6C=CC=CC6=C5)C=C4)C4=CC=C(C5=CC=C6C=C(I)C=CC6=C5)C=C4)C=C3)C=CC2=C1	1.9521	2.2062	2.4034	783.1189757	752.892	0.046153551	-0.310504491	316.0868058	3.24	9	0	0	0	3
1018	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=CC(Br)=C5)S4)=N3)C=CC2=C1	1.9573	2.2061	2.4076	684.9797273	669.911	0.192480795	-0.232583061	271.5607887	64.45	6	3	0	0	9
1019	ClC1=CC=C2C(=C1)C1=C(C=CC(Cl)=C1)C1=C2N=C(C2=NC(C3=CC=C4C=CC=CC4=C3)=NC(C3=NC4=CC(Br)=CC=C4S3)=N2)S1	1.9601	2.2061	2.401	718.940755	705.364	0.192480795	-0.232583061	281.8640549	64.45	6	3	0	0	10
1020	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(C=CC=C5)S4)=N3)SC2=C1	1.9488	2.206	2.4208	739.9175331	726.952	0.192563441	-0.232624896	273.8150904	77.34	5	4	0	0	11
1021	BrC1=CC=C2C(=C1)C1=CC(Br)=CC=C1C1=C2N=C(C2=NC(C3=CC=C4C=CC=CC4=C3)=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=N2)S1	1.9522	2.2057	2.4098	980.7225077	968.17	0.192480795	-0.232584379	313.6487463	64.45	6	3	0	0	11
1022	BrC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=CC=C(I)C=C4S3)=NC(C3=NC4=C(S3)C3=C(C=C(I)C=C3)C3=CC(I)=CC=C34)=N1)=N2	1.9373	2.2057	2.4387	1035.660313	1025.211	0.192563441	-0.232623604	315.9030481	77.34	5	4	0	0	13
1023	BrC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=NC(C4=CC=C5C=C(I)C=CC5=C4)=N3)C=CC2=C1	1.9485	2.2054	2.4074	1021.756974	1005.129	0.192398127	-0.231940196	322.1830256	51.56	7	2	0	0	9
1024	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)SC2=C1	1.9455	2.2051	2.4225	598.0437288	583.98	0.265765777	-0.432842986	249.7072183	90.48	5	4	0	0	10
1025	ClC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=CC=C4C=CC=CC4=C3)=NC(C3=NC4=C(C=CC=C4)S3)=N2)S1	1.96	2.205	2.398	607.0692153	590.007	0.192480795	-0.232624905	257.6932411	64.45	6	3	0	0	8
1026	C1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=CC=C5C=CC=CC5=C4)=N3)C=CC2=C1	1.9672	2.2048	2.3846	566.1565177	544.513	0.192398127	-0.231940206	250.5299636	51.56	7	2	0	0	5
1027	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(Cl)=CC=C45)=NC(C4=CC=C5C=C(Cl)C=CC5=C4)=N3)C=CC2=C1	1.9595	2.2042	2.3918	668.0396006	650.872	0.192398127	-0.231940192	281.4397623	51.56	7	2	0	0	8
1028	BrC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(C=CC=C4)O3)=NC(C3=NC4=C(C=CC=C4)S3)=N2)S1	1.9513	2.2041	2.4142	641.9932132	628.431	0.26572193	-0.433541018	253.2714997	90.48	5	4	0	0	10
1029	ClC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC=CC=C45)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)=NC2=C1	1.9417	2.2039	2.4334	865.8141811	853.856	0.192563441	-0.23258437	293.0769286	77.34	5	4	0	0	12
1030	IC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(C=CC=C5)S4)=N3)SC2=C1	1.9368	2.2039	2.4332	957.7498014	945.307	0.192563441	-0.232624896	302.0355005	77.34	5	4	0	0	12
1031	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)C=CC2=C1	1.955	2.2038	2.3988	591.0920589	573.939	0.265764317	-0.432842993	252.8472071	77.59	6	3	0	0	8
1032	BrC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(I)=C4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)C=CC2=C1	1.9564	2.2038	2.3982	776.9153476	761.362	0.192480795	-0.232624905	280.5193606	64.45	6	3	0	0	9
1033	BrC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)SC2=C1	1.9378	2.2038	2.433	1035.660313	1025.211	0.192563441	-0.232623517	315.9030481	77.34	5	4	0	0	13
1034	BrC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=NC(C4=CC=C5C=CC=CC5=C4)=N3)=NC2=C1	1.9539	2.2038	2.4023	902.8119956	888.266	0.192480795	-0.232583061	299.7811987	64.45	6	3	0	0	10
1035	BrC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=CC=C4C=CC=CC4=C3)=NC(C3=CC=C4C=CC=CC4=C3)=N2)S1	1.9662	2.2036	2.3822	644.0670298	624.417	0.192398127	-0.231940196	264.3975112	51.56	7	2	0	0	6
1036	ClC1=CC=C2C(=C1)C1=C(C=CC(Cl)=C1)C1=C2N=C(C2=NC(C3=NC4=C(C=CC=C4)S3)=NC(C3=NC4=CC=C(I)C=C4S3)=N2)S1	1.9412	2.2036	2.4279	773.8785608	762.405	0.192563441	-0.232624896	284.1183567	77.34	5	4	0	0	12
1037	BrC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=CC=C4C=CC=CC4=C3)=NC(C3=NC4=C(C=CC=C4)S3)=N2)S1	1.9594	2.2033	2.3951	651.0186997	634.458	0.192480795	-0.232624905	261.2575224	64.45	6	3	0	0	8
1038	BrC1=CC2=CC=C(C3=CC=C(N(C4=CC=C(I)C=C4)C4=CC=C(C5=NC6=C(O5)C5=CC=CC=C5C5=C6C=CC=C5)C=C4)C=C3)C=C2C=C1	1.9337	2.2032	2.4386	792.0273236	767.294	0.226864211	-0.43540916	299.2896347	29.27	8	1	0	0	5
1039	ClC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=CC=C6C=C(Cl)C=CC6=C5)C=C4)C4=CC=C(C5=CC=C6C=C(I)C=CC6=C5)C=C4)C=C3)C=CC2=C1	1.9478	2.2031	2.4022	817.0800033	788.345	0.046153551	-0.310504491	326.390072	3.24	9	0	0	0	4
1040	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=CC(Br)=C5)S4)=N3)C=CC2=C1	1.9506	2.2031	2.406	669.0025709	653.843	0.265764317	-0.432842993	266.7147547	77.59	6	3	0	0	9
1041	BrC1=CC=C2SC(C3=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)=NC2=C1	1.9497	2.203	2.4118	641.9932132	628.431	0.265765777	-0.432842986	253.2714997	90.48	5	4	0	0	10
1042	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(Cl)C=C4)C4=CC(Cl)=CC=C45)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)C=CC2=C1	1.9424	2.2028	2.4188	926.7845665	914.721	0.192480795	-0.232584379	316.8234498	64.45	6	3	0	0	12
1043	BrC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC=CC=C45)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)=NC2=C1	1.9408	2.2026	2.4323	909.7636655	898.307	0.192563441	-0.23258437	296.6412099	77.34	5	4	0	0	12
1044	ClC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=CC=C(Cl)C=C4S3)=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC(Cl)=CC=C34)=N1)=N2	1.9467	2.2026	2.4198	681.9429405	670.954	0.192563441	-0.23262307	275.1597848	77.34	5	4	0	0	12
1045	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=CC=C5)O4)=N3)C=CC2=C1	1.9477	2.2026	2.4069	575.1149025	557.871	0.265765599	-0.433541019	248.0011731	90.73	6	3	0	0	8
1046	C1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)C=CC2=C1	1.9599	2.2024	2.3939	573.1081876	554.554	0.192480795	-0.232624905	247.3899748	64.45	6	3	0	0	7
1047	ClC1=CC=C2C=C(C3=NC(C4=CC=C5C=C(I)C=CC5=C4)=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC=CC=C45)=N3)C=CC2=C1	1.951	2.2024	2.4021	726.0141933	706.87	0.192398127	-0.231940206	280.0950679	51.56	7	2	0	0	7
1048	BrC1=CC=C2C=C(C3=NC(C4=CC=C5C=C(I)C=CC5=C4)=NC(C4=NC5=C(O4)C4=C(C=CC=C4)C4=CC=CC=C45)=N3)C=CC2=C1	1.9532	2.2022	2.3917	753.9865214	735.253	0.265762858	-0.432843001	278.8133153	64.7	7	2	0	0	7
1049	ClC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)=NC2=C1	1.949	2.2019	2.4175	614.0208852	600.048	0.192563441	-0.232624896	254.5532523	77.34	5	4	0	0	10
1050	BrC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=CC=C(I)C=C4S3)=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC=CC=C34)=N1)=N2	1.9408	2.2019	2.43	783.8670175	771.403	0.192563441	-0.232623604	277.3793718	77.34	5	4	0	0	11
1051	BrC1=CC=C2C=C(C3=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=CC=C5)O4)=N3)C=CC2=C1	1.9464	2.2017	2.4067	619.0643869	602.322	0.265765599	-0.433541019	251.5654544	90.73	6	3	0	0	8
1052	ClC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(Cl)=C4)=NC(C4=NC5=C(C=CC(Br)=C5)S4)=N3)=NC2=C1	1.9509	2.2015	2.4113	725.8924249	715.405	0.192563441	-0.232583051	278.7240662	77.34	5	4	0	0	12
1053	BrC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=CC=C5)O4)=N3)C=CC2=C1	1.9475	2.2012	2.4102	635.0415433	618.39	0.265720471	-0.433541026	256.4114884	77.59	6	3	0	0	8
1054	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(Br)=C4)=NC(C4=CC=C5C=CC=CC5=C4)=N3)SC2=C1	1.9569	2.2012	2.3934	684.9797273	669.911	0.192480795	-0.232623079	271.5607887	64.45	6	3	0	0	9
1055	C1=CC=C(N(C2=CC=C(C3=NC4=C(C=CC=C4)O3)C=C2)C2=CC=C(C3=NC4=C(C=CC=C4)O3)C=C2)C=C1	1.9186	2.2012	2.4651	479.1633769	458.371	0.226807953	-0.436094686	212.8108972	55.3	5	2	0	0	5
1056	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(Cl)C=C4)C4=CC(Cl)=CC=C45)=NC(C4=NC5=C(C=CC=C5)O4)=N3)C=CC2=C1	1.9517	2.2011	2.4001	659.0141142	644.845	0.265720471	-0.433541026	273.4537395	77.59	6	3	0	0	10
1057	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(Cl)=C4)=NC(C4=NC5=C(C=CC=C5)O4)=N3)SC2=C1	1.9431	2.2009	2.4204	632.0047564	619.433	0.26572193	-0.433541018	260.0104845	90.48	5	4	0	0	11
1058	ClC1=CC2=C(C=C1)SC(C1=NC(C3=CC4=CC=C(I)C=C4C=C3)=NC(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)=N1)=N2	1.9484	2.2008	2.401	716.9887068	700.843	0.265764317	-0.432842993	272.1090452	77.59	6	3	0	0	9
1059	BrC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(C=CC=C5)S4)=N3)=NC2=C1	1.9423	2.2007	2.4184	909.7636655	898.307	0.192563441	-0.232624896	296.6412099	77.34	5	4	0	0	12
1060	BrC1=CC2=C(C=C1)C1=C(SC(C3=NC(C4=CC=C5C=CC=CC5=C4)=NC(C4=CC5=CC=C(I)C=C5C=C4)=N3)=N1)C1=CC=CC=C21	1.9567	2.2007	2.387	769.9636777	751.321	0.192398127	-0.231940196	283.6593493	51.56	7	2	0	0	7
1061	ClC1=CC=C2C(=C1)C1=CC(Cl)=CC=C1C1=C2N=C(C2=NC(C3=CC=C4C=CC=CC4=C3)=NC(C3=NC4=C(C=CC=C4)S3)=N2)S1	1.9528	2.2003	2.3977	641.0302429	625.46	0.192480795	-0.232624905	267.9965073	64.45	6	3	0	0	9
1062	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(Br)=CC=C45)=NC(C4=CC=C5C=C(I)C=CC5=C4)=N3)C=CC2=C1	1.952	2.2001	2.3927	803.9247054	786.774	0.192398127	-0.231940196	293.9626155	51.56	7	2	0	0	8
1063	ClC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=C(Cl)C=C4)C4=CC(Cl)=CC=C45)=NC(C4=CC=C5C=C(I)C=CC5=C4)=N3)=NC2=C1	1.9472	2.2001	2.4046	800.8879185	787.817	0.192480795	-0.232569554	297.5616116	64.45	6	3	0	0	11
1064	BrC1=CC=C2C(=C1)C1=CC(Br)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=N2)S1	1.9294	2.2	2.4393	1239.467474	1232.019	0.192563441	-0.23258437	349.0324338	77.34	5	4	0	0	15
1065	ClC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)=NC2=C1	1.94	2.1998	2.4207	991.7108291	980.76	0.192563441	-0.23258437	312.3387667	77.34	5	4	0	0	13
1066	ClC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(C=CC=C5)S4)=N3)=NC2=C1	1.9412	2.1998	2.4181	865.8141811	853.856	0.192563441	-0.232624896	293.0769286	77.34	5	4	0	0	12
1067	BrC1=CC=C2SC(C3=NC(C4=NC5=C(O4)C4=C(C=CC=C4)C4=CC=CC=C45)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)=NC2=C1	1.9384	2.1997	2.421	893.7865091	882.239	0.265765777	-0.432842986	291.7951759	90.48	5	4	0	0	12
1068	C1=CC=C2SC(C3=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)=NC2=C1	1.9477	2.1996	2.4052	564.0827011	548.527	0.265765777	-0.432842986	239.4039521	90.48	5	4	0	0	9
1069	ClC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(Br)=C4)=NC(C4=NC5=C(C=CC=C5)O4)=N3)=NC2=C1	1.947	2.1994	2.4114	675.9542408	663.884	0.26572193	-0.433541018	263.5747659	90.48	5	4	0	0	11
1070	ClC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=CC=C(Cl)C=C4S3)=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC(I)=CC=C34)=N1)=N2	1.943	2.1993	2.4161	773.8785608	762.405	0.192563441	-0.23262307	284.1183567	77.34	5	4	0	0	12
1071	IC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)SC2=C1	1.94	2.1993	2.4222	705.9565055	691.499	0.192563441	-0.232624896	263.5118242	77.34	5	4	0	0	10
1072	ClC1=CC2=C(C=C1)C1=C(SC(C3=NC(C4=NC5=C(C=CC=C5)O4)=NC(C4=NC5=CC=C(I)C=C5S4)=N3)=N1)C1=CC=CC=C21	1.9388	2.199	2.4206	723.9403767	710.884	0.26572193	-0.433541018	268.9690564	90.48	5	4	0	0	11
1073	BrC1=CC=C2SC(C3=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=CC=C5)O4)=N3)=NC2=C1	1.9429	2.199	2.4129	626.0160568	612.363	0.265767059	-0.433541011	248.4254657	103.62	5	4	0	0	10
1074	ClC1=CC=C2C(=C1)C1=C(C=CC=C1)C1=C2N=C(C2=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=NC(C3=NC4=CC=C(I)C=C4S3)=N2)S1	1.9333	2.1989	2.4287	991.7108291	980.76	0.192563441	-0.232623604	312.3387667	77.34	5	4	0	0	13
1075	ClC1=CC=C2C(=C1)C1=CC(Cl)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=N2)S1	1.9288	2.1987	2.4366	1151.568505	1143.117	0.192563441	-0.23258437	341.903871	77.34	5	4	0	0	15
1076	ClC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(C=CC=C4)O3)=NC(C3=NC4=C(C=CC=C4)S3)=N2)S1	1.9471	2.1986	2.4077	598.0437288	583.98	0.26572193	-0.433541018	249.7072183	90.48	5	4	0	0	10
1077	BrC1=CC=C(N(C2=CC=C(C3=NC4=C(C=CC=C4)O3)C=C2)C2=CC=C(C3=NC4=C(C=CC=C4)S3)C=C2)C=C1	1.9191	2.1986	2.4592	573.0510454	554.343	0.226807953	-0.436094686	231.5244788	42.16	5	2	0	0	6
1078	BrC1=CC2=C(C=C1)N=C(C1=NC(C3=CC4=CC=C(I)C=C4C=C3)=NC(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)=N1)S2	1.9424	2.1986	2.4041	760.9381913	745.294	0.265764317	-0.432842993	275.6733266	77.59	6	3	0	0	9
1079	BrC1=CC2=CC=C(C3=NC(C4=NC5=CC=C(Br)C=C5S4)=NC(C4=CC=C5C=C(Br)C=CC5=C4)=N3)C=C2C=C1	1.9658	2.1985	2.3633	699.8567538	688.137	0.192397313	-0.232623536	246.7692773	51.56	5	2	0	0	8
1080	ClC1=CC=C2C(=C1)C1=C(C=CC=C1)C1=C2N=C(C2=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=NC(C3=CC4=CC=C(Br)C=C4C=C3)=N2)S1	1.9423	2.1984	2.4084	936.7730233	923.719	0.192480795	-0.232584379	310.0844649	64.45	6	3	0	0	11
1081	BrC1=CC=C2C(=C1)C1=C(C=CC=C1)C1=C2N=C(C2=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=NC(C3=CC4=CC=C(I)C=C4C=C3)=N2)S1	1.9431	2.1982	2.4039	1028.708644	1015.17	0.192480795	-0.232584379	319.0430368	64.45	6	3	0	0	11
1082	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=CC=C5C=CC=CC5=C4)=N3)SC2=C1	1.952	2.1979	2.3953	607.0692153	590.007	0.192480795	-0.232623079	257.6932411	64.45	6	3	0	0	8
1083	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)SC2=C1	1.9272	2.1977	2.4353	1117.607477	1107.664	0.192563441	-0.23262307	331.6006048	77.34	5	4	0	0	14
1084	ClC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=NC(C4=CC=C5C=CC=CC5=C4)=N3)=NC2=C1	1.9492	2.1976	2.3949	858.8625112	843.815	0.192480795	-0.232569554	296.2169173	64.45	6	3	0	0	10
1085	IC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=C(I)C=C5)S4)=N3)C=CC2=C1	1.9407	2.1976	2.4084	824.9014835	808.362	0.192480795	-0.232623613	285.9136511	64.45	6	3	0	0	9
1086	IC1=CC=C2C(=C1)C1=CC(I)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(C=CC=C4)S3)=NC(C3=NC4=C(C=CC=C4)S3)=N2)S1	1.9405	2.1974	2.4119	831.8531534	818.403	0.192563441	-0.232624896	282.7736623	77.34	5	4	0	0	11
1087	ClC1=CC=C2C=C(C3=NC(C4=CC=C5C=C(Cl)C=CC5=C4)=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=N3)C=CC2=C1	1.9506	2.1973	2.3926	634.078573	615.419	0.192398127	-0.231940206	271.136496	51.56	7	2	0	0	7
1088	BrC1=CC=C(N(C2=CC=C(C3=CC=C4C=C(I)C=CC4=C3)C=C2)C2=CC=C(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.9279	2.1973	2.4339	792.0273236	767.294	0.226864211	-0.43540916	299.2896347	29.27	8	1	0	0	5
1089	ClC1=CC2=C(C=C1)C1=C(SC(C3=NC(C4=CC=C5C=CC=CC5=C4)=NC(C4=NC5=CC=C(I)C=C5S4)=N3)=N1)C1=CC=CC=C21	1.9506	2.1972	2.3921	732.9658632	716.911	0.192480795	-0.232623613	276.9550792	64.45	6	3	0	0	9
1090	ClC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=CC=C(Cl)C=C4S3)=NC(C3=NC4=C(S3)C3=C(C=C(I)C=C3)C3=CC(I)=CC=C34)=N1)=N2	1.9337	2.1972	2.425	899.7752087	889.309	0.192563441	-0.23262307	303.3801948	77.34	5	4	0	0	13
1091	ClC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(I)=C4)=NC(C4=NC5=C(C=CC(Br)=C5)S4)=N3)=NC2=C1	1.9466	2.1971	2.4055	817.8280452	806.856	0.192563441	-0.232583051	287.682638	77.34	5	4	0	0	12
1092	ClC1=CC=C2C=C(C3=CC=C(N(C4=CC=CC=C4)C4=CC=C(C5=NC6=C(C=CC=C6)S5)C=C4)C=C3)C=CC2=C1	1.9353	2.1969	2.4247	538.1270474	515.919	0.124105151	-0.310505194	235.9462202	16.13	6	1	0	0	4
1093	BrC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=CC=C(I)C=C4S3)=NC(C3=NC4=C(O3)C3=C(C=CC=C3)C3=CC=CC=C34)=N1)=N2	1.9361	2.1969	2.4177	767.8898612	755.335	0.265765777	-0.432842986	272.5333378	90.48	5	4	0	0	11
1094	ClC1=CC=C2C(=C1)C1=CC(Cl)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(C=CC=C4)O3)=NC(C3=NC4=C(C=CC=C4)O3)=N2)S1	1.937	2.1968	2.4199	616.0276	603.365	0.265723212	-0.433541011	255.1644505	103.62	5	4	0	0	11
1095	ClC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=C(Cl)C=C4)C4=CC(Cl)=CC=C45)=NC(C4=NC5=C(C=CC(Cl)=C5)S4)=N3)=NC2=C1	1.943	2.1965	2.4118	715.9039681	706.407	0.192563441	-0.232569545	285.463051	77.34	5	4	0	0	13
1096	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(O4)C4=C(C=CC=C4)C4=CC=CC=C45)=NC(C4=NC5=C(C=CC(Br)=C5)S4)=N3)SC2=C1	1.9391	2.196	2.4122	675.9542408	663.884	0.265765777	-0.432842986	263.5747659	90.48	5	4	0	0	11
1097	BrC1=CC=C2C(=C1)C1=C(C=CC(Br)=C1)C1=C2N=C(C2=NC(C3=NC4=C(C=CC=C4)O3)=NC(C3=CC4=CC=C(I)C=C4C=C3)=N2)S1	1.9441	2.1951	2.3958	838.8487033	825.198	0.265720471	-0.433541026	289.5408742	77.59	6	3	0	0	10
1098	ClC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(Br)=CC=C45)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)=NC2=C1	1.9386	2.1949	2.4124	943.7246932	933.76	0.192563441	-0.23258437	306.9444762	77.34	5	4	0	0	13
1099	IC1=CC=C2C=C(C3=NC(C4=CC=C5C=C(I)C=CC5=C4)=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=N3)C=CC2=C1	1.9432	2.1949	2.3892	801.9726573	782.253	0.265762858	-0.432843001	284.2076058	64.7	7	2	0	0	7
1100	BrC1=CC=C2C=C(C3=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=CC=C5C=CC=CC5=C4)=N3)C=CC2=C1	1.9531	2.1949	2.3781	628.0898734	608.349	0.265762858	-0.432843001	259.5514772	64.7	7	2	0	0	6
1101	IC1=CC=C2N=C(C3=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)SC2=C1	1.9353	2.1949	2.4124	689.9793491	675.431	0.265765777	-0.432842986	258.6657902	90.48	5	4	0	0	10
1102	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(Br)=C4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)C=CC2=C1	1.9483	2.1948	2.3915	684.9797273	669.911	0.192480795	-0.232624905	271.5607887	64.45	6	3	0	0	9
1103	IC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(C=CC=C5)S4)=N3)SC2=C1	1.9375	2.1943	2.4097	831.8531534	818.403	0.192563441	-0.232624896	282.7736623	77.34	5	4	0	0	11
1104	BrC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(I)=C4)=NC(C4=CC=C5C=CC=CC5=C4)=N3)C=CC2=C1	1.953	2.1942	2.3777	769.9636777	751.321	0.192398127	-0.231940196	283.6593493	51.56	7	2	0	0	7
1105	IC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)SC2=C1	1.9221	2.1941	2.4337	1209.543097	1199.115	0.192563441	-0.232623604	340.5591767	77.34	5	4	0	0	14
1106	IC1=CC=C2C(=C1)C1=CC(I)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(C=CC=C4)O3)=NC(C3=NC4=C(C=CC=C4)S3)=N2)S1	1.9348	2.194	2.4128	815.8759971	802.335	0.26572193	-0.433541018	277.9276283	90.48	5	4	0	0	11
1107	ClC1=CC=C2C(=C1)C1=CC(Cl)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(C=CC=C4)O3)=NC(C3=NC4=C(C=CC=C4)S3)=N2)S1	1.9397	2.1939	2.4078	632.0047564	619.433	0.26572193	-0.433541018	260.0104845	90.48	5	4	0	0	11
1108	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(Br)=C4)=NC(C4=NC5=C(C=CC=C5)O4)=N3)C=CC2=C1	1.9458	2.1939	2.3927	669.0025709	653.843	0.265720471	-0.433541026	266.7147547	77.59	6	3	0	0	9
1109	BrC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(Br)=CC=C45)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)C=CC2=C1	1.9425	2.1937	2.3957	980.7225077	968.17	0.192480795	-0.232584379	313.6487463	64.45	6	3	0	0	11
1110	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)C=CC2=C1	1.9404	2.1937	2.4015	858.8625112	843.815	0.192480795	-0.232584379	296.2169173	64.45	6	3	0	0	10
1111	ClC1=CC=C2SC(C3=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)=NC2=C1	1.9425	2.1936	2.4006	598.0437288	583.98	0.265765777	-0.432842986	249.7072183	90.48	5	4	0	0	10
1112	IC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(C=CC=C4)S3)=NC(C3=NC4=C(C=CC=C4)S3)=N2)S1	1.9453	2.1933	2.3955	705.9565055	691.499	0.192563441	-0.232624896	263.5118242	77.34	5	4	0	0	10
1113	C1=CC=C2OC(C3=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)=NC2=C1	1.9395	2.1932	2.4029	548.1055448	532.459	0.265767059	-0.433541011	234.5579181	103.62	5	4	0	0	9
1114	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=NC(C4=CC=C5C=C(I)C=CC5=C4)=N3)C=CC2=C1	1.94	2.1928	2.3911	977.8074893	960.678	0.192398127	-0.231940196	318.6187442	51.56	7	2	0	0	9
1115	ClC1=CC=C2C(=C1)C1=C(C=CC=C1)C1=C2N=C(C2=NC(C3=CC=C4C=C(I)C=CC4=C3)=NC(C3=NC4=CC=C(I)C=C4S3)=N2)S1	1.9389	2.1928	2.3979	858.8625112	843.815	0.192480795	-0.232623613	296.2169173	64.45	6	3	0	0	10
1116	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(I)=CC=C45)=NC(C4=CC=C5C=C(Cl)C=CC5=C4)=N3)C=CC2=C1	1.9501	2.1927	2.3775	759.975221	742.323	0.192398127	-0.231940196	290.3983342	51.56	7	2	0	0	8
1117	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(I)=C4)=NC(C4=CC=C5C=CC=CC5=C4)=N3)SC2=C1	1.9491	2.1927	2.3835	732.9658632	716.911	0.192480795	-0.232623079	276.9550792	64.45	6	3	0	0	9
1118	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=NC(C4=CC=C5C=CC=CC5=C4)=N3)SC2=C1	1.9419	2.1926	2.3934	858.8625112	843.815	0.192480795	-0.232623079	296.2169173	64.45	6	3	0	0	10
1119	ClC1=CC=C(N(C2=CC=C(C3=CC=C4C=C(Cl)C=CC4=C3)C=C2)C2=CC=C(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.9272	2.1925	2.425	656.1422188	631.392	0.226864211	-0.43540916	286.7667814	29.27	8	1	0	0	5
1120	N#CC1=CC=C(N(C2=CC=C(C3=CC=C4C=CC=CC4=C3)C=C2)C2=CC=C(C3=NC4=C(C=CC=C4)S3)C=C2)C=C1	1.9388	2.1925	2.403	529.1612687	506.484	0.124105151	-0.310503708	236.4004757	39.92	6	1	0	0	4
1121	C1=CC=C2C=C(C3=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)C=CC2=C1	1.9521	2.1923	2.3769	557.1310312	538.486	0.265764317	-0.432842993	242.5439408	77.59	6	3	0	0	7
1122	BrC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(C=CC=C5)O4)=N3)=NC2=C1	1.933	2.1921	2.4128	893.7865091	882.239	0.26572193	-0.433541018	291.7951759	90.48	5	4	0	0	12
1123	ClC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=CC=C(I)C=C4S3)=NC(C3=NC4=C(S3)C3=C(C=CC=C3)C3=CC(I)=CC=C34)=N1)=N2	1.9348	2.1921	2.4101	865.8141811	853.856	0.192563441	-0.232623604	293.0769286	77.34	5	4	0	0	12
1124	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(Br)=C4)=NC(C4=NC5=C(C=CC=C5)O4)=N3)SC2=C1	1.9375	2.192	2.4073	675.9542408	663.884	0.26572193	-0.433541018	263.5747659	90.48	5	4	0	0	11
1125	BrC1=CC=C2C(=C1)C1=CC(Br)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(C=CC=C4)O3)=NC(C3=NC4=C(C=CC=C4)O3)=N2)S1	1.9333	2.192	2.4144	703.9265689	692.267	0.265723212	-0.433541011	262.2930133	103.62	5	4	0	0	11
1126	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=CC=C5)O4)=N3)SC2=C1	1.9329	2.1918	2.4104	582.0665724	567.912	0.265767059	-0.433541011	244.8611843	103.62	5	4	0	0	10
1127	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(Cl)=CC=C45)=NC(C4=CC=C5C=C(I)C=CC5=C4)=N3)SC2=C1	1.9411	2.1913	2.3925	766.9268909	752.364	0.192480795	-0.232623079	287.2583454	64.45	6	3	0	0	10
1128	IC1=CC2=C(C=C1I)SC(C1=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)=NC(C3=CC=C4C=CC=CC4=C3)=N1)=N2	1.9409	2.1912	2.3962	824.9014835	808.362	0.192480795	-0.232584379	285.9136511	64.45	6	3	0	0	9
1129	ClC1=CC=C(N(C2=CC=C(C3=CC=C4C=CC=CC4=C3)C=C2)C2=CC=C(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.9282	2.1912	2.421	622.1811912	595.939	0.226864211	-0.43540916	276.4635152	29.27	8	1	0	0	4
1130	IC1=CC=C(N(C2=CC=C(C3=CC=C4C=C(I)C=CC4=C3)C=C2)C2=CC=C(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.9237	2.191	2.4234	840.0134595	814.294	0.226864211	-0.43540916	304.6839252	29.27	8	1	0	0	5
1131	IC1=CC=C2N=C(C3=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=CC=C5C=CC=CC5=C4)=N3)SC2=C1	1.9431	2.1908	2.3849	683.0276792	665.39	0.265764317	-0.432842993	261.805779	77.59	6	3	0	0	8
1132	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=CC=C5C=CC=CC5=C4)=N3)SC2=C1	1.9461	2.1908	2.3821	591.0920589	573.939	0.265764317	-0.432842993	252.8472071	77.59	6	3	0	0	8
1133	IC1=CC=C2C(=C1)C1=CC(I)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(C=CC=C4)O3)=NC(C3=NC4=C(C=CC=C4)O3)=N2)S1	1.9277	2.1903	2.4161	799.8988407	786.267	0.265723212	-0.433541011	273.0815943	103.62	5	4	0	0	11
1134	ClC1=CC2=CC=C(C3=NC(C4=NC5=CC(Cl)=CC=C5S4)=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(I)=CC=C45)=N3)C=C2C=C1	1.9423	2.1899	2.3888	766.9268909	752.364	0.192480795	-0.232569554	287.2583454	64.45	6	3	0	0	10
1135	ClC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=CC=C6C=CC=CC6=C5)C=C4)C4=CC=C(C5=CC=C6C=CC=CC6=C5)C=C4)C=C3)C=CC2=C1	1.9484	2.1898	2.3728	657.2223277	625.988	0.046153551	-0.310504491	296.8249676	3.24	9	0	0	0	2
1136	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(Br)=C4)=NC(C4=CC=C5C=CC=CC5=C4)=N3)C=CC2=C1	1.9519	2.1897	2.3707	678.0280574	659.87	0.192398127	-0.231940196	274.7007774	51.56	7	2	0	0	7
1137	IC1=CC2=C(C=C1I)SC(C1=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)=NC(C3=NC4=C(C=CC=C4)S3)=N1)=N2	1.9324	2.1896	2.4119	831.8531534	818.403	0.192563441	-0.232624896	282.7736623	77.34	5	4	0	0	11
1138	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)C=CC2=C1	1.9358	2.1895	2.3957	984.7591592	970.719	0.192480795	-0.232584379	315.4787554	64.45	6	3	0	0	11
1139	IC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(C=CC=C5)O4)=N3)C=CC2=C1	1.9306	2.1893	2.4011	934.8209751	919.198	0.265720471	-0.433541026	300.3294552	77.59	6	3	0	0	10
1140	ClC1=CC2=C(C=C1)N=C(C1=NC(C3=CC4=CC=C(I)C=C4C=C3)=NC(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)=N1)S2	1.9361	2.1893	2.3918	716.9887068	700.843	0.265764317	-0.432842993	272.1090452	77.59	6	3	0	0	9
1141	IC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=NC(C4=CC=C5C=C(I)C=CC5=C4)=N3)C=CC2=C1	1.933	2.1893	2.3926	1069.74311	1052.129	0.192398127	-0.231940196	327.5773161	51.56	7	2	0	0	9
1142	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=CC=C5C=CC=CC5=C4)=N3)C=CC2=C1	1.9547	2.1891	2.3656	600.1175454	579.966	0.192398127	-0.231940206	260.8332298	51.56	7	2	0	0	6
1143	ClC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=CC=C6C=CC=CC6=C5)C=C4)C4=CC=C(C5=CC=C6C=C(Cl)C=CC6=C5)C=C4)C=C3)C=CC2=C1	1.9453	2.189	2.3749	691.1833554	661.441	0.046153551	-0.310504491	307.1282339	3.24	9	0	0	0	3
1144	C1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=CC=C5)O4)=N3)C=CC2=C1	1.9443	2.1888	2.3861	557.1310312	538.486	0.265720471	-0.433541026	242.5439408	77.59	6	3	0	0	7
1145	BrC1=CC2=C(C=C1)C1=C(SC(C3=NC(C4=CC=C5C=CC=CC5=C4)=NC(C4=NC5=CC=C(I)C=C5S4)=N3)=N1)C1=CC=CC=C21	1.945	2.1887	2.3803	776.9153476	761.362	0.192480795	-0.232623613	280.5193606	64.45	6	3	0	0	9
1146	ClC1=CC=C2C(=C1)C1=C(C=CC=C1)C1=C2N=C(C2=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=NC(C3=CC4=CC=C(I)C=C4C=C3)=N2)S1	1.9357	2.1884	2.3922	984.7591592	970.719	0.192480795	-0.232584379	315.4787554	64.45	6	3	0	0	11
1147	ClC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=C(Cl)C=C4)C4=CC(Cl)=CC=C45)=NC(C4=NC5=C(C=CC=C5)O4)=N3)=NC2=C1	1.9348	2.1884	2.404	665.9657841	654.886	0.26572193	-0.433541018	270.3137508	90.48	5	4	0	0	12
1148	ClC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(Cl)=CC=C45)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)=NC2=C1	1.9333	2.1883	2.4055	899.7752087	889.309	0.192563441	-0.23258437	303.3801948	77.34	5	4	0	0	13
1149	ClC1=CC2=C(C=C1)SC(C1=NC(C3=CC4=CC=C(I)C=C4C=C3)=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)=N1)=N2	1.941	2.1882	2.3886	732.9658632	716.911	0.192480795	-0.232569554	276.9550792	64.45	6	3	0	0	9
1150	IC1=CC=C(N(C2=CC=C(C3=NC4=C(C=CC=C4)O3)C=C2)C2=CC=C(C3=NC4=C(C=CC=C4)S3)C=C2)C=C1	1.9103	2.1882	2.4457	621.0371813	601.343	0.226807953	-0.436094686	236.9187693	42.16	5	2	0	0	6
1151	ClC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(C=CC=C5)O4)=N3)=NC2=C1	1.9295	2.1879	2.4083	849.8370247	837.788	0.26572193	-0.433541018	288.2308946	90.48	5	4	0	0	12
1152	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(C=C(Br)C=C5)S4)=NC(C4=NC5=C(C=C(Br)C=C5)S4)=N3)SC2=C1	1.9462	2.1878	2.3735	669.8106092	663.768	0.192562629	-0.232623517	236.9250185	77.34	3	4	0	0	12
1153	IC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=CC=C4C=CC=CC4=C3)=NC(C3=NC4=C(C=CC=C4)S3)=N2)S1	1.9464	2.1877	2.3761	699.0048356	681.458	0.192480795	-0.232624905	266.651813	64.45	6	3	0	0	8
1154	ClC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(C=CC=C4)S3)=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=N2)S1	1.934	2.1875	2.4001	865.8141811	853.856	0.192563441	-0.232624896	293.0769286	77.34	5	4	0	0	12
1155	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(Cl)=CC=C45)=NC(C4=NC5=C(C=CC=C5)O4)=N3)C=CC2=C1	1.9455	2.1869	2.3761	625.0530865	609.392	0.265720471	-0.433541026	263.1504733	77.59	6	3	0	0	9
1156	IC1=CC2=C(C=C1I)SC(C1=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=N1)=N2	1.922	2.1866	2.4217	1083.646449	1072.211	0.192563441	-0.23258437	321.2973386	77.34	5	4	0	0	13
1157	IC1=CC=C2C(=C1)C1=CC(I)=CC=C1C1=C2N=C(C2=NC(C3=CC=C4C=CC=CC4=C3)=NC(C3=NC4=C(C=CC=C4)S3)=N2)S1	1.9382	2.1864	2.3844	824.9014835	808.362	0.192480795	-0.232624905	285.9136511	64.45	6	3	0	0	9
1158	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=CC=C5)O4)=N3)C=CC2=C1	1.9375	2.1863	2.3907	591.0920589	573.939	0.265720471	-0.433541026	252.8472071	77.59	6	3	0	0	8
1159	C1=CC=C2OC(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=CC=C5)O4)=N3)=NC2=C1	1.9299	2.1858	2.409	548.1055448	532.459	0.265723212	-0.433541011	234.5579181	103.62	5	4	0	0	9
1160	IC1=CC2=C(C=C1I)SC(C1=NC(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)=NC(C3=NC4=C(C=CC=C4)S3)=N1)=N2	1.9287	2.1858	2.4011	815.8759971	802.335	0.265765777	-0.432842986	277.9276283	90.48	5	4	0	0	11
1161	BrC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=NC(C4=CC=C5C=C(I)C=CC5=C4)=N3)=NC2=C1	1.9336	2.1857	2.3893	1028.708644	1015.17	0.192480795	-0.232583061	319.0430368	64.45	6	3	0	0	11
1162	ClC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=C(Cl)C=C4)C4=CC(Cl)=CC=C45)=NC(C4=CC=C5C=CC=CC5=C4)=N3)=NC2=C1	1.9452	2.1853	2.3747	674.9912706	660.913	0.192480795	-0.232569554	278.2997735	64.45	6	3	0	0	10
1163	ClC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(Br)=C4)=NC(C4=CC=C5C=CC=CC5=C4)=N3)=NC2=C1	1.9495	2.1849	2.3674	684.9797273	669.911	0.192480795	-0.232569554	271.5607887	64.45	6	3	0	0	9
1164	ClC1=CC=C2C(=C1)C1=C(C=CC(Cl)=C1)C1=C2N=C(C2=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=NC(C3=NC4=CC(Br)=CC=C4S3)=N2)S1	1.9277	2.1845	2.4049	977.6857208	969.213	0.192563441	-0.23258437	317.2477424	77.34	5	4	0	0	14
1165	ClC1=CC=C(N(C2=CC=C(C3=NC4=C(C=CC=C4)O3)C=C2)C2=CC=C(C3=NC4=C(C=CC=C4)O3)C=C2)C=C1	1.9123	2.1844	2.43	513.1244046	493.824	0.226807953	-0.436094686	223.1141634	55.3	5	2	0	0	6
1166	ClC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(I)=CC=C45)=NC(C4=CC=C5C=C(I)C=CC5=C4)=N3)=NC2=C1	1.9351	2.1843	2.3848	858.8625112	843.815	0.192480795	-0.232569554	296.2169173	64.45	6	3	0	0	10
1167	BrC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)=NC2=C1	1.93	2.1842	2.3983	1035.660313	1025.211	0.192563441	-0.23258437	315.9030481	77.34	5	4	0	0	13
1168	BrC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(I)=C4)=NC(C4=NC5=C(C=CC=C5)O4)=N3)=NC2=C1	1.935	2.1841	2.3911	767.8898612	755.335	0.26572193	-0.433541018	272.5333378	90.48	5	4	0	0	11
1169	IC1=CC=C2C(=C1)C1=CC(I)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(C=CC=C4)S3)=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=N2)S1	1.9236	2.184	2.4062	1083.646449	1072.211	0.192563441	-0.232624896	321.2973386	77.34	5	4	0	0	13
1170	BrC1=CC=C(N(C2=CC=C(C3=CC=C4C=C(Br)C=CC4=C3)C=C2)C2=CC=C(C3=NC4=C(C=CC=C4)S3)C=C2)C=C1	1.9311	2.1836	2.3962	659.9870439	640.274	0.124105151	-0.310503871	253.3780491	16.13	6	1	0	0	5
1171	ClC1=CC2=C(C=C1)C1=C(SC(C3=NC(C4=CC=C5C=CC=CC5=C4)=NC(C4=NC5=CC(Br)=CC=C5S4)=N3)=N1)C1=CC=CC=C21	1.9485	2.1836	2.3659	684.9797273	669.911	0.192480795	-0.232583061	271.5607887	64.45	6	3	0	0	9
1172	BrC1=CC=C2C(=C1)C1=C(C=CC=C1)C1=C2N=C(C2=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=NC(C3=NC4=CC=C(I)C=C4S3)=N2)S1	1.923	2.1832	2.4073	1035.660313	1025.211	0.192563441	-0.232623604	315.9030481	77.34	5	4	0	0	13
1173	IC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=N2)S1	1.9211	2.1831	2.4088	1209.543097	1199.115	0.192563441	-0.23258437	340.5591767	77.34	5	4	0	0	14
1174	ClC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(Cl)=CC=C45)=NC(C4=CC=C5C=C(I)C=CC5=C4)=N3)=NC2=C1	1.939	2.1829	2.3769	766.9268909	752.364	0.192480795	-0.232569554	287.2583454	64.45	6	3	0	0	10
1175	BrC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=CC=C4C=CC=CC4=C3)=NC(C3=NC4=C(C=CC=C4)O3)=N2)S1	1.9478	2.1829	2.3637	635.0415433	618.39	0.265720471	-0.433541026	256.4114884	77.59	6	3	0	0	8
1176	ClC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(Cl)=C4)=NC(C4=CC=C5C=CC=CC5=C4)=N3)=NC2=C1	1.9472	2.1824	2.3652	641.0302429	625.46	0.192480795	-0.232569554	267.9965073	64.45	6	3	0	0	9
1177	C1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=CC=C6C=CC=CC6=C5)C=C4)C4=CC=C(C5=CC=C6C=CC=CC6=C5)C=C4)C=C3)C=CC2=C1	1.9452	2.1822	2.3604	623.2613001	590.535	0.046153551	-0.310504491	286.5217014	3.24	9	0	0	0	1
1178	ClC1=CC=C2SC(C3=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=CC=C5)O4)=N3)=NC2=C1	1.9302	2.1817	2.3915	582.0665724	567.912	0.265767059	-0.433541011	244.8611843	103.62	5	4	0	0	10
1179	ClC1=CC2=C(C=C1)N=C(C1=NC(C3=NC4=C(C=C(Br)C=C4)S3)=NC(C3=NC4=CC(Br)=CC=C4S3)=N1)S2	1.9494	2.1817	2.3557	669.8106092	663.768	0.192562629	-0.232623517	236.9250185	77.34	3	4	0	0	12
1180	ClC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)=NC2=C1	1.9201	2.1816	2.4085	1117.607477	1107.664	0.192563441	-0.23258437	331.6006048	77.34	5	4	0	0	14
1181	BrC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)=NC2=C1	1.9208	2.1814	2.4064	1161.556961	1152.115	0.192563441	-0.23258437	335.1648862	77.34	5	4	0	0	14
1182	ClC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=CC(I)=CC=C34)=NC(C3=NC4=C(C=CC(Cl)=C4)S3)=N1)=N2	1.9351	2.1811	2.3852	773.8785608	762.405	0.192563441	-0.232569545	284.1183567	77.34	5	4	0	0	12
1183	IC1=CC2=C(C=C1I)SC(C1=NC(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)=NC(C3=NC4=C(C=CC=C4)O3)=N1)=N2	1.923	2.1807	2.4057	815.8759971	802.335	0.26572193	-0.433541018	277.9276283	90.48	5	4	0	0	11
1184	ClC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=N2)S1	1.9203	2.1804	2.4055	1117.607477	1107.664	0.192563441	-0.23258437	331.6006048	77.34	5	4	0	0	14
1185	BrC1=CC=C2C=C(C3=NC(C4=NC5=C(C=C(Br)C=C5)S4)=NC(C4=NC5=C(C=C(Br)C=C5)S4)=N3)C=CC2=C1	1.9484	2.1804	2.3503	706.8084237	698.178	0.192479981	-0.232623526	243.6292886	64.45	4	3	0	0	10
1186	IC1=CC=C2C=C(C3=CC=C(N(C4=CC=CC=C4)C4=CC=C(C5=NC6=C(C=CC=C6)S5)C=C4)C=C3)C=CC2=C1	1.9222	2.1804	2.4032	630.0626677	607.37	0.124105151	-0.310505194	244.904792	16.13	6	1	0	0	4
1187	BrC1=CC=C(N(C2=CC=C(C3=NC4=C(C=CC=C4)O3)C=C2)C2=CC=C(C3=NC4=C(C=CC=C4)O3)C=C2)C=C1	1.9102	2.1802	2.4229	557.073889	538.275	0.226807953	-0.436094686	226.6784448	55.3	5	2	0	0	6
1188	ClC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=CC=C(I)C=C4C4=C5C=CC(I)=C4)=NC(C4=NC5=C(C=CC(Br)=C5)S4)=N3)=NC2=C1	1.9268	2.1799	2.3946	943.7246932	933.76	0.192563441	-0.232583051	306.9444762	77.34	5	4	0	0	13
1189	N#CC1=CC=C(N(C2=CC=C(C3=CC=C4C=C(Cl)C=CC4=C3)C=C2)C2=CC=C(C3=NC4=C(C=CC=C4)S3)C=C2)C=C1	1.9289	2.1797	2.3864	563.1222964	541.937	0.124105151	-0.310503708	246.703742	39.92	6	1	0	0	5
1190	IC1=CC=C2N=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(I)=C4)=NC(C4=CC=C5C=CC=CC5=C4)=N3)SC2=C1	1.9368	2.1793	2.3691	824.9014835	808.362	0.192480795	-0.232623613	285.9136511	64.45	6	3	0	0	9
1191	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(I)=CC=C45)=NC(C4=CC=C5C=C(I)C=CC5=C4)=N3)C=CC2=C1	1.9375	2.1791	2.3629	851.9108413	833.774	0.192398127	-0.231940196	299.3569061	51.56	7	2	0	0	8
1192	IC1=CC=C2C=C(C3=CC=C(N(C4=CC=C(C5=CC=C6C=CC=CC6=C5)C=C4)C4=CC=C(C5=CC=C6C=CC=CC6=C5)C=C4)C=C3)C=CC2=C1	1.9374	2.179	2.3627	749.157948	717.439	0.046153551	-0.310504491	305.7835395	3.24	9	0	0	0	2
1193	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=C(I)C=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)C=CC2=C1	1.9216	2.179	2.3926	1110.655807	1097.623	0.192480795	-0.232584379	334.7405936	64.45	6	3	0	0	12
1194	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)C=CC2=C1	1.9295	2.179	2.3777	842.8853548	827.747	0.265764317	-0.432842993	291.3708833	77.59	6	3	0	0	10
1195	IC1=CC=C2N=C(C3=NC(C4=NC5=C(O4)C4=C(C=CC=C4)C4=CC=CC=C45)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)SC2=C1	1.9159	2.1789	2.4044	941.772645	929.239	0.265765777	-0.432842986	297.1894665	90.48	5	4	0	0	12
1196	N#CC1=CC=C(N(C2=CC=C(C3=NC4=C(C=CC=C4)O3)C=C2)C2=CC=C(C3=NC4=C(C=CC=C4)O3)C=C2)C=C1	1.9096	2.1784	2.4139	504.1586259	484.389	0.226807953	-0.436094686	223.568419	79.09	5	2	0	0	6
1197	BrC1=CC=C(N(C2=CC=CC=C2)C2=CC=C(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.9206	2.178	2.4193	556.0608818	536.348	0.124153376	-0.310504597	227.1350719	16.13	6	1	0	0	4
1198	N#CC1=CC=C(N(C2=CC=C(Cl)C=C2)C2=CC=C(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.9191	2.178	2.4165	537.1066463	517.915	0.124153376	-0.310502682	234.3283123	39.92	6	1	0	0	5
1199	BrC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=N2)S1	1.9191	2.1779	2.4009	1161.556961	1152.115	0.192563441	-0.23258437	335.1648862	77.34	5	4	0	0	14
1200	IC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(C=CC=C4)O3)=NC(C3=NC4=C(C=CC=C4)S3)=N2)S1	1.9311	2.1778	2.3807	689.9793491	675.431	0.26572193	-0.433541018	258.6657902	90.48	5	4	0	0	10
1201	IC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(I)=CC=C45)=NC(C4=NC5=C(C=CC=C5)O4)=N3)C=CC2=C1	1.9293	2.1777	2.376	808.9243272	792.294	0.265720471	-0.433541026	281.0676171	77.59	6	3	0	0	9
1202	ClC1=CC2=C(C=C1)N=C(C1=NC(C3=NC4=C(C=CC(Br)=C4)S3)=NC(C3=CC4=CC=C(Br)C=C4C=C3)=N1)S2	1.9527	2.1768	2.3367	662.8589393	653.727	0.192479983	-0.232623079	240.0650072	64.45	4	3	0	0	10
1203	IC1=CC=C2C=C(C3=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=C(I)C=C5)S4)=N3)C=CC2=C1	1.9248	2.1768	2.3781	808.9243272	792.294	0.265764317	-0.432842993	281.0676171	77.59	6	3	0	0	9
1204	IC1=CC=C2C=C(C3=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)C=CC2=C1	1.9242	2.1762	2.3778	934.8209751	919.198	0.265764317	-0.432842993	300.3294552	77.59	6	3	0	0	10
1205	N#CC1=CC=C(N(C2=CC=C(C3=CC=C4C=C(Br)C=CC4=C3)C=C2)C2=CC=C(C3=NC4=C(C=CC=C4)S3)C=C2)C=C1	1.9267	2.1757	2.3803	607.0717808	586.388	0.124105151	-0.310503708	250.2680233	39.92	6	1	0	0	5
1206	IC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=CC=C4C=CC=CC4=C3)=NC(C3=NC4=C(C=CC=C4)O3)=N2)S1	1.9405	2.1753	2.3551	683.0276792	665.39	0.265720471	-0.433541026	261.805779	77.59	6	3	0	0	8
1207	N#CC1=CC=C(N(C2=CC=C(C3=CC=C4C=C(I)C=CC4=C3)C=C2)C2=CC=C(C3=NC4=C(C=CC=C4)S3)C=C2)C=C1	1.9239	2.1752	2.3817	655.0579167	633.388	0.124105151	-0.310503708	255.6623138	39.92	6	1	0	0	5
1208	ClC1=CC=C2C(=C1)C1=CC(Cl)=CC=C1C1=C2N=C(C2=NC(C3=CC=C4C=CC=CC4=C3)=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=N2)S1	1.9308	2.175	2.3695	892.8235388	879.268	0.192480795	-0.232584379	306.5201835	64.45	6	3	0	0	11
1209	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(C=C(Cl)C=C5)S4)=NC(C4=NC5=C(C=C(Br)C=C5)S4)=N3)C=CC2=C1	1.9459	2.1748	2.3411	618.9094548	609.276	0.192479983	-0.232623526	236.5007258	64.45	4	3	0	0	10
1210	IC1=CC=C2C=C(C3=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)C=CC2=C1	1.9307	2.1742	2.3645	683.0276792	665.39	0.265764317	-0.432842993	261.805779	77.59	6	3	0	0	8
1211	IC1=CC=C2C(=C1)C1=CC(I)=CC=C1C1=C2N=C(C2=NC(C3=CC=C4C=CC=CC4=C3)=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=N2)S1	1.9258	2.1734	2.3713	1076.694779	1062.17	0.192480795	-0.232584379	324.4373273	64.45	6	3	0	0	11
1212	BrC1=CC=C2N=C(C3=NC(C4=NC5=C(C=C(Br)C=C5)S4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)SC2=C1	1.9417	2.1729	2.3465	635.8495815	628.315	0.192562627	-0.232624896	226.6217522	77.34	3	4	0	0	11
1213	IC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=CC=C5C=CC=CC5=C4)=N3)C=CC2=C1	1.9398	2.1728	2.3481	692.0531657	671.417	0.192398127	-0.231940206	269.7918017	51.56	7	2	0	0	6
1214	IC1=CC=C2C(=C1)C1=CC(I)=CC=C1C1=C2N=C(C2=NC(C3=NC4=C(C=CC=C4)O3)=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=N2)S1	1.9121	2.1722	2.3961	1067.669293	1056.143	0.26572193	-0.433541018	316.4513046	90.48	5	4	0	0	13
1215	BrC1=CC=C2C=C(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(I)=C4)=NC(C4=NC5=C(C=CC=C5)O4)=N3)C=CC2=C1	1.9329	2.172	2.3581	760.9381913	745.294	0.265720471	-0.433541026	275.6733266	77.59	6	3	0	0	9
1216	IC1=CC=C2N=C(C3=NC(C4=NC5=C(C=C(I)C=C5)S4)=NC(C4=NC5=C(C=C(I)C=C5)S4)=N3)SC2=C1	1.9253	2.172	2.3633	857.7185013	849.219	0.192562627	-0.232623604	256.6721714	77.34	3	4	0	0	12
1217	BrC1=CC=C2N=C(C3=NC(C4=NC5=C(C=C(Br)C=C5)S4)=NC(C4=NC5=C(C=C(I)C=C5)S4)=N3)SC2=C1	1.931	2.1717	2.3575	761.7462295	755.219	0.192562627	-0.232623604	245.8835904	77.34	3	4	0	0	12
1218	IC1=CC=C2C=C(C3=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=CC=C5)O4)=N3)C=CC2=C1	1.9224	2.1715	2.3706	667.0505228	649.322	0.265765599	-0.433541019	256.959745	90.73	6	3	0	0	8
1219	ClC1=CC=C(N(C2=CC=C(C3=CC=C4C=C(Br)C=CC4=C3)C=C2)C2=CC=C(C3=NC4=C(C=CC=C4)S3)C=C2)C=C1	1.9219	2.1715	2.3816	616.0375595	595.823	0.124105151	-0.310503442	249.8137678	16.13	6	1	0	0	5
1220	IC1=CC=C2C(=C1)C1=CC(I)=CC=C1C1=C2N=C(C2=NC(C3=CC=C4C=CC=CC4=C3)=NC(C3=CC=C4C=CC=CC4=C3)=N2)S1	1.9341	2.1713	2.3521	817.9498136	798.321	0.192398127	-0.231940196	289.0536398	51.56	7	2	0	0	7
1221	ClC1=CC=C2C(=C1)C1=CC=CC=C1C1=C2N=C(C2=NC(C3=CC=C4C=CC=CC4=C3)=NC(C3=NC4=C(C=CC=C4)O3)=N2)S1	1.939	2.1713	2.35	591.0920589	573.939	0.265720471	-0.433541026	252.8472071	77.59	6	3	0	0	8
1222	ClC1=CC=C(N(C2=CC=C(C3=CC=C4C=C(Cl)C=CC4=C3)C=C2)C2=CC=C(C3=NC4=C(C=CC=C4)S3)C=C2)C=C1	1.9211	2.1705	2.3807	572.0880751	551.372	0.124105151	-0.310503442	246.2494864	16.13	6	1	0	0	5
1223	C1=CC=C2OC(C3=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=CC=C5)O4)=N3)=NC2=C1	1.9183	2.1701	2.3812	532.1283884	516.391	0.26576834	-0.433541004	229.7118841	116.76	5	4	0	0	9
1224	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(C=C(Br)C=C5)S4)=NC(C4=NC5=C(C=C(Br)C=C5)S4)=N3)C=CC2=C1	1.9417	2.17	2.3365	662.8589393	653.727	0.192479981	-0.232623526	240.0650072	64.45	4	3	0	0	10
1225	IC1=CC=C(N(C2=CC=C(C3=NC4=C(C=CC=C4)O3)C=C2)C2=CC=C(C3=NC4=C(C=CC=C4)O3)C=C2)C=C1	1.9012	2.1694	2.4089	605.0600249	585.275	0.226807953	-0.436094686	232.0727353	55.3	5	2	0	0	6
1226	ClC1=CC=C(N(C2=CC=C(Br)C=C2)C2=CC=C(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.9188	2.1692	2.3967	590.0219094	571.801	0.124153376	-0.310502845	237.4383381	16.13	6	1	0	0	5
1227	BrC1=CC=C2C=C(C3=NC(C4=CC=C5C=C(Br)C=CC5=C4)=NC(C4=CC=C5C=C(Br)C=CC5=C4)=N3)C=CC2=C1	1.9504	2.1689	2.3168	692.9050839	678.096	0.163616487	-0.208166599	249.9092661	38.67	6	1	0	0	6
1228	ClC1=CC2=CC=C(C3=CC=C(N(C4=CC=C(Br)C=C4)C4=CC=C(C5=NC6=C(C=CC=C6)S5)C=C4)C=C3)C=C2C=C1	1.9207	2.1688	2.3773	616.0375595	595.823	0.124105151	-0.310503871	249.8137678	16.13	6	1	0	0	5
1229	ClC1=CC=C2N=C(C3=NC(C4=CC=C5C=C(Br)C=CC5=C4)=NC(C4=CC=C5C=C(Br)C=CC5=C4)=N3)SC2=C1	1.9447	2.1677	2.3242	655.9072694	643.686	0.192397315	-0.232623089	243.204996	51.56	5	2	0	0	8
1230	BrC1=CC=C(N(C2=CC=C(C3=CC=C4C=C(I)C=CC4=C3)C=C2)C2=CC=C(C3=NC4=C(C=CC=C4)S3)C=C2)C=C1	1.9177	2.1674	2.3763	707.9731798	687.274	0.124105151	-0.310503871	258.7723397	16.13	6	1	0	0	5
1231	BrC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=C(C=CC=C4)C4=CC(I)=CC=C45)=NC(C4=CC=C5C=C(I)C=CC5=C4)=N3)=NC2=C1	1.9275	2.1674	2.3562	902.8119956	888.266	0.192480795	-0.232583061	299.7811987	64.45	6	3	0	0	10
1232	IC1=CC2=C(C=C1I)SC(C1=NC(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)=NC(C3=NC4=C(C=CC=C4)O3)=N1)=N2	1.9129	2.1669	2.3808	799.8988407	786.267	0.265767059	-0.433541011	273.0815943	103.62	5	4	0	0	11
1233	ClC1=CC=C2SC(C3=NC(C4=NC5=C(C=C(Br)C=C5)S4)=NC(C4=NC5=C(C=C(I)C=C5)S4)=N3)=NC2=C1	1.934	2.166	2.3403	717.7967451	710.768	0.19256263	-0.232623604	242.319309	77.34	3	4	0	0	12
1234	IC1=CC=C2N=C(C3=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=CC=C5)O4)=N3)SC2=C1	1.9121	2.1653	2.378	674.0021927	659.363	0.265767059	-0.433541011	253.8197562	103.62	5	4	0	0	10
1235	BrC1=CC2=C(C=C1)N=C(C1=NC(C3=CC4=CC=C(I)C=C4C=C3)=NC(C3=NC4=C(C=C(Br)C=C4)S3)=N1)S2	1.9337	2.1644	2.3331	754.7945596	745.178	0.192479981	-0.232623526	249.0235791	64.45	4	3	0	0	10
1236	BrC1=CC=C(N(C2=CC=C(I)C=C2)C2=CC=C(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.91	2.1638	2.3985	681.9575297	663.252	0.124153376	-0.310503357	246.39691	16.13	6	1	0	0	5
1237	C1=CC=C2C=C(C3=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=NC5=C(C=CC=C5)O4)=N3)C=CC2=C1	1.9293	2.1633	2.3429	541.1538748	522.418	0.265765599	-0.433541019	237.6979068	90.73	6	3	0	0	7
1238	BrC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=CC=C(Br)C=C4S3)=NC(C3=NC4=C(C=C(Br)C=C4)S3)=N1)=N2	1.9348	2.1627	2.3333	713.7600936	708.219	0.192562628	-0.232623517	240.4892998	77.34	3	4	0	0	12
1239	BrC1=CC2=CC=C(C3=CC=C(N(C4=CC=C(I)C=C4)C4=CC=C(C5=NC6=C(C=CC=C6)S5)C=C4)C=C3)C=C2C=C1	1.9126	2.1622	2.3725	707.9731798	687.274	0.124105151	-0.310503954	258.7723397	16.13	6	1	0	0	5
1240	BrC1=CC=C2SC(C3=NC(C4=NC5=C(S4)C4=CC=CC=C4C4=C5C=CC(I)=C4)=NC(C4=CC=C5C=CC=CC5=C4)=N3)=NC2=C1	1.9319	2.1622	2.3392	776.9153476	761.362	0.192480795	-0.232583061	280.5193606	64.45	6	3	0	0	9
1241	ClC1=CC2=CC=C(C3=NC(C4=NC5=CC=C(Br)C=C5S4)=NC(C4=CC=C5C=C(Cl)C=CC5=C4)=N3)C=C2C=C1	1.9415	2.162	2.316	611.9577849	599.235	0.192397313	-0.232623536	239.6407146	51.56	5	2	0	0	8
1242	ClC1=CC2=CC=C(C3=CC=C(N(C4=CC=C(I)C=C4)C4=CC=C(C5=NC6=C(C=CC=C6)S5)C=C4)C=C3)C=C2C=C1	1.9129	2.162	2.3716	664.0236954	642.823	0.124105151	-0.310503954	255.2080583	16.13	6	1	0	0	5
1243	C1=CC=C2C=C(C3=NC(C4=NC5=C(O4)C4=CC=CC=C4C4=C5C=CC=C4)=NC(C4=CC=C5C=CC=CC5=C4)=N3)C=CC2=C1	1.9369	2.1618	2.3258	550.1793613	528.445	0.265762858	-0.432843001	245.6839296	64.7	7	2	0	0	5
1244	ClC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=C(C=CC=C4)S3)=NC(C3=NC4=CC=C(Br)C=C4S3)=N1)=N2	1.9401	2.1616	2.3238	591.9000971	583.864	0.19256263	-0.232624896	223.0574709	77.34	3	4	0	0	11
1245	BrC1=CC=C2N=C(C3=NC(C4=NC5=C(C=C(Br)C=C5)S4)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)SC2=C1	1.9248	2.1616	2.3427	887.6428775	882.123	0.192562633	-0.232623517	265.1454285	77.34	3	4	0	0	13
1246	ClC1=CC=C(N(C2=CC=C(C3=CC=C4C=C(I)C=CC4=C3)C=C2)C2=CC=C(C3=NC4=C(C=CC=C4)S3)C=C2)C=C1	1.913	2.1609	2.3684	664.0236954	642.823	0.124105151	-0.310503442	255.2080583	16.13	6	1	0	0	5
1247	N#CC1=CC=C(N(C2=CC=C(C3=CC=C4C=C(Br)C=CC4=C3)C=C2)C2=CC=C(C3=CC=C4C=C(Br)C=CC4=C3)C=C2)C=C1	1.9378	2.1608	2.3223	678.030623	656.251	0.099111463	-0.310503731	267.2755597	27.03	7	0	0	0	4
1248	C1=CC=C(N(C2=CC=CC=C2)C2=CC=C(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.9039	2.1591	2.4029	478.1503697	456.444	0.124153376	-0.310505921	213.2675243	16.13	6	1	0	0	3
1249	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(C=C(Br)C=C5)S4)=NC(C4=NC5=C(C=C(I)C=C5)S4)=N3)SC2=C1	1.9227	2.1591	2.3403	717.7967451	710.768	0.192562629	-0.232623604	242.319309	77.34	3	4	0	0	12
1250	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(C=C(Br)C=C5)S4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)SC2=C1	1.9323	2.1588	2.3277	591.9000971	583.864	0.192562629	-0.232624896	223.0574709	77.34	3	4	0	0	11
1251	ClC1=CC=C2C=C(C3=NC(C4=CC=C5C=C(Br)C=CC5=C4)=NC(C4=CC=C5C=C(Br)C=CC5=C4)=N3)C=CC2=C1	1.9436	2.1585	2.3033	648.9555995	633.645	0.163616487	-0.208166599	246.3449847	38.67	6	1	0	0	6
1252	ClC1=CC=C2C=C(C3=NC(C4=CC=C5C=C(Cl)C=CC5=C4)=NC(C4=CC=C5C=C(Br)C=CC5=C4)=N3)C=CC2=C1	1.944	2.158	2.3017	605.006115	589.194	0.163616487	-0.208166599	242.7807033	38.67	6	1	0	0	6
1253	ClC1=CC=C2N=C(C3=NC(C4=CC=C5C=CC=CC5=C4)=NC(C4=NC5=C(C=C(I)C=C5)S4)=N3)SC2=C1	1.935	2.1575	2.317	632.9345631	620.823	0.192479983	-0.232623613	231.5917501	64.45	4	3	0	0	9
1254	N#CC1=CC=C(N(C2=CC=C(C3=CC=C4C=C(Cl)C=CC4=C3)C=C2)C2=CC=C(C3=NC4=C(C=CC=C4)O3)C=C2)C=C1	1.9167	2.1574	2.3489	547.14514	525.869	0.226807953	-0.436094686	241.8577079	53.06	6	1	0	0	5
1255	BrC1=CC2=C(C=C1)SC(C1=NC(C3=CC4=CC=C(I)C=C4C=C3)=NC(C3=NC4=C(C=C(Br)C=C4)S3)=N1)=N2	1.9351	2.1572	2.3157	754.7945596	745.178	0.192479982	-0.232623526	249.0235791	64.45	4	3	0	0	10
1256	ClC1=CC=C2N=C(C3=NC(C4=CC=C5C=C(Br)C=CC5=C4)=NC(C4=CC=C5C=C(I)C=CC5=C4)=N3)SC2=C1	1.9327	2.1565	2.3139	703.8934053	690.686	0.192397315	-0.232623089	248.5992865	51.56	5	2	0	0	8
1257	BrC1=CC=C2SC(C3=NC(C4=NC5=C(C=C(Br)C=C5)S4)=NC(C4=NC5=C(C=C(I)C=C5)S4)=N3)=NC2=C1	1.927	2.1565	2.3291	761.7462295	755.219	0.192562628	-0.232623604	245.8835904	77.34	3	4	0	0	12
1258	BrC1=CC=C(N(C2=CC=C(Br)C=C2)C2=CC=C(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.9071	2.1565	2.3867	633.9713938	616.252	0.124153376	-0.310503274	241.0026195	16.13	6	1	0	0	5
1259	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(C=C(Cl)C=C5)S4)=NC(C4=NC5=C(C=CC(Br)=C5)S4)=N3)SC2=C1	1.9322	2.1565	2.3228	625.8611247	619.317	0.192562629	-0.23262307	233.3607371	77.34	3	4	0	0	12
1260	ClC1=CC2=CC=C(C3=NC(C4=CC=C5C=C(I)C=CC5=C4)=NC(C4=NC5=CC=C(Br)C=C5S4)=N3)C=C2C=C1	1.9329	2.1561	2.3129	703.8934053	690.686	0.192397313	-0.232623536	248.5992865	51.56	5	2	0	0	8
1261	N#CC1=CC=C(N(C2=CC=C(Br)C=C2)C2=CC=C(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.9127	2.1556	2.3608	565.0789744	546.298	0.226864211	-0.43540916	233.0465596	53.06	6	1	0	0	5
1262	ClC1=CC=C2C=C(C3=NC(C4=CC=C5C=C(Br)C=CC5=C4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)C=CC2=C1	1.9406	2.155	2.3021	577.9967573	563.782	0.192397308	-0.232624915	229.3374484	51.56	5	2	0	0	7
1263	BrC1=CC=C2N=C(C3=NC(C4=NC5=C(C=C(Br)C=C5)S4)=NC(C4=NC5=C(C=CC=C5)O4)=N3)SC2=C1	1.9269	2.1548	2.3252	619.8724251	612.247	0.26572193	-0.433541018	221.7757182	90.48	3	4	0	0	11
1264	BrC1=CC=C2C=C(C3=CC=C(N(C4=CC=CC=C4)C4=CC=C(C5=NC6=C(C=CC=C6)O5)C=C4)C=C3)C=CC2=C1	1.9117	2.1544	2.3541	566.0993755	544.302	0.226807953	-0.436094686	234.6644675	29.27	6	1	0	0	4
1265	N#CC1=CC=C(N(C2=CC=C(C3=CC=C4C=CC=CC4=C3)C=C2)C2=CC=C(C3=NC4=C(C=CC=C4)O3)C=C2)C=C1	1.9157	2.1543	2.3444	513.1841124	490.416	0.226807953	-0.436094686	231.5544417	53.06	6	1	0	0	4
1266	ClC1=CC=C2C=C(C3=NC(C4=CC=C5C=C(Br)C=CC5=C4)=NC(C4=CC=C5C=C(I)C=CC5=C4)=N3)C=CC2=C1	1.9375	2.154	2.3001	696.9417354	680.645	0.163616487	-0.208166599	251.7392752	38.67	6	1	0	0	6
1267	ClC1=CC2=C(C=C1)N=C(C1=NC(C3=NC4=C(C=C(I)C=C4)S3)=NC(C3=CC4=CC=C(Br)C=C4C=C3)=N1)S2	1.9264	2.1533	2.3185	710.8450752	700.727	0.192479983	-0.232623613	245.4592977	64.45	4	3	0	0	10
1268	BrC1=CC=C(N(C2=CC=C(C3=CC=C4C=C(Br)C=CC4=C3)C=C2)C2=CC=C(C3=NC4=C(C=CC=C4)O3)C=C2)C=C1	1.9148	2.1529	2.3439	644.0098875	624.206	0.226807953	-0.436094686	248.5320151	29.27	6	1	0	0	5
1269	BrC1=CC2=CC=C(C3=NC(C4=NC5=CC(Br)=CC=C5S4)=NC(C4=CC=C5C=C(Br)C=CC5=C4)=N3)C=C2C=C1	1.9385	2.1526	2.3	699.8567538	688.137	0.192397314	-0.23258307	246.7692773	51.56	5	2	0	0	8
1270	ClC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=CC=C(Br)C=C4S3)=NC(C3=NC4=C(C=C(Br)C=C4)S3)=N1)=N2	1.9274	2.1525	2.3206	669.8106092	663.768	0.19256263	-0.232623517	236.9250185	77.34	3	4	0	0	12
1271	ClC1=CC2=C(C=C1)N=C(C1=NC(C3=NC4=C(C=C(Br)C=C4)S3)=NC(C3=CC4=CC=C(I)C=C4C=C3)=N1)S2	1.9258	2.1525	2.3173	710.8450752	700.727	0.192479983	-0.232623526	245.4592977	64.45	4	3	0	0	10
1272	N#CC1=CC=C(N(C2=CC=CC=C2)C2=CC=C(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.9013	2.1522	2.3822	503.1456187	482.462	0.124153376	-0.310504434	224.0250461	39.92	6	1	0	0	4
1273	N#CC1=CC=C(N(C2=CC=C(I)C=C2)C2=CC=C(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.8996	2.1518	2.3817	629.0422666	609.366	0.124153376	-0.310503194	243.2868842	39.92	6	1	0	0	5
1274	ClC1=CC2=CC=C(C3=NC(C4=CC=C5C=C(Br)C=CC5=C4)=NC(C4=NC5=CC=C(Cl)C=C5S4)=N3)C=C2C=C1	1.9331	2.1515	2.304	611.9577849	599.235	0.192397315	-0.232623089	239.6407146	51.56	5	2	0	0	8
1275	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(C=C(I)C=C5)S4)=NC(C4=NC5=C(C=C(I)C=C5)S4)=N3)SC2=C1	1.9145	2.1514	2.3332	765.782881	757.768	0.192562629	-0.232623604	247.7135995	77.34	3	4	0	0	12
1276	IC1=CC=C(N(C2=CC=C(C3=CC=C4C=C(I)C=CC4=C3)C=C2)C2=CC=C(C3=NC4=C(C=CC=C4)S3)C=C2)C=C1	1.9027	2.1514	2.3603	755.9593157	734.274	0.124105151	-0.310503954	264.1666302	16.13	6	1	0	0	5
1277	BrC1=CC2=CC=C(C3=NC(C4=CC=C5C=C(I)C=CC5=C4)=NC(C4=NC5=CC(Br)=CC=C5S4)=N3)C=C2C=C1	1.9342	2.1511	2.3009	747.8428897	735.137	0.192397314	-0.23258307	252.1635679	51.56	5	2	0	0	8
1278	IC1=CC=C2C=C(C3=CC=C(N(C4=CC=CC=C4)C4=CC=C(C5=NC6=C(C=CC=C6)O5)C=C4)C=C3)C=CC2=C1	1.9081	2.151	2.3496	614.0855114	591.302	0.226807953	-0.436094686	240.058758	29.27	6	1	0	0	4
1279	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(C=C(Cl)C=C5)S4)=NC(C4=NC5=C(C=C(I)C=C5)S4)=N3)SC2=C1	1.9176	2.1508	2.3286	673.8472606	666.317	0.192562629	-0.232623604	238.7550276	77.34	3	4	0	0	12
1280	BrC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=CC=C(Br)C=C4S3)=NC(C3=NC4=C(C=CC(Br)=C4)S3)=N1)=N2	1.9333	2.1506	2.3089	713.7600936	708.219	0.192562628	-0.232623517	240.4892998	77.34	3	4	0	0	12
1281	BrC1=CC=C2C=C(C3=NC(C4=NC5=C(C=C(Br)C=C5)S4)=NC(C4=NC5=C(C=CC(Br)=C5)S4)=N3)C=CC2=C1	1.9335	2.1504	2.3044	706.8084237	698.178	0.192479982	-0.232623526	243.6292886	64.45	4	3	0	0	10
1282	ClC1=CC=C(N(C2=CC=C(Cl)C=C2)C2=CC=C(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.9022	2.1502	2.3797	546.072425	527.35	0.124153376	-0.310502416	233.8740567	16.13	6	1	0	0	5
1283	BrC1=CC=C2N=C(C3=NC(C4=CC=C5C=CC=CC5=C4)=NC(C4=NC5=C(C=C(Br)C=C5)S4)=N3)SC2=C1	1.932	2.1498	2.3056	628.8979116	618.274	0.192479981	-0.232623526	229.761741	64.45	4	3	0	0	9
1284	ClC1=CC=C2C=C(C3=CC=C(N(C4=CC=CC=C4)C4=CC=C(C5=NC6=C(C=CC=C6)O5)C=C4)C=C3)C=CC2=C1	1.9088	2.1498	2.3476	522.149891	499.851	0.226807953	-0.436094686	231.1001861	29.27	6	1	0	0	4
1285	ClC1=CC=C2N=C(C3=NC(C4=CC=C5C=C(I)C=CC5=C4)=NC(C4=CC=C5C=C(I)C=CC5=C4)=N3)SC2=C1	1.9244	2.1495	2.308	751.8795412	737.686	0.192397315	-0.232623089	253.993577	51.56	5	2	0	0	8
1286	N#CC1=CC=C(N(C2=CC=C(C3=CC=C4C=C(I)C=CC4=C3)C=C2)C2=CC=C(C3=NC4=C(C=CC=C4)O3)C=C2)C=C1	1.9091	2.1491	2.3391	639.0807603	617.32	0.226807953	-0.436094686	250.8162798	53.06	6	1	0	0	5
1287	ClC1=CC2=C(C=C1)N=C(C1=NC(C3=NC4=C(C=C(I)C=C4)S3)=NC(C3=NC4=CC(Br)=CC=C4S3)=N1)S2	1.9224	2.1488	2.3181	717.7967451	710.768	0.192562629	-0.232623604	242.319309	77.34	3	4	0	0	12
1288	ClC1=CC2=C(C=C1)N=C(C1=NC(C3=CC4=CC=C(Br)C=C4C=C3)=NC(C3=NC4=C(C=C(Cl)C=C4)S3)=N1)S2	1.9268	2.1487	2.3091	618.9094548	609.276	0.192479983	-0.232623079	236.5007258	64.45	4	3	0	0	10
1289	ClC1=CC=C2SC(C3=NC(C4=NC5=C(C=C(Cl)C=C5)S4)=NC(C4=NC5=C(C=C(I)C=C5)S4)=N3)=NC2=C1	1.9214	2.1483	2.3184	673.8472606	666.317	0.19256263	-0.232623604	238.7550276	77.34	3	4	0	0	12
1290	N#CC1=CC=C(N(C2=CC=C(C3=CC=C4C=C(Br)C=CC4=C3)C=C2)C2=CC=C(C3=NC4=C(C=CC=C4)O3)C=C2)C=C1	1.911	2.1482	2.3359	591.0946244	570.32	0.226807953	-0.436094686	245.4219893	53.06	6	1	0	0	5
1291	BrC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=C(C=CC=C4)S3)=NC(C3=NC4=CC=C(Br)C=C4S3)=N1)=N2	1.931	2.1481	2.306	635.8495815	628.315	0.192562628	-0.232624896	226.6217522	77.34	3	4	0	0	11
1292	C1=CC=C(N(C2=CC=C(C3=CC=C4C=CC=CC4=C3)C=C2)C2=CC=C(C3=NC4=C(C=CC=C4)S3)C=C2)C=C1	1.9045	2.1477	2.3557	504.1660198	480.466	0.124105151	-0.310505194	225.6429539	16.13	6	1	0	0	3
1293	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(C=C(I)C=C5)S4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)SC2=C1	1.9207	2.147	2.3159	639.886233	630.864	0.192562629	-0.232624896	228.4517614	77.34	3	4	0	0	11
1294	BrC1=CC=C2C=C(C3=NC(C4=CC=C5C=C(Br)C=CC5=C4)=NC(C4=CC=C5C=C(I)C=CC5=C4)=N3)C=CC2=C1	1.93	2.1465	2.2934	740.8912198	725.096	0.163616487	-0.208166599	255.3035566	38.67	6	1	0	0	6
1295	BrC1=CC=C2C=C(C3=NC(C4=CC=C5C=CC=CC5=C4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)C=CC2=C1	1.9387	2.1465	2.2871	544.0357296	528.329	0.192397308	-0.232624915	219.0341821	51.56	5	2	0	0	6
1296	ClC1=CC2=C(C=C1)N=C(C1=NC(C3=NC4=C(C=CC=C4)S3)=NC(C3=CC4=CC=C(I)C=C4C=C3)=N1)S2	1.9267	2.1465	2.3029	632.9345631	620.823	0.192479983	-0.232624905	231.5917501	64.45	4	3	0	0	9
1297	ClC1=CC=C(N(C2=CC=C(C3=CC=C4C=C(Cl)C=CC4=C3)C=C2)C2=CC=C(C3=NC4=C(C=CC=C4)O3)C=C2)C=C1	1.9098	2.1464	2.3364	556.1109187	535.304	0.226807953	-0.436094686	241.4034524	29.27	6	1	0	0	5
1298	ClC1=CC2=C(C=C1)SC(C1=NC(C3=CC4=CC=C(Br)C=C4C=C3)=NC(C3=NC4=C(C=C(I)C=C4)S3)=N1)=N2	1.9263	2.1463	2.3038	710.8450752	700.727	0.192479984	-0.232623613	245.4592977	64.45	4	3	0	0	10
1299	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(C=C(Br)C=C5)S4)=NC(C4=NC5=C(C=CC(Br)=C5)S4)=N3)C=CC2=C1	1.9314	2.1461	2.2979	662.8589393	653.727	0.192479982	-0.232623526	240.0650072	64.45	4	3	0	0	10
1300	ClC1=CC=C2C=C(C3=NC(C4=CC=C5C=C(Cl)C=CC5=C4)=NC(C4=CC=C5C=C(Cl)C=CC5=C4)=N3)C=CC2=C1	1.9345	2.1461	2.2883	561.0566306	544.743	0.163616487	-0.208166599	239.216422	38.67	6	1	0	0	6
1301	ClC1=CC=C2SC(C3=NC(C4=CC=C5C=C(Br)C=CC5=C4)=NC(C4=CC=C5C=C(I)C=CC5=C4)=N3)=NC2=C1	1.9291	2.1459	2.2962	703.8934053	690.686	0.192397316	-0.232569564	248.5992865	51.56	5	2	0	0	8
1302	ClC1=CC=C(N(C2=CC=CC=C2)C2=CC=C(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.8971	2.1459	2.3791	512.1113974	491.897	0.124153376	-0.310504168	223.5707905	16.13	6	1	0	0	4
1303	BrC1=CC=C2N=C(C3=NC(C4=NC5=C(C=CC=C5)S4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)SC2=C1	1.9283	2.1451	2.3032	557.9390695	548.411	0.192562627	-0.232624896	212.7542046	77.34	3	4	0	0	10
1304	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(C=C(Cl)C=C5)S4)=NC(C4=NC5=C(C=C(I)C=C5)S4)=N3)C=CC2=C1	1.9213	2.145	2.3073	666.8955907	656.276	0.192479983	-0.232623613	241.8950164	64.45	4	3	0	0	10
1305	BrC1=CC2=C(C=C1)N=C(C1=NC(C3=NC4=C(C=CC=C4)S3)=NC(C3=CC4=CC=C(I)C=C4C=C3)=N1)S2	1.9249	2.1447	2.3017	676.8840475	665.274	0.192479981	-0.232624905	235.1560315	64.45	4	3	0	0	9
1306	ClC1=CC=C2N=C(C3=NC(C4=CC=C5C=CC=CC5=C4)=NC(C4=NC5=C(C=C(Cl)C=C5)S4)=N3)SC2=C1	1.9294	2.1442	2.2967	540.9989428	529.372	0.192479983	-0.232623079	222.6331782	64.45	4	3	0	0	9
1307	BrC1=CC=C2C=C(C3=NC(C4=CC=C5C=CC=CC5=C4)=NC(C4=NC5=C(C=C(Br)C=C5)S4)=N3)C=CC2=C1	1.9309	2.1431	2.2894	621.9462417	608.233	0.192397313	-0.232623536	232.9017297	51.56	5	2	0	0	7
1308	BrC1=CC=C2C=C(C3=NC(C4=NC5=C(C=CC(Br)=C5)S4)=NC(C4=NC5=C(C=CC(Br)=C5)S4)=N3)C=CC2=C1	1.9339	2.143	2.288	706.8084237	698.178	0.192479982	-0.232583061	243.6292886	64.45	4	3	0	0	10
1309	ClC1=CC=C2C=C(C3=NC(C4=CC=C5C=C(Cl)C=CC5=C4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)C=CC2=C1	1.9324	2.1425	2.2859	534.0472729	519.331	0.192397308	-0.232624915	225.773167	51.56	5	2	0	0	7
1310	BrC1=CC=C2N=C(C3=NC(C4=NC5=C(C=C(I)C=C5)S4)=NC(C4=NC5=C(C=C(I)C=C5)S4)=N3)SC2=C1	1.9074	2.1424	2.323	809.7323654	802.219	0.192562627	-0.232623604	251.2778809	77.34	3	4	0	0	12
1311	ClC1=CC2=CC=C(C3=NC(C4=CC=C5C=C(I)C=CC5=C4)=NC(C4=NC5=CC(Br)=CC=C5S4)=N3)C=C2C=C1	1.9309	2.1423	2.2863	703.8934053	690.686	0.192397314	-0.23258307	248.5992865	51.56	5	2	0	0	8
1312	BrC1=CC=C2C=C(C3=NC(C4=NC5=C(C=C(Br)C=C5)S4)=NC(C4=NC5=C(C=C(I)C=C5)S4)=N3)C=CC2=C1	1.9175	2.1415	2.3045	754.7945596	745.178	0.192479981	-0.232623613	249.0235791	64.45	4	3	0	0	10
1313	ClC1=CC=C2SC(C3=NC(C4=NC5=C(C=C(Cl)C=C5)S4)=NC(C4=NC5=C(C=C(Br)C=C5)S4)=N3)=NC2=C1	1.9195	2.1414	2.3067	625.8611247	619.317	0.19256263	-0.232623517	233.3607371	77.34	3	4	0	0	12
1314	BrC1=CC=C(N(C2=CC=C(C3=CC=C4C=C(I)C=CC4=C3)C=C2)C2=CC=C(C3=NC4=C(C=CC=C4)O3)C=C2)C=C1	1.9044	2.141	2.33	691.9960234	671.206	0.226807953	-0.436094686	253.9263056	29.27	6	1	0	0	5
1315	BrC1=CC=C2N=C(C3=NC(C4=CC=C5C=C(I)C=CC5=C4)=NC(C4=CC=C5C=C(I)C=CC5=C4)=N3)SC2=C1	1.9202	2.1406	2.2947	795.8290256	782.137	0.192397313	-0.232623536	257.5578584	51.56	5	2	0	0	8
1316	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(C=C(Br)C=C5)S4)=NC(C4=NC5=C(C=CC=C5)O4)=N3)SC2=C1	1.917	2.1402	2.3061	575.9229407	567.796	0.26572193	-0.433541018	218.2114369	90.48	3	4	0	0	11
1317	BrC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=CC=C(I)C=C4S3)=NC(C3=NC4=C(C=CC(Br)=C4)S3)=N1)=N2	1.9224	2.1398	2.2987	761.7462295	755.219	0.192562628	-0.232623604	245.8835904	77.34	3	4	0	0	12
1318	BrC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=CC=C(I)C=C4S3)=NC(C3=NC4=C(C=C(I)C=C4)S3)=N1)=N2	1.9127	2.1398	2.3099	809.7323654	802.219	0.192562628	-0.232623604	251.2778809	77.34	3	4	0	0	12
1319	BrC1=CC=C2C=C(C3=NC(C4=NC5=C(C=C(I)C=C5)S4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)C=CC2=C1	1.9226	2.1398	2.2943	676.8840475	665.274	0.192479981	-0.232624905	235.1560315	64.45	4	3	0	0	9
1320	BrC1=CC=C2C=C(C3=NC(C4=CC=C5C=C(I)C=CC5=C4)=NC(C4=CC=C5C=CC=CC5=C4)=N3)C=CC2=C1	1.9312	2.1397	2.2781	662.9807077	645.192	0.163616487	-0.208166599	241.436009	38.67	6	1	0	0	5
1321	IC1=CC=C2N=C(C3=NC(C4=NC5=C(C=C(I)C=C5)S4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)SC2=C1	1.9119	2.1394	2.3096	731.8218533	722.315	0.192562627	-0.232624896	237.4103333	77.34	3	4	0	0	11
1322	ClC1=CC=C2SC(C3=NC(C4=NC5=C(C=C(Br)C=C5)S4)=NC(C4=NC5=C(C=CC(Br)=C5)S4)=N3)=NC2=C1	1.9251	2.1393	2.2949	669.8106092	663.768	0.19256263	-0.232623517	236.9250185	77.34	3	4	0	0	12
1323	BrC1=CC2=C(C=C1)SC(C1=NC(C3=CC4=CC=C(I)C=C4C=C3)=NC(C3=NC4=C(C=C(I)C=C4)S3)=N1)=N2	1.9188	2.1383	2.2947	802.7806955	792.178	0.192479982	-0.232623613	254.4178696	64.45	4	3	0	0	10
1324	ClC1=CC=C2C=C(C3=NC(C4=CC=C5C=CC=CC5=C4)=NC(C4=NC5=C(C=C(I)C=C5)S4)=N3)C=CC2=C1	1.926	2.1382	2.2841	625.9828932	610.782	0.192397313	-0.232623623	234.7317389	51.56	5	2	0	0	7
1325	ClC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=CC=C(Cl)C=C4S3)=NC(C3=NC4=C(C=CC(Cl)=C4)S3)=N1)=N2	1.9242	2.1376	2.2924	581.9116403	574.866	0.19256263	-0.23262307	229.7964557	77.34	3	4	0	0	12
1326	ClC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=C(C=CC=C4)S3)=NC(C3=CC4=CC=C(Br)C=C4C=C3)=N1)=N2	1.9291	2.1375	2.2821	584.9484272	573.823	0.192479984	-0.232624905	226.1974596	64.45	4	3	0	0	9
1327	ClC1=CC=C2SC(C3=NC(C4=CC=C5C=C(Br)C=CC5=C4)=NC(C4=CC=C5C=C(Br)C=CC5=C4)=N3)=NC2=C1	1.926	2.1373	2.2829	655.9072694	643.686	0.192397316	-0.232569564	243.204996	51.56	5	2	0	0	8
1328	BrC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=CC=C(Br)C=C4S3)=NC(C3=CC=C4C=CC=CC4=C3)=N1)=N2	1.9297	2.1373	2.2818	628.8979116	618.274	0.192479982	-0.232623526	229.761741	64.45	4	3	0	0	9
1329	BrC1=CC=C2C=C(C3=NC(C4=CC=C5C=CC=CC5=C4)=NC(C4=CC=C5C=CC=CC5=C4)=N3)C=CC2=C1	1.9372	2.1373	2.2676	537.0840597	518.288	0.163616487	-0.208166599	222.1741709	38.67	6	1	0	0	4
1330	BrC1=CC=C(N(C2=CC=C(C3=CC=C4C=C(Br)C=CC4=C3)C=C2)C2=CC=C(C3=CC=C4C=C(Br)C=CC4=C3)C=C2)C=C1	1.9202	2.1369	2.295	730.9458861	710.137	0.046189142	-0.310503894	270.3855855	3.24	7	0	0	0	4
1331	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(C=C(I)C=C5)S4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)C=CC2=C1	1.9208	2.1363	2.2891	632.9345631	620.823	0.192479981	-0.232624905	231.5917501	64.45	4	3	0	0	9
1332	BrC1=CC=C2C=C(C3=CC=C(N(C4=CC=CC=C4)C4=CC=C(C5=CC=C6C=C(I)C=CC6=C5)C=C4)C=C3)C=CC2=C1	1.915	2.1361	2.3002	701.0215099	677.233	0.046153544	-0.310505217	261.9123284	3.24	7	0	0	0	3
1333	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(C=C(Cl)C=C5)S4)=NC(C4=NC5=C(C=CC(Br)=C5)S4)=N3)C=CC2=C1	1.9238	2.1357	2.2852	618.9094548	609.276	0.192479983	-0.232623079	236.5007258	64.45	4	3	0	0	10
1334	ClC1=CC2=CC=C(C3=CC=C(N(C4=CC=C(Br)C=C4)C4=CC=C(C5=NC6=C(C=CC=C6)O5)C=C4)C=C3)C=C2C=C1	1.9028	2.1357	2.322	600.0604031	579.755	0.226807953	-0.436094686	244.9677338	29.27	6	1	0	0	5
1335	BrC1=CC2=C(C=C1)N=C(C1=NC(C3=NC4=C(C=C(I)C=C4)S3)=NC(C3=CC4=CC=C(I)C=C4C=C3)=N1)S2	1.9103	2.1357	2.3001	802.7806955	792.178	0.192479981	-0.232623613	254.4178696	64.45	4	3	0	0	10
1336	BrC1=CC=C2N=C(C3=NC(C4=CC=C5C=CC=CC5=C4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)SC2=C1	1.927	2.1355	2.281	550.9873995	538.37	0.192479981	-0.232624905	215.8941934	64.45	4	3	0	0	8
1337	ClC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=CC=C(I)C=C4S3)=NC(C3=NC4=C(C=C(I)C=C4)S3)=N1)=N2	1.9091	2.1355	2.3052	765.782881	757.768	0.19256263	-0.232623604	247.7135995	77.34	3	4	0	0	12
1338	IC1=CC=C2C=C(C3=NC(C4=CC=C5C=C(I)C=CC5=C4)=NC(C4=CC=C5C=C(I)C=CC5=C4)=N3)C=CC2=C1	1.9175	2.1353	2.283	836.8634916	819.096	0.163616487	-0.208166599	266.0921376	38.67	6	1	0	0	6
1339	BrC1=CC=C2C=C(C3=NC(C4=CC=C5C=C(Br)C=CC5=C4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)C=CC2=C1	1.9277	2.1351	2.2761	621.9462417	608.233	0.192397308	-0.232624915	232.9017297	51.56	5	2	0	0	7
1340	BrC1=CC=C2N=C(C3=NC(C4=CC=C5C=CC=CC5=C4)=NC(C4=CC=C5C=CC=CC5=C4)=N3)SC2=C1	1.9304	2.1347	2.2728	544.0357296	528.329	0.192397313	-0.232623536	219.0341821	51.56	5	2	0	0	6
1341	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(C=CC(Br)=C5)S4)=NC(C4=NC5=C(C=CC(Br)=C5)S4)=N3)C=CC2=C1	1.9287	2.1344	2.2764	662.8589393	653.727	0.192479982	-0.232583061	240.0650072	64.45	4	3	0	0	10
1342	BrC1=CC=C2C=C(C3=NC(C4=CC=C5C=C(Br)C=CC5=C4)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)C=CC2=C1	1.9186	2.1342	2.2838	873.7395376	862.041	0.192397318	-0.232584389	271.425406	51.56	5	2	0	0	9
1343	ClC1=CC2=C(C=C1)N=C(C1=NC(C3=NC4=C(C=CC=C4)S3)=NC(C3=CC4=CC=C(Br)C=C4C=C3)=N1)S2	1.921	2.1339	2.2846	584.9484272	573.823	0.192479983	-0.232624905	226.1974596	64.45	4	3	0	0	9
1344	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(C=C(Cl)C=C5)S4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)SC2=C1	1.9152	2.1339	2.2957	547.9506127	539.413	0.192562629	-0.232624896	219.4931895	77.34	3	4	0	0	11
1345	ClC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=CC=C(Br)C=C4S3)=NC(C3=NC4=C(C=CC(Cl)=C4)S3)=N1)=N2	1.9204	2.1337	2.2888	625.8611247	619.317	0.19256263	-0.232623517	233.3607371	77.34	3	4	0	0	12
1346	ClC1=CC=C(N(C2=CC=C(C3=CC=C4C=C(Br)C=CC4=C3)C=C2)C2=CC=C(C3=NC4=C(C=CC=C4)O3)C=C2)C=C1	1.9003	2.133	2.3191	600.0604031	579.755	0.226807953	-0.436094686	244.9677338	29.27	6	1	0	0	5
1347	ClC1=CC2=CC=C(C3=NC(C4=CC=C5C=C(Br)C=CC5=C4)=NC(C4=NC5=CC(Br)=CC=C5S4)=N3)C=C2C=C1	1.9272	2.1329	2.2723	655.9072694	643.686	0.192397314	-0.23258307	243.204996	51.56	5	2	0	0	8
1348	BrC1=CC=C2C=C(C3=NC(C4=NC5=C(C=C(I)C=C5)S4)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)C=CC2=C1	1.9087	2.1324	2.2947	928.6773435	919.082	0.192479987	-0.232623613	273.6797077	64.45	4	3	0	0	11
1349	ClC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=NC(C3=NC4=CC=C(Br)C=C4S3)=N1)=N2	1.9105	2.1323	2.297	843.693393	837.672	0.192562633	-0.232623517	261.5811471	77.34	3	4	0	0	13
1350	C1=CC=C(N(C2=CC=C(C3=CC=C4C=CC=CC4=C3)C=C2)C2=CC=C(C3=NC4=C(C=CC=C4)O3)C=C2)C=C1	1.8998	2.1323	2.3209	488.1888634	464.398	0.226807953	-0.436094686	220.7969199	29.27	6	1	0	0	3
1351	BrC1=CC=C2C=C(C3=NC(C4=NC5=C(C=C(I)C=C5)S4)=NC(C4=NC5=C(C=CC(Br)=C5)S4)=N3)C=CC2=C1	1.9173	2.132	2.2844	754.7945596	745.178	0.192479982	-0.232623613	249.0235791	64.45	4	3	0	0	10
1352	BrC1=CC=C2C=C(C3=CC=C(N(C4=CC=CC=C4)C4=CC=C(C5=CC=C6C=C(Br)C=CC6=C5)C=C4)C=C3)C=CC2=C1	1.9158	2.132	2.2913	653.035374	630.233	0.046153544	-0.310505217	256.5180379	3.24	7	0	0	0	3
1353	IC1=CC=C2C=C(C3=NC(C4=NC5=C(C=C(I)C=C5)S4)=NC(C4=NC5=C(C=C(I)C=C5)S4)=N3)C=CC2=C1	1.9049	2.1317	2.2974	850.7668314	839.178	0.192479981	-0.232623613	259.8121601	64.45	4	3	0	0	10
1354	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(C=C(I)C=C5)S4)=NC(C4=NC5=C(C=C(I)C=C5)S4)=N3)C=CC2=C1	1.9082	2.1311	2.2933	758.8312111	747.727	0.192479981	-0.232623613	250.8535882	64.45	4	3	0	0	10
1355	IC1=CC=C(N(C2=CC=C(C3=CC=C4C=CC=CC4=C3)C=C2)C2=CC=C(C3=NC4=C(C=CC=C4)O3)C=C2)C=C1	1.8995	2.1311	2.3155	614.0855114	591.302	0.226807953	-0.436094686	240.058758	29.27	6	1	0	0	4
1356	ClC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=C(C=CC=C4)S3)=NC(C3=NC4=CC=C(Cl)C=C4S3)=N1)=N2	1.9191	2.1307	2.2837	547.9506127	539.413	0.19256263	-0.232624896	219.4931895	77.34	3	4	0	0	11
1357	BrC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=C(C=CC=C4)S3)=NC(C3=CC4=CC=C(I)C=C4C=C3)=N1)=N2	1.921	2.1306	2.2765	676.8840475	665.274	0.192479982	-0.232624905	235.1560315	64.45	4	3	0	0	9
1358	ClC1=CC=C(N(C2=CC=C(C3=CC=C4C=C(Br)C=CC4=C3)C=C2)C2=CC=C(C3=CC=C4C=C(I)C=CC4=C3)C=C2)C=C1	1.9151	2.1306	2.2867	734.9825375	712.686	0.046214639	-0.310503465	272.2155946	3.24	7	0	0	0	4
1359	N#CC1=CC=C(N(C2=CC=C(C3=CC=C4C=CC=CC4=C3)C=C2)C2=CC=C(C3=CC=C4C=C(I)C=CC4=C3)C=C2)C=C1	1.9173	2.1306	2.2824	648.1062468	623.347	0.099111463	-0.310503731	258.8023026	27.03	7	0	0	0	3
1360	BrC1=CC=C2SC(C3=NC(C4=NC5=C(C=CC(Br)=C5)S4)=NC(C4=NC5=C(C=CC(Br)=C5)S4)=N3)=NC2=C1	1.9257	2.13	2.2742	713.7600936	708.219	0.192562628	-0.232583051	240.4892998	77.34	3	4	0	0	12
1361	BrC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=NC(C3=NC4=CC=C(Br)C=C4S3)=N1)=N2	1.9089	2.13	2.2941	887.6428775	882.123	0.192562633	-0.232623517	265.1454285	77.34	3	4	0	0	13
1362	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(C=CC=C5)S4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)C=CC2=C1	1.9241	2.1299	2.2722	507.0379151	493.919	0.192479976	-0.232624905	212.329912	64.45	4	3	0	0	8
1363	IC1=CC=C2C=C(C3=NC(C4=CC=C5C=C(I)C=CC5=C4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)C=CC2=C1	1.9152	2.1297	2.2777	717.9185135	702.233	0.192397308	-0.232624915	243.6903108	51.56	5	2	0	0	7
1364	ClC1=CC=C2C=C(C3=NC(C4=CC=C5C=C(I)C=CC5=C4)=NC(C4=CC=C5C=C(I)C=CC5=C4)=N3)C=CC2=C1	1.9166	2.1294	2.2728	744.9278713	727.645	0.163616487	-0.208166599	257.1335657	38.67	6	1	0	0	6
1365	ClC1=CC2=CC=C(C3=NC(C4=CC=C5C=C(I)C=CC5=C4)=NC(C4=NC5=CC=C(I)C=C5S4)=N3)C=C2C=C1	1.9128	2.1294	2.2802	751.8795412	737.686	0.192397313	-0.232623623	253.993577	51.56	5	2	0	0	8
1366	ClC1=CC2=CC=C(C3=NC(C4=CC=C5C=C(Br)C=CC5=C4)=NC(C4=NC5=CC=C(I)C=C5S4)=N3)C=C2C=C1	1.9139	2.1293	2.2798	703.8934053	690.686	0.192397313	-0.232623623	248.5992865	51.56	5	2	0	0	8
1367	ClC1=CC=C2N=C(C3=NC(C4=CC=C5C=CC=CC5=C4)=NC(C4=CC=C5C=CC=CC5=C4)=N3)SC2=C1	1.9267	2.1292	2.2658	500.0862452	483.878	0.192397315	-0.232623089	215.4699008	51.56	5	2	0	0	6
1368	BrC1=CC=C2C=C(C3=NC(C4=CC=C5C=CC=CC5=C4)=NC(C4=NC5=C(C=CC(Br)=C5)S4)=N3)C=CC2=C1	1.9267	2.1292	2.2654	621.9462417	608.233	0.192397314	-0.23258307	232.9017297	51.56	5	2	0	0	7
1369	ClC1=CC=C(N(C2=CC=C(I)C=C2)C2=CC=C(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.8861	2.129	2.3507	638.0080453	618.801	0.124153376	-0.310502928	242.8326286	16.13	6	1	0	0	5
1370	N#CC1=CC=C(N(C2=CC=CC=C2)C2=CC=C(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.8924	2.1288	2.3295	487.1684623	466.394	0.226864211	-0.43540916	219.179012	53.06	6	1	0	0	4
1371	N#CC1=CC=C(N(C2=CC=C(Cl)C=C2)C2=CC=C(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.8933	2.1287	2.3269	521.1294899	501.847	0.226864211	-0.43540916	229.4822783	53.06	6	1	0	0	5
1372	ClC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=CC=C(Cl)C=C4S3)=NC(C3=NC4=C(C=C(Cl)C=C4)S3)=N1)=N2	1.9115	2.1285	2.2888	581.9116403	574.866	0.19256263	-0.23262307	229.7964557	77.34	3	4	0	0	12
1373	BrC1=CC2=CC=C(C3=CC=C(N(C4=CC=C(I)C=C4)C4=CC=C(C5=CC=C6C=C(I)C=CC6=C5)C=C4)C=C3)C=C2C=C1	1.91	2.1282	2.2869	826.9181579	804.137	0.04618418	-0.310503977	281.1741665	3.24	7	0	0	0	4
1374	BrC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=NC(C3=NC4=CC=C(I)C=C4S3)=N1)=N2	1.9051	2.1281	2.2937	935.6290134	929.123	0.192562633	-0.232623604	270.539719	77.34	3	4	0	0	13
1375	BrC1=CC=C2C=C(C3=NC(C4=CC=C5C=C(I)C=CC5=C4)=NC(C4=CC=C5C=C(I)C=CC5=C4)=N3)C=CC2=C1	1.9138	2.128	2.2732	788.8773557	772.096	0.163616487	-0.208166599	260.6978471	38.67	6	1	0	0	6
1376	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(C=CC(Br)=C5)S4)=NC(C4=NC5=C(C=CC(Br)=C5)S4)=N3)SC2=C1	1.9179	2.128	2.2797	669.8106092	663.768	0.192562629	-0.23262307	236.9250185	77.34	3	4	0	0	12
1377	BrC1=CC=C(N(C2=CC=C(Br)C=C2)C2=CC=C(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.8974	2.1279	2.3206	617.9942375	600.184	0.226864211	-0.43540916	236.1565855	29.27	6	1	0	0	5
1378	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(C=CC=C5)S4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)SC2=C1	1.9162	2.1275	2.2804	513.989585	503.96	0.192562629	-0.232624896	209.1899233	77.34	3	4	0	0	10
1379	BrC1=CC=C2N=C(C3=NC(C4=CC=C5C=CC=CC5=C4)=NC(C4=NC5=C(C=C(I)C=C5)S4)=N3)SC2=C1	1.913	2.1275	2.2805	676.8840475	665.274	0.192479981	-0.232623613	235.1560315	64.45	4	3	0	0	9
1380	ClC1=CC=C(N(C2=CC=C(C3=CC=C4C=C(Cl)C=CC4=C3)C=C2)C2=CC=C(C3=CC=C4C=C(Br)C=CC4=C3)C=C2)C=C1	1.9149	2.1259	2.2779	643.0469172	621.235	0.046214639	-0.310503465	263.2570227	3.24	7	0	0	0	4
1381	ClC1=CC=C2C=C(C3=CC=C(N(C4=CC=CC=C4)C4=CC=C(C5=CC=C6C=C(Br)C=CC6=C5)C=C4)C=C3)C=CC2=C1	1.913	2.1257	2.2811	609.0858896	585.782	0.046153544	-0.310505217	252.9537565	3.24	7	0	0	0	3
1382	ClC1=CC2=CC=C(C3=NC(C4=NC5=CC(Br)=CC=C5S4)=NC(C4=CC=C5C=C(Cl)C=CC5=C4)=N3)C=C2C=C1	1.9198	2.1256	2.2658	611.9577849	599.235	0.192397314	-0.23258307	239.6407146	51.56	5	2	0	0	8
1383	BrC1=CC2=C(C=C1)N=C(C1=NC(C3=CC4=CC=C(I)C=C4C=C3)=NC(C3=CC=C4C=CC=CC4=C3)=N1)S2	1.9147	2.1247	2.2692	669.9323776	655.233	0.192397313	-0.232623536	238.2960203	51.56	5	2	0	0	7
1384	BrC1=CC=C(N(C2=CC=C(C3=CC=C4C=CC=CC4=C3)C=C2)C2=CC=C(C3=NC4=C(C=CC=C4)O3)C=C2)C=C1	1.8966	2.1245	2.306	566.0993755	544.302	0.226807953	-0.436094686	234.6644675	29.27	6	1	0	0	4
1385	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(C=C(Cl)C=C5)S4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)C=CC2=C1	1.9153	2.1243	2.2714	540.9989428	529.372	0.192479983	-0.232624905	222.6331782	64.45	4	3	0	0	9
1386	ClC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=CC=C(Cl)C=C4S3)=NC(C3=CC=C4C=CC=CC4=C3)=N1)=N2	1.9199	2.1243	2.2662	540.9989428	529.372	0.192479984	-0.232623079	222.6331782	64.45	4	3	0	0	9
1387	ClC1=CC2=CC=C(C3=CC=C(N(C4=CC=C(Br)C=C4)C4=CC=C(C5=CC=C6C=C(Cl)C=CC6=C5)C=C4)C=C3)C=C2C=C1	1.9126	2.1241	2.2772	643.0469172	621.235	0.046189142	-0.310503894	263.2570227	3.24	7	0	0	0	4
1388	BrC1=CC=C(N(C2=CC=CC=C2)C2=CC=C(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.8932	2.1239	2.3186	540.0837254	520.28	0.226864211	-0.43540916	222.2890379	29.27	6	1	0	0	4
1389	ClC1=CC=C2SC(C3=NC(C4=NC5=C(C=C(Cl)C=C5)S4)=NC(C4=NC5=C(C=CC(Br)=C5)S4)=N3)=NC2=C1	1.9145	2.1239	2.2751	625.8611247	619.317	0.19256263	-0.23262307	233.3607371	77.34	3	4	0	0	12
1390	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(C=C(I)C=C5)S4)=NC(C4=NC5=C(C=CC(Cl)=C5)S4)=N3)C=CC2=C1	1.9109	2.1239	2.2751	666.8955907	656.276	0.192479984	-0.232623613	241.8950164	64.45	4	3	0	0	10
1391	ClC1=CC=C2C=C(C3=NC(C4=CC=C5C=C(Cl)C=CC5=C4)=NC(C4=CC=C5C=CC=CC5=C4)=N3)C=CC2=C1	1.9237	2.1238	2.2552	527.095603	509.29	0.163616487	-0.208166599	228.9131557	38.67	6	1	0	0	5
1392	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(C=C(Br)C=C5)S4)=NC(C4=NC5=C(C=CC(Cl)=C5)S4)=N3)C=CC2=C1	1.9144	2.1234	2.2707	618.9094548	609.276	0.192479984	-0.232623526	236.5007258	64.45	4	3	0	0	10
1393	BrC1=CC=C2N=C(C3=NC(C4=NC5=C(C=C(I)C=C5)S4)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)SC2=C1	1.8946	2.1231	2.2969	935.6290134	929.123	0.192562633	-0.232623604	270.539719	77.34	3	4	0	0	13
1394	BrC1=CC=C2SC(C3=NC(C4=NC5=C(C=CC(Br)=C5)S4)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)=NC2=C1	1.9106	2.123	2.2764	887.6428775	882.123	0.192562633	-0.23258437	265.1454285	77.34	3	4	0	0	13
1395	BrC1=CC=C2C=C(C3=NC(C4=CC=C5C=C(I)C=CC5=C4)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)C=CC2=C1	1.9063	2.1228	2.2739	921.7256735	909.041	0.192397318	-0.232584389	276.8196965	51.56	5	2	0	0	9
1396	BrC1=CC=C2C=C(C3=NC(C4=NC5=C(C=CC(Br)=C5)S4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)C=CC2=C1	1.9185	2.1227	2.2639	628.8979116	618.274	0.192479982	-0.232624905	229.761741	64.45	4	3	0	0	9
1397	IC1=CC=C(N(C2=CC=CC=C2)C2=CC=C(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.8793	2.1225	2.348	604.0470177	583.348	0.124153376	-0.310504681	232.5293624	16.13	6	1	0	0	4
1398	BrC1=CC=C2SC(C3=NC(C4=CC=C5C=CC=CC5=C4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)=NC2=C1	1.924	2.1223	2.2571	550.9873995	538.37	0.192479982	-0.232624905	215.8941934	64.45	4	3	0	0	8
1399	BrC1=CC=C2C=C(C3=NC(C4=CC=C5C=C(I)C=CC5=C4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)C=CC2=C1	1.9151	2.122	2.2628	669.9323776	655.233	0.192397308	-0.232624915	238.2960203	51.56	5	2	0	0	7
1400	IC1=CC=C(N(C2=CC=C(I)C=C2)C2=CC=C(C3=NC4=C(S3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.8792	2.1219	2.3435	729.9436656	710.252	0.124153376	-0.310503441	251.7912005	16.13	6	1	0	0	5
1401	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(C=C(I)C=C5)S4)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)SC2=C1	1.8944	2.1218	2.294	891.6795289	884.672	0.192562633	-0.232623604	266.9754376	77.34	3	4	0	0	13
1402	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(C=C(I)C=C5)S4)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)C=CC2=C1	1.9015	2.1215	2.2802	884.727859	874.631	0.192479987	-0.232623613	270.1154264	64.45	4	3	0	0	11
1403	BrC1=CC=C2C=C(C3=NC(C4=NC5=C(C=C(Br)C=C5)S4)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)C=CC2=C1	1.9033	2.1213	2.2786	880.6912076	872.082	0.192479987	-0.232623526	268.2854172	64.45	4	3	0	0	11
1404	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(C=C(Br)C=C5)S4)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)SC2=C1	1.8966	2.1212	2.2908	843.693393	837.672	0.192562633	-0.232623517	261.5811471	77.34	3	4	0	0	13
1405	ClC1=CC=C2C=C(C3=NC(C4=CC=C5C=CC=CC5=C4)=NC(C4=NC5=C(C=CC(Br)=C5)S4)=N3)C=CC2=C1	1.9216	2.1209	2.2544	577.9967573	563.782	0.192397314	-0.23258307	229.3374484	51.56	5	2	0	0	7
1406	BrC1=CC2=CC=C(C3=CC=C(N(C4=CC=C(I)C=C4)C4=CC=C(C5=CC=C6C=C(Br)C=CC6=C5)C=C4)C=C3)C=C2C=C1	1.9069	2.1208	2.2762	778.932022	757.137	0.04618418	-0.310503977	275.779876	3.24	7	0	0	0	4
1407	BrC1=CC=C2SC(C3=NC(C4=CC=C5C=C(I)C=CC5=C4)=NC(C4=CC=C5C=C(I)C=CC5=C4)=N3)=NC2=C1	1.9093	2.1208	2.2663	795.8290256	782.137	0.192397314	-0.23258307	257.5578584	51.56	5	2	0	0	8
1408	ClC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=NC(C3=NC4=CC=C(Cl)C=C4S3)=N1)=N2	1.9022	2.1207	2.2822	799.7439086	793.221	0.192562633	-0.23262307	258.0168657	77.34	3	4	0	0	13
1409	ClC1=CC=C2C=C(C3=NC(C4=CC=C5C=C(Br)C=CC5=C4)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)C=CC2=C1	1.9094	2.1206	2.2665	829.7900532	817.59	0.192397318	-0.232584389	267.8611246	51.56	5	2	0	0	9
1410	IC1=CC=C2C=C(C3=NC(C4=NC5=C(C=C(I)C=C5)S4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)C=CC2=C1	1.9053	2.1204	2.2731	724.8701834	712.274	0.192479981	-0.232624905	240.550322	64.45	4	3	0	0	9
1411	ClC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=CC=C(Br)C=C4S3)=NC(C3=NC4=C(C=CC=C4)O3)=N1)=N2	1.9082	2.12	2.2735	575.9229407	567.796	0.26572193	-0.433541018	218.2114369	90.48	3	4	0	0	11
1412	ClC1=CC=C2N=C(C3=NC(C4=CC=C5C=CC=CC5=C4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)SC2=C1	1.9168	2.1199	2.2607	507.0379151	493.919	0.192479983	-0.232624905	212.329912	64.45	4	3	0	0	8
1413	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(C=CC(Br)=C5)S4)=NC(C4=NC5=C(C=CC=C5)O4)=N3)C=CC2=C1	1.9151	2.1198	2.2613	568.9712708	557.755	0.265720471	-0.433541026	221.3514256	77.59	4	3	0	0	9
1414	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(C=CC(Br)=C5)S4)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)SC2=C1	1.9016	2.1194	2.2802	843.693393	837.672	0.192562633	-0.23262307	261.5811471	77.34	3	4	0	0	13
1415	ClC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=C(C=CC=C4)S3)=NC(C3=CC4=CC=C(I)C=C4C=C3)=N1)=N2	1.9124	2.1192	2.2627	632.9345631	620.823	0.192479984	-0.232624905	231.5917501	64.45	4	3	0	0	9
1416	ClC1=CC=C2N=C(C3=NC(C4=CC=C5C=CC=CC5=C4)=NC(C4=NC5=C(C=CC(Br)=C5)S4)=N3)SC2=C1	1.9163	2.119	2.2594	584.9484272	573.823	0.192479983	-0.232623079	226.1974596	64.45	4	3	0	0	9
1417	ClC1=CC=C2C=C(C3=NC(C4=CC=C5C=C(Br)C=CC5=C4)=NC(C4=NC5=C(C=CC=C5)O4)=N3)C=CC2=C1	1.9122	2.1188	2.26	562.0196009	547.714	0.265719011	-0.433541033	224.4914144	64.7	5	2	0	0	7
1418	N#CC1=CC=C(N(C2=CC=C(I)C=C2)C2=CC=C(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.8847	2.1188	2.3144	613.0651103	593.298	0.226864211	-0.43540916	238.4408502	53.06	6	1	0	0	5
1419	ClC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=CC=C(Br)C=C4S3)=NC(C3=CC=C4C=CC=CC4=C3)=N1)=N2	1.9157	2.1186	2.2594	584.9484272	573.823	0.192479984	-0.232623526	226.1974596	64.45	4	3	0	0	9
1420	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(C=C(Br)C=C5)S4)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)C=CC2=C1	1.9022	2.1186	2.2741	836.7417231	827.631	0.192479987	-0.232623526	264.7211359	64.45	4	3	0	0	11
1421	BrC1=CC=C2N=C(C3=NC(C4=NC5=C(C=CC=C5)O4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)SC2=C1	1.9061	2.1186	2.2733	541.9619131	532.343	0.26572193	-0.433541018	207.9081706	90.48	3	4	0	0	10
1422	ClC1=CC=C2C=C(C3=NC(C4=CC=C5C=C(I)C=CC5=C4)=NC(C4=NC5=C(C=CC=C5)O4)=N3)C=CC2=C1	1.9087	2.1186	2.2624	610.0057368	594.714	0.265719011	-0.433541033	229.8857049	64.7	5	2	0	0	7
1423	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(C=CC(Br)=C5)S4)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)C=CC2=C1	1.9078	2.1184	2.2666	836.7417231	827.631	0.192479987	-0.232584379	264.7211359	64.45	4	3	0	0	11
1424	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(C=C(Cl)C=C5)S4)=NC(C4=NC5=C(C=CC(Cl)=C5)S4)=N3)C=CC2=C1	1.9105	2.1182	2.2642	574.9599704	564.825	0.192479984	-0.232623079	232.9364445	64.45	4	3	0	0	10
1425	BrC1=CC=C2C=C(C3=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)C=CC2=C1	1.9069	2.1178	2.2663	802.7806955	792.178	0.192479987	-0.232624905	254.4178696	64.45	4	3	0	0	10
1426	ClC1=CC=C2SC(C3=NC(C4=CC=C5C=C(I)C=CC5=C4)=NC(C4=CC=C5C=C(I)C=CC5=C4)=N3)=NC2=C1	1.9064	2.1178	2.2635	751.8795412	737.686	0.192397316	-0.232569564	253.993577	51.56	5	2	0	0	8
1427	N#CC1=CC=C(N(C2=CC=C(C3=CC=C4C=CC=CC4=C3)C=C2)C2=CC=C(C3=CC=C4C=C(Br)C=CC4=C3)C=C2)C=C1	1.9091	2.1175	2.2661	600.1201109	576.347	0.099111463	-0.310503731	253.4080121	27.03	7	0	0	0	3
1428	BrC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=CC=C(I)C=C4S3)=NC(C3=CC=C4C=CC=CC4=C3)=N1)=N2	1.9123	2.1175	2.2602	676.8840475	665.274	0.192479982	-0.232623613	235.1560315	64.45	4	3	0	0	9
1429	ClC1=CC=C2SC(C3=NC(C4=NC5=C(C=CC(Cl)=C5)S4)=NC(C4=NC5=C(C=CC(Br)=C5)S4)=N3)=NC2=C1	1.9158	2.1174	2.2595	625.8611247	619.317	0.19256263	-0.232583051	233.3607371	77.34	3	4	0	0	12
1430	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(C=CC=C5)O4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)SC2=C1	1.9059	2.1174	2.2708	498.0124287	487.892	0.26572193	-0.433541018	204.3438893	90.48	3	4	0	0	10
1431	ClC1=CC=C2N=C(C3=NC(C4=CC=C5C=CC=CC5=C4)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)SC2=C1	1.9068	2.1173	2.2658	758.8312111	747.727	0.192479987	-0.232623079	250.8535882	64.45	4	3	0	0	10
1432	ClC1=CC=C(N(C2=CC=CC=C2)C2=CC=C(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.8885	2.1173	2.3098	496.134241	475.829	0.226864211	-0.43540916	218.7247565	29.27	6	1	0	0	4
1433	BrC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=C(C=CC=C4)S3)=NC(C3=NC4=CC=C(I)C=C4S3)=N1)=N2	1.9052	2.117	2.271	683.8357174	675.315	0.192562628	-0.232624896	232.0160428	77.34	3	4	0	0	11
1434	ClC1=CC=C2SC(C3=NC(C4=NC5=C(C=CC=C5)S4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)=NC2=C1	1.9143	2.1169	2.2602	513.989585	503.96	0.19256263	-0.232624896	209.1899233	77.34	3	4	0	0	10
1435	N#CC1=CC=C(N(C2=CC=C(C3=CC=C4C=C(I)C=CC4=C3)C=C2)C2=CC=C(C3=CC=C4C=C(I)C=CC4=C3)C=C2)C=C1	1.9003	2.1167	2.2728	774.0028948	750.251	0.099111463	-0.310503731	278.0641407	27.03	7	0	0	0	4
1436	ClC1=CC2=CC=C(C3=CC=C(N(C4=CC=C(Br)C=C4)C4=CC=C(C5=CC=C6C=CC=CC6=C5)C=C4)C=C3)C=C2C=C1	1.9118	2.1167	2.2624	609.0858896	585.782	0.046189142	-0.310503894	252.9537565	3.24	7	0	0	0	3
1437	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(C=C(Cl)C=C5)S4)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)C=CC2=C1	1.9015	2.1165	2.2704	792.7922387	783.18	0.192479987	-0.232623079	261.1568545	64.45	4	3	0	0	11
1438	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(C=CC(Br)=C5)S4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)C=CC2=C1	1.9148	2.1164	2.2551	584.9484272	573.823	0.192479982	-0.232624905	226.1974596	64.45	4	3	0	0	9
1439	BrC1=CC2=CC=C(C3=CC=C(N(C4=CC=C(I)C=C4)C4=CC=C(C5=NC6=C(C=CC=C6)O5)C=C4)C=C3)C=C2C=C1	1.8863	2.1159	2.2988	691.9960234	671.206	0.226807953	-0.436094686	253.9263056	29.27	6	1	0	0	5
1440	ClC1=CC=C(N(C2=CC=C(C3=CC=C4C=CC=CC4=C3)C=C2)C2=CC=C(C3=CC=C4C=C(Br)C=CC4=C3)C=C2)C=C1	1.9106	2.1159	2.2622	609.0858896	585.782	0.046214639	-0.310503465	252.9537565	3.24	7	0	0	0	3
1441	IC1=CC=C2C=C(C3=CC=C(N(C4=CC=CC=C4)C4=CC=C(C5=CC=C6C=C(I)C=CC6=C5)C=C4)C=C3)C=CC2=C1	1.8971	2.1159	2.2783	749.0076458	724.233	0.046153544	-0.310505217	267.3066189	3.24	7	0	0	0	3
1442	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(C=CC(Cl)=C5)S4)=NC(C4=NC5=C(C=CC(Br)=C5)S4)=N3)C=CC2=C1	1.9142	2.1151	2.2533	618.9094548	609.276	0.192479984	-0.232583061	236.5007258	64.45	4	3	0	0	10
1443	ClC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=CC=C(I)C=C4S3)=NC(C3=NC4=C(C=CC(Cl)=C4)S3)=N1)=N2	1.9035	2.1147	2.2683	673.8472606	666.317	0.19256263	-0.232623604	238.7550276	77.34	3	4	0	0	12
1444	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)SC2=C1	1.8897	2.1147	2.284	1017.576177	1011.576	0.192562633	-0.23262307	286.2372757	77.34	3	4	0	0	14
1445	BrC1=CC=C2SC(C3=NC(C4=NC5=C(C=CC=C5)O4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)=NC2=C1	1.9103	2.1143	2.2589	541.9619131	532.343	0.26572193	-0.433541018	207.9081706	90.48	3	4	0	0	10
1446	N#CC1=CC=C(N(C2=CC=C(C3=CC=C4C=C(Br)C=CC4=C3)C=C2)C2=CC=C(C3=CC=C4C=C(I)C=CC4=C3)C=C2)C=C1	1.9023	2.1138	2.2648	726.0167589	703.251	0.099111463	-0.310503731	272.6698502	27.03	7	0	0	0	4
1447	ClC1=CC=C(N(C2=CC=C(C3=CC=C4C=C(I)C=CC4=C3)C=C2)C2=CC=C(C3=CC=C4C=C(I)C=CC4=C3)C=C2)C=C1	1.8998	2.1135	2.2682	782.9686734	759.686	0.046214639	-0.310503465	277.6098851	3.24	7	0	0	0	4
1448	BrC1=CC=C2C=C(C3=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)C=CC2=C1	1.8956	2.1135	2.2701	1054.573991	1045.986	0.192479987	-0.232584379	292.9415459	64.45	4	3	0	0	12
1449	BrC1=CC=C(N(C2=CC=C(C3=CC=C4C=C(I)C=CC4=C3)C=C2)C2=CC=C(C3=CC=C4C=C(I)C=CC4=C3)C=C2)C=C1	1.8997	2.1134	2.268	826.9181579	804.137	0.046189142	-0.310503894	281.1741665	3.24	7	0	0	0	4
1450	ClC1=CC=C2SC(C3=NC(C4=CC=C5C=CC=CC5=C4)=NC(C4=NC5=C(C=CC(Br)=C5)S4)=N3)=NC2=C1	1.9177	2.1133	2.2458	584.9484272	573.823	0.192479984	-0.232583061	226.1974596	64.45	4	3	0	0	9
1451	IC1=CC=C2N=C(C3=NC(C4=CC=C5C=CC=CC5=C4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)SC2=C1	1.9073	2.1128	2.2561	598.9735354	585.37	0.192479981	-0.232624905	221.2884839	64.45	4	3	0	0	8
1452	ClC1=CC2=CC=C(C3=CC=C(N(C4=CC=C(I)C=C4)C4=CC=C(C5=NC6=C(C=CC=C6)O5)C=C4)C=C3)C=C2C=C1	1.8835	2.1125	2.295	648.046539	626.755	0.226807953	-0.436094686	250.3620243	29.27	6	1	0	0	5
1453	IC1=CC=C2N=C(C3=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)SC2=C1	1.8844	2.1122	2.2851	1109.511797	1103.027	0.192562633	-0.232623604	295.1958476	77.34	3	4	0	0	14
1454	ClC1=CC=C2SC(C3=NC(C4=NC5=C(C=CC(Br)=C5)S4)=NC(C4=NC5=C(C=CC(Br)=C5)S4)=N3)=NC2=C1	1.9121	2.112	2.2525	669.8106092	663.768	0.19256263	-0.232583051	236.9250185	77.34	3	4	0	0	12
1455	ClC1=CC=C2C=C(C3=NC(C4=CC=C5C=CC=CC5=C4)=NC(C4=NC5=C(C=C(Cl)C=C5)S4)=N3)C=CC2=C1	1.9107	2.1112	2.247	534.0472729	519.331	0.192397315	-0.232623089	225.773167	51.56	5	2	0	0	7
1456	ClC1=CC=C2C=C(C3=NC(C4=CC=C5C=C(Br)C=CC5=C4)=NC(C4=CC=C5C=CC=CC5=C4)=N3)C=CC2=C1	1.9137	2.1111	2.2406	571.0450874	553.741	0.163616487	-0.208166599	232.4774371	38.67	6	1	0	0	5
1457	ClC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=CC=C(I)C=C4S3)=NC(C3=CC=C4C=CC=CC4=C3)=N1)=N2	1.9073	2.1111	2.2527	632.9345631	620.823	0.192479984	-0.232623613	231.5917501	64.45	4	3	0	0	9
1458	ClC1=CC=C2C=C(C3=CC=C(N(C4=CC=CC=C4)C4=CC=C(C5=CC=C6C=C(I)C=CC6=C5)C=C4)C=C3)C=CC2=C1	1.8992	2.1109	2.2657	657.0720255	632.782	0.046153544	-0.310505217	258.348047	3.24	7	0	0	0	3
1459	BrC1=CC=C2SC(C3=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)=NC2=C1	1.9014	2.1108	2.2617	809.7323654	802.219	0.192562633	-0.232624896	251.2778809	77.34	3	4	0	0	12
1460	ClC1=CC=C2C=C(C3=NC(C4=CC=C5C=CC=CC5=C4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)C=CC2=C1	1.9126	2.1106	2.2435	500.0862452	483.878	0.192397308	-0.232624915	215.4699008	51.56	5	2	0	0	6
1461	IC1=CC=C2N=C(C3=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)SC2=C1	1.8911	2.1098	2.2716	857.7185013	849.219	0.192562633	-0.232624896	256.6721714	77.34	3	4	0	0	12
1462	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)SC2=C1	1.8946	2.1097	2.2678	765.782881	757.768	0.192562633	-0.232624896	247.7135995	77.34	3	4	0	0	12
1463	ClC1=CC2=CC=C(C3=CC=C(N(C4=CC=C(Br)C=C4)C4=CC=C(C5=CC=C6C=C(I)C=CC6=C5)C=C4)C=C3)C=C2C=C1	1.8988	2.1096	2.2624	734.9825375	712.686	0.046189142	-0.310503894	272.2155946	3.24	7	0	0	0	4
1464	IC1=CC=C2N=C(C3=NC(C4=NC5=C(C=CC=C5)O4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)SC2=C1	1.8962	2.1093	2.2648	589.948049	579.343	0.26572193	-0.433541018	213.3024611	90.48	3	4	0	0	10
1465	IC1=CC=C2C=C(C3=NC(C4=NC5=C(C=C(I)C=C5)S4)=NC(C4=NC5=C(C=CC=C5)O4)=N3)C=CC2=C1	1.8949	2.1091	2.2613	708.893027	696.206	0.265720471	-0.433541026	235.704288	77.59	4	3	0	0	9
1466	ClC1=CC=C(N(C2=CC=C(Br)C=C2)C2=CC=C(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.8839	2.1089	2.2962	574.044753	555.733	0.226864211	-0.43540916	232.5923041	29.27	6	1	0	0	5
1467	IC1=CC=C2C=C(C3=NC(C4=CC=C5C=CC=CC5=C4)=NC(C4=CC=C5C=CC=CC5=C4)=N3)C=CC2=C1	1.9132	2.1089	2.236	585.0701956	565.288	0.163616487	-0.208166599	227.5684614	38.67	6	1	0	0	4
1468	N#CC1=CC=C(N(C2=CC=C(C3=CC=C4C=CC=CC4=C3)C=C2)C2=CC=C(C3=CC=C4C=CC=CC4=C3)C=C2)C=C1	1.9088	2.1088	2.2481	522.2095988	496.443	0.099111463	-0.310503731	239.5404645	27.03	7	0	0	0	2
1469	BrC1=CC=C2C=C(C3=CC=C(N(C4=CC=CC=C4)C4=CC=C(C5=CC=C6C=CC=CC6=C5)C=C4)C=C3)C=CC2=C1	1.904	2.1087	2.2562	575.1248619	550.329	0.046153544	-0.310505217	242.6504903	3.24	7	0	0	0	2
1470	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(C=C(I)C=C5)S4)=NC(C4=NC5=C(C=CC=C5)O4)=N3)SC2=C1	1.8909	2.1085	2.2696	623.9090766	614.796	0.26572193	-0.433541018	223.6057274	90.48	3	4	0	0	11
1471	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(C=C(Cl)C=C5)S4)=NC(C4=NC5=C(C=CC=C5)O4)=N3)SC2=C1	1.8947	2.1085	2.2657	531.9734563	523.345	0.26572193	-0.433541018	214.6471555	90.48	3	4	0	0	11
1472	BrC1=CC=C2C=C(C3=NC(C4=NC5=C(C=CC=C5)O4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)C=CC2=C1	1.9052	2.1083	2.249	535.0102432	522.302	0.265720471	-0.433541026	211.0481594	77.59	4	3	0	0	8
1473	ClC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=NC(C3=CC4=CC=C(I)C=C4C=C3)=N1)=N2	1.8971	2.1083	2.2571	884.727859	874.631	0.192479987	-0.232584379	270.1154264	64.45	4	3	0	0	11
1474	IC1=CC=C(N(C2=CC=C(C3=CC=C4C=CC=CC4=C3)C=C2)C2=CC=C(C3=CC=C4C=C(I)C=CC4=C3)C=C2)C=C1	1.8989	2.1081	2.2581	749.0076458	724.233	0.04618418	-0.310503977	267.3066189	3.24	7	0	0	0	3
1475	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(C=C(I)C=C5)S4)=NC(C4=NC5=C(C=CC(Br)=C5)S4)=N3)C=CC2=C1	1.8998	2.1081	2.2554	710.8450752	700.727	0.192479982	-0.232623613	245.4592977	64.45	4	3	0	0	10
1476	BrC1=CC=C(N(C2=CC=C(C3=CC=C4C=CC=CC4=C3)C=C2)C2=CC=C(C3=CC=C4C=C(Br)C=CC4=C3)C=C2)C=C1	1.9056	2.1076	2.2505	653.035374	630.233	0.046189142	-0.310503894	256.5180379	3.24	7	0	0	0	3
1477	BrC1=CC=C2SC(C3=NC(C4=CC=C5C=CC=CC5=C4)=NC(C4=NC5=C(C=CC(Br)=C5)S4)=N3)=NC2=C1	1.9135	2.1074	2.2385	628.8979116	618.274	0.192479982	-0.232583061	229.761741	64.45	4	3	0	0	9
1478	N#CC1=CC=C(N(C2=CC=C(C3=CC=C4C=CC=CC4=C3)C=C2)C2=CC=C(C3=CC=C4C=C(Cl)C=CC4=C3)C=C2)C=C1	1.9029	2.107	2.2514	556.1706265	531.896	0.099111463	-0.310503731	249.8437307	27.03	7	0	0	0	3
1479	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(C=CC(Cl)=C5)S4)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)C=CC2=C1	1.8989	2.107	2.2532	792.7922387	783.18	0.192479987	-0.232584379	261.1568545	64.45	4	3	0	0	11
1480	C1=CC=C2OC(C3=NC(C4=NC5=C(C=CC=C5)S4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)=NC2=C1	1.9043	2.1065	2.2494	464.051401	452.439	0.26572193	-0.433541018	194.040623	90.48	3	4	0	0	9
1481	ClC1=CC=C(N(C2=CC=C(C3=CC=C4C=CC=CC4=C3)C=C2)C2=CC=C(C3=CC=C4C=C(I)C=CC4=C3)C=C2)C=C1	1.8999	2.1062	2.2538	657.0720255	632.782	0.046214639	-0.310503465	258.348047	3.24	7	0	0	0	3
1482	IC1=CC=C2N=C(C3=NC(C4=NC5=C(C=CC=C5)S4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)SC2=C1	1.8964	2.1057	2.2574	605.9252054	595.411	0.192562627	-0.232624896	218.1484952	77.34	3	4	0	0	10
1483	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(C=CC(Cl)=C5)S4)=NC(C4=NC5=C(C=CC(Cl)=C5)S4)=N3)C=CC2=C1	1.9069	2.1057	2.2422	574.9599704	564.825	0.192479984	-0.232569554	232.9364445	64.45	4	3	0	0	10
1484	ClC1=CC=C2SC(C3=NC(C4=NC5=C(C=CC(Cl)=C5)S4)=NC(C4=NC5=C(C=CC=C5)O4)=N3)=NC2=C1	1.9045	2.1054	2.2469	531.9734563	523.345	0.26572193	-0.433541018	214.6471555	90.48	3	4	0	0	11
1485	BrC1=CC=C2N=C(C3=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)SC2=C1	1.8908	2.1054	2.2634	809.7323654	802.219	0.192562633	-0.232624896	251.2778809	77.34	3	4	0	0	12
1486	C1=CC=C2C=C(C3=NC(C4=NC5=C(C=CC=C5)S4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)C=CC2=C1	1.9106	2.1054	2.2377	473.0768875	458.466	0.192479976	-0.232624905	202.0266458	64.45	4	3	0	0	7
1487	BrC1=CC=C(N(C2=CC=C(I)C=C2)C2=CC=C(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.8793	2.1049	2.2922	665.9803734	647.184	0.226864211	-0.43540916	241.550876	29.27	6	1	0	0	5
1488	BrC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=NC(C3=CC4=CC=C(I)C=C4C=C3)=N1)=N2	1.8938	2.1046	2.2536	928.6773435	919.082	0.192479987	-0.232584379	273.6797077	64.45	4	3	0	0	11
1489	IC1=CC=C2C=C(C3=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)C=CC2=C1	1.8941	2.1045	2.2528	850.7668314	839.178	0.192479987	-0.232624905	259.8121601	64.45	4	3	0	0	10
1490	BrC1=CC=C2N=C(C3=NC(C4=CC=C5C=CC=CC5=C4)=NC(C4=NC5=C(C=CC=C5)O4)=N3)SC2=C1	1.9012	2.1043	2.246	535.0102432	522.302	0.265720471	-0.433541026	211.0481594	77.59	4	3	0	0	8
1491	IC1=CC=C2N=C(C3=NC(C4=NC5=C(C=C(I)C=C5)S4)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)SC2=C1	1.8771	2.1024	2.2736	983.6151493	976.123	0.192562633	-0.232623604	275.9340095	77.34	3	4	0	0	13
1492	ClC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=C(C=CC=C4)O3)=NC(C3=CC4=CC=C(I)C=C4C=C3)=N1)=N2	1.8977	2.1024	2.2445	616.9574067	604.755	0.265720471	-0.433541026	226.7457161	77.59	4	3	0	0	9
1493	BrC1=CC=C2N=C(C3=NC(C4=CC=C5C=CC=CC5=C4)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)SC2=C1	1.8943	2.1012	2.2473	802.7806955	792.178	0.192479987	-0.232623526	254.4178696	64.45	4	3	0	0	10
1494	C1=CC=C2SC(C3=NC(C4=NC5=C(C=CC=C5)S4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)=NC2=C1	1.9022	2.1012	2.2418	480.0285574	468.507	0.192562622	-0.232624896	198.886657	77.34	3	4	0	0	9
1495	BrC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=CC=C(I)C=C4S3)=NC(C3=NC4=C(C=CC=C4)O3)=N1)=N2	1.8916	2.1009	2.2523	667.858561	659.247	0.26572193	-0.433541018	227.1700088	90.48	3	4	0	0	11
1496	ClC1=CC=C2SC(C3=NC(C4=NC5=C(C=CC(Cl)=C5)S4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)=NC2=C1	1.9023	2.1002	2.2396	547.9506127	539.413	0.19256263	-0.232624896	219.4931895	77.34	3	4	0	0	11
1497	IC1=CC=C2N=C(C3=NC(C4=CC=C5C=CC=CC5=C4)=NC(C4=NC5=C(C=C(I)C=C5)S4)=N3)SC2=C1	1.89	2.0999	2.2493	724.8701834	712.274	0.192479981	-0.232623613	240.550322	64.45	4	3	0	0	9
1498	IC1=CC=C2C=C(C3=NC(C4=NC5=C(C=CC=C5)O4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)C=CC2=C1	1.8956	2.0997	2.2414	582.9963791	569.302	0.265720471	-0.433541026	216.4424499	77.59	4	3	0	0	8
1499	BrC1=CC=C2N=C(C3=NC(C4=NC5=C(C=CC=C5)O4)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)SC2=C1	1.8843	2.0994	2.2578	793.755209	786.151	0.26572193	-0.433541018	246.4318469	90.48	3	4	0	0	12
1500	IC1=CC=C2C=C(C3=NC(C4=NC5=C(C=CC=C5)S4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)C=CC2=C1	1.8972	2.099	2.2387	598.9735354	585.37	0.192479976	-0.232624905	221.2884839	64.45	4	3	0	0	8
1501	ClC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=CC=C(Cl)C=C4S3)=NC(C3=NC4=C(C=CC=C4)O3)=N1)=N2	1.8932	2.0985	2.2464	531.9734563	523.345	0.26572193	-0.433541018	214.6471555	90.48	3	4	0	0	11
1502	IC1=CC=C(N(C2=CC=C(C3=CC=C4C=C(I)C=CC4=C3)C=C2)C2=CC=C(C3=NC4=C(C=CC=C4)O3)C=C2)C=C1	1.8712	2.0985	2.279	739.9821593	718.206	0.226807953	-0.436094686	259.3205962	29.27	6	1	0	0	5
1503	IC1=CC=C2C=C(C3=CC=C(N(C4=CC=CC=C4)C4=CC=C(C5=CC=C6C=CC=CC6=C5)C=C4)C=C3)C=CC2=C1	1.8936	2.0982	2.2455	623.1109978	597.329	0.046153544	-0.310505217	248.0447808	3.24	7	0	0	0	2
1504	ClC1=CC=C(N(C2=CC=C(I)C=C2)C2=CC=C(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.8742	2.0982	2.284	622.0308889	602.733	0.226864211	-0.43540916	237.9865946	29.27	6	1	0	0	5
1505	ClC1=CC=C2SC(C3=NC(C4=NC5=C(C=CC(Br)=C5)S4)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)=NC2=C1	1.8924	2.0981	2.246	843.693393	837.672	0.192562633	-0.23258437	261.5811471	77.34	3	4	0	0	13
1506	BrC1=CC=C2C=C(C3=NC(C4=NC5=C(C=CC=C5)O4)=NC(C4=NC5=C(C=CC=C5)O4)=N3)C=CC2=C1	1.8944	2.0978	2.2394	519.0330868	506.234	0.265721753	-0.433541019	206.2021254	90.73	4	3	0	0	8
1507	ClC1=CC=C(N(C2=CC=C(C3=CC=C4C=C(Cl)C=CC4=C3)C=C2)C2=CC=C(C3=CC=C4C=C(I)C=CC4=C3)C=C2)C=C1	1.891	2.0976	2.2463	691.0330531	668.235	0.046214639	-0.310503465	268.6513133	3.24	7	0	0	0	4
1508	N#CC1=CC=C(N(C2=CC=C(C3=CC=C4C=C(Cl)C=CC4=C3)C=C2)C2=CC=C(C3=CC=C4C=C(I)C=CC4=C3)C=C2)C=C1	1.89	2.0974	2.2454	682.0672744	658.8	0.099111463	-0.310503731	269.1055688	27.03	7	0	0	0	4
1509	ClC1=CC=C2SC(C3=NC(C4=NC5=C(C=CC(Br)=C5)S4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)=NC2=C1	1.9005	2.0973	2.2357	591.9000971	583.864	0.19256263	-0.232624896	223.0574709	77.34	3	4	0	0	11
1510	IC1=CC=C2N=C(C3=NC(C4=CC=C5C=CC=CC5=C4)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)SC2=C1	1.8886	2.0972	2.2448	850.7668314	839.178	0.192479987	-0.232623613	259.8121601	64.45	4	3	0	0	10
1511	IC1=CC=C2C=C(C3=NC(C4=CC=C5C=CC=CC5=C4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)C=CC2=C1	1.901	2.0967	2.2272	592.0218655	575.329	0.192397308	-0.232624915	224.4284726	51.56	5	2	0	0	6
1512	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(C=C(Cl)C=C5)S4)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)SC2=C1	1.8792	2.0962	2.2587	799.7439086	793.221	0.192562633	-0.23262307	258.0168657	77.34	3	4	0	0	13
1513	ClC1=CC2=C(C=C1)SC(C1=NC(C3=NC4=C(C=CC=C4)S3)=NC(C3=NC4=CC=C(I)C=C4S3)=N1)=N2	1.8891	2.0956	2.2455	639.886233	630.864	0.19256263	-0.232624896	228.4517614	77.34	3	4	0	0	11
1514	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(C=CC=C5)O4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)C=CC2=C1	1.8958	2.0956	2.2336	491.0607587	477.851	0.265720471	-0.433541026	207.483878	77.59	4	3	0	0	8
1515	C1=CC=C2C=C(C3=NC(C4=CC=C5C=CC=CC5=C4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)C=CC2=C1	1.9078	2.0955	2.2183	466.1252176	448.425	0.192397308	-0.232624915	205.1666345	51.56	5	2	0	0	5
1516	IC1=CC=C2N=C(C3=NC(C4=NC5=C(C=CC=C5)O4)=NC(C4=NC5=C(C=CC=C5)O4)=N3)SC2=C1	1.8844	2.0954	2.2488	573.9708926	563.275	0.265723212	-0.433541011	208.4564271	103.62	3	4	0	0	10
1517	IC1=CC=C(N(C2=CC=CC=C2)C2=CC=C(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.8706	2.0954	2.2838	588.0698613	567.28	0.226864211	-0.43540916	227.6833284	29.27	6	1	0	0	4
1518	ClC1=CC=C2C=C(C3=CC=C(N(C4=CC=CC=C4)C4=CC=C(C5=CC=C6C=CC=CC6=C5)C=C4)C=C3)C=CC2=C1	1.8933	2.0944	2.2388	531.1753775	505.878	0.046153544	-0.310505217	239.0862089	3.24	7	0	0	0	2
1519	BrC1=CC=C2SC(C3=NC(C4=NC5=C(C=CC(Br)=C5)S4)=NC(C4=NC5=C(C=CC=C5)O4)=N3)=NC2=C1	1.8967	2.0941	2.2325	619.8724251	612.247	0.26572193	-0.433541018	221.7757182	90.48	3	4	0	0	11
1520	BrC1=CC=C(N(C2=CC=C(C3=CC=C4C=CC=CC4=C3)C=C2)C2=CC=C(C3=CC=C4C=C(I)C=CC4=C3)C=C2)C=C1	1.8919	2.0941	2.2377	701.0215099	677.233	0.046189142	-0.310503894	261.9123284	3.24	7	0	0	0	3
1521	ClC1=CC=C2C=C(C3=NC(C4=CC=C5C=C(I)C=CC5=C4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)C=CC2=C1	1.8951	2.094	2.2282	625.9828932	610.782	0.192397308	-0.232624915	234.7317389	51.56	5	2	0	0	7
1522	BrC1=CC=C2SC(C3=NC(C4=NC5=C(C=CC=C5)O4)=NC(C4=NC5=C(C=CC=C5)O4)=N3)=NC2=C1	1.8932	2.0938	2.2355	525.9847567	516.275	0.265723212	-0.433541011	203.0621366	103.62	3	4	0	0	10
1523	ClC1=CC=C2SC(C3=NC(C4=NC5=C(C=CC(Cl)=C5)S4)=NC(C4=NC5=C(C=CC(Cl)=C5)S4)=N3)=NC2=C1	1.8967	2.0918	2.2288	581.9116403	574.866	0.19256263	-0.232569545	229.7964557	77.34	3	4	0	0	12
1524	BrC1=CC=C(N(C2=CC=C(C3=CC=C4C=CC=CC4=C3)C=C2)C2=CC=C(C3=CC=C4C=CC=CC4=C3)C=C2)C=C1	1.8962	2.0899	2.2247	575.1248619	550.329	0.046189142	-0.310503894	242.6504903	3.24	7	0	0	0	2
1525	ClC1=CC=C2SC(C3=NC(C4=NC5=C(C=CC(Cl)=C5)S4)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)=NC2=C1	1.8853	2.089	2.2353	799.7439086	793.221	0.192562633	-0.23258437	258.0168657	77.34	3	4	0	0	13
1526	ClC1=CC=C2SC(C3=NC(C4=NC5=C(C=CC=C5)O4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)=NC2=C1	1.8905	2.0878	2.2272	498.0124287	487.892	0.26572193	-0.433541018	204.3438893	90.48	3	4	0	0	10
1527	ClC1=CC2=CC=C(C3=CC=C(N(C4=CC=C(I)C=C4)C4=CC=C(C5=CC=C6C=C(Cl)C=CC6=C5)C=C4)C=C3)C=C2C=C1	1.8843	2.0878	2.2338	691.0330531	668.235	0.04618418	-0.310503977	268.6513133	3.24	7	0	0	0	4
1528	ClC1=CC=C(N(C2=CC=C(C3=CC=C4C=CC=CC4=C3)C=C2)C2=CC=C(C3=CC=C4C=C(Cl)C=CC4=C3)C=C2)C=C1	1.89	2.0876	2.2276	565.1364052	541.331	0.046214639	-0.310503465	249.3894751	3.24	7	0	0	0	3
1529	BrC1=CC=C2SC(C3=NC(C4=NC5=C(C=CC=C5)O4)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)=NC2=C1	1.8822	2.0875	2.2345	793.755209	786.151	0.26572193	-0.433541018	246.4318469	90.48	3	4	0	0	12
1530	C1=CC=C2C=C(C3=NC(C4=NC5=C(C=CC=C5)O4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)C=CC2=C1	1.8951	2.0871	2.2173	457.0997311	442.398	0.265720471	-0.433541026	197.1806118	77.59	4	3	0	0	7
1531	ClC1=CC=C2SC(C3=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)=NC2=C1	1.8754	2.0871	2.2424	1017.576177	1011.576	0.192562633	-0.23258437	286.2372757	77.34	3	4	0	0	14
1532	ClC1=CC=C2C=C(C3=NC(C4=CC=C5C=CC=CC5=C4)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)C=CC2=C1	1.8873	2.0861	2.2211	751.8795412	737.686	0.192397318	-0.232584389	253.993577	51.56	5	2	0	0	8
1533	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(C=CC=C5)O4)=NC(C4=NC5=C(C=CC=C5)O4)=N3)C=CC2=C1	1.8867	2.0861	2.2242	475.0836024	461.783	0.265721753	-0.433541019	202.637844	90.73	4	3	0	0	8
1534	BrC1=CC=C2C=C(C3=NC(C4=NC5=C(C=CC=C5)O4)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)C=CC2=C1	1.8795	2.0856	2.2311	786.8035391	776.11	0.265720471	-0.433541026	249.5718356	77.59	4	3	0	0	10
1535	ClC1=CC=C2C=C(C3=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)C=CC2=C1	1.8761	2.0855	2.2347	1010.624507	1001.535	0.192479987	-0.232584379	289.3772645	64.45	4	3	0	0	12
1536	ClC1=CC=C2C=C(C3=NC(C4=CC=C5C=CC=CC5=C4)=NC(C4=NC5=C(C=CC=C5)O4)=N3)C=CC2=C1	1.8922	2.0853	2.2142	484.1090888	467.81	0.265719011	-0.433541033	210.6238667	64.7	5	2	0	0	6
1537	ClC1=CC=C2SC(C3=NC(C4=CC=C5C=CC=CC5=C4)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)=NC2=C1	1.8884	2.085	2.2201	758.8312111	747.727	0.192479987	-0.232584379	250.8535882	64.45	4	3	0	0	10
1538	ClC1=CC=C2N=C(C3=NC(C4=NC5=C(C=CC=C5)O4)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)SC2=C1	1.8741	2.0843	2.2381	749.8057246	741.7	0.26572193	-0.433541018	242.8675655	90.48	3	4	0	0	12
1539	ClC1=CC=C2SC(C3=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)=NC2=C1	1.8807	2.0832	2.2285	765.782881	757.768	0.192562633	-0.232624896	247.7135995	77.34	3	4	0	0	12
1540	IC1=CC=C2C=C(C3=NC(C4=NC5=C(C=CC=C5)O4)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)C=CC2=C1	1.8745	2.0829	2.2303	834.789675	823.11	0.265720471	-0.433541026	254.9661261	77.59	4	3	0	0	10
1541	IC1=CC=C(N(C2=CC=C(I)C=C2)C2=CC=C(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.8614	2.0826	2.265	713.9665093	694.184	0.226864211	-0.43540916	246.9451665	29.27	6	1	0	0	5
1542	N#CC1=CC=C(N(C2=CC=C(C#N)C=C2)C2=CC=C(C3=NC4=C(C=CC=C4)S3)C=C2)C=C1	1.8715	2.0825	2.2483	428.1095675	412.392	0.124105151	-0.310502948	189.4192388	63.71	4	1	0	0	5
1543	IC1=CC2=C(C=C1I)SC(C1=NC(C3=CC=C4C=CC=CC4=C3)=NC(C3=NC4=C(C=CC=C4)S3)=N1)=N2	1.8848	2.0819	2.2176	724.8701834	712.274	0.192479987	-0.232624905	240.550322	64.45	4	3	0	0	9
1544	ClC1=CC=C(N(C2=CC=C(Cl)C=C2)C2=CC=C(C3=NC4=C(O3)C3=CC=CC=C3C3=C4C=CC=C3)C=C2)C=C1	1.864	2.0816	2.2619	530.0952686	511.282	0.226864211	-0.43540916	229.0280227	29.27	6	1	0	0	5
1545	IC1=CC2=C(C=C1I)SC(C1=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=NC(C3=NC4=C(C=CC=C4)S3)=N1)=N2	1.8707	2.0809	2.2345	983.6151493	976.123	0.192562633	-0.232624896	275.9340095	77.34	3	4	0	0	13
1546	N#CC1=CC=C(N(C2=CC=CC=C2)C2=CC=C(C3=NC4=C(C=CC=C4)S3)C=C2)C=C1	1.8684	2.0808	2.2545	403.1143185	386.374	0.124105151	-0.310504434	178.661717	39.92	4	1	0	0	4
1547	C1=CC=C2C=C(C3=NC(C4=CC=C5C=CC=CC5=C4)=NC(C4=NC5=C(C=CC=C5)O4)=N3)C=CC2=C1	1.8932	2.0807	2.2041	450.1480612	432.357	0.265719011	-0.433541033	200.3206005	64.7	5	2	0	0	5
1548	ClC1=CC=C(N(C2=CC=C(C3=CC=C4C=CC=CC4=C3)C=C2)C2=CC=C(C3=CC=C4C=CC=CC4=C3)C=C2)C=C1	1.8895	2.0807	2.2134	531.1753775	505.878	0.046214639	-0.310503465	239.0862089	3.24	7	0	0	0	2
1549	IC1=CC2=C(C=C1I)SC(C1=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=N1)=N2	1.8613	2.0789	2.2419	1235.408445	1229.931	0.192562633	-0.23258437	314.4576858	77.34	3	4	0	0	15
1550	IC1=CC=C2C=C(C3=NC(C4=NC5=C(C=CC=C5)O4)=NC(C4=NC5=C(C=CC=C5)O4)=N3)C=CC2=C1	1.8768	2.0786	2.219	567.0192227	553.234	0.265721753	-0.433541019	211.5964159	90.73	4	3	0	0	8
1551	C1=CC=C2OC(C3=NC(C4=NC5=C(C=CC=C5)O4)=NC(C4=NC5=C(C=CC=C5)S4)=N3)=NC2=C1	1.8807	2.0783	2.2178	448.0742446	436.371	0.265723212	-0.433541011	189.194589	103.62	3	4	0	0	9
1552	ClC1=CC=C2SC(C3=NC(C4=CC=C5C=CC=CC5=C4)=NC(C4=NC5=C(C=CC=C5)O4)=N3)=NC2=C1	1.8857	2.0754	2.2041	491.0607587	477.851	0.265720471	-0.433541026	207.483878	77.59	4	3	0	0	8
1553	N#CC1=CC=C(N(C2=CC=C(Cl)C=C2)C2=CC=C(C3=NC4=C(C=CC=C4)S3)C=C2)C=C1	1.8684	2.0753	2.2396	437.0753462	421.827	0.124105151	-0.310502682	188.9649832	39.92	4	1	0	0	5
1554	IC1=CC2=C(C=C1I)SC(C1=NC(C3=NC4=C(C=CC=C4)O3)=NC(C3=NC4=C(C=CC=C4)S3)=N1)=N2	1.8704	2.0728	2.2181	715.8446969	706.247	0.26572193	-0.433541018	232.5642993	90.48	3	4	0	0	11
1555	IC1=CC2=C(C=C1I)SC(C1=NC(C3=CC=C4C=CC=CC4=C3)=NC(C3=NC4=C(C=C(I)C(I)=C4)S3)=N1)=N2	1.871	2.0725	2.2136	976.6634794	966.082	0.192479987	-0.232584379	279.0739983	64.45	4	3	0	0	11
1556	IC1=CC2=C(C=C1I)SC(C1=NC(C3=CC=C4C=CC=CC4=C3)=NC(C3=NC4=C(C=CC=C4)O3)=N1)=N2	1.8742	2.0714	2.2076	708.893027	696.206	0.265720471	-0.433541026	235.704288	77.59	4	3	0	0	9
1557	N#CC1=CC=C(N(C2=CC=C(Br)C=C2)C2=CC=C(C3=NC4=C(C=CC=C4)S3)C=C2)C=C1	1.8635	2.0689	2.2321	481.0248306	466.278	0.124105151	-0.310503111	192.5292646	39.92	4	1	0	0	5
1558	BrC1=CC=C(N(C2=CC=C(Br)C=C2)C2=CC=C(C3=NC4=C(C=CC=C4)S3)C=C2)C=C1	1.8622	2.062	2.2208	533.9400937	520.164	0.124105151	-0.310503274	195.6392904	16.13	4	1	0	0	5
1559	BrC1=CC=C2SC(C3=NC(C4=CC=C5C=CC=CC5=C4)=NC(C4=NC5=C(C=C(I)C(I)=C5)S4)=N3)=NC2=C1	1.8712	2.0616	2.1918	802.7806955	792.178	0.192479987	-0.232584379	254.4178696	64.45	4	3	0	0	10
1560	IC1=CC=C(N(C2=CC=C(C3=CC=C4C=CC=CC4=C3)C=C2)C2=CC=C(C3=CC=C4C=CC=CC4=C3)C=C2)C=C1	1.8725	2.0609	2.1913	623.1109978	597.329	0.04618418	-0.310503977	248.0447808	3.24	7	0	0	0	2
1561	ClC1=CC=C(N(C2=CC=C(Br)C=C2)C2=CC=C(C3=NC4=C(C=CC=C4)S3)C=C2)C=C1	1.8596	2.0591	2.2177	489.9906093	475.713	0.124105151	-0.310502845	192.075009	16.13	4	1	0	0	5
1562	N#CC1=CC=C(N(C2=CC=C(C#N)C=C2)C2=CC=C(C3=NC4=C(C=CC=C4)O3)C=C2)C=C1	1.8538	2.0554	2.2092	412.1324111	396.324	0.226807953	-0.436094686	184.5732048	76.85	4	1	0	0	5
1563	BrC1=CC=C(N(C2=CC=C(I)C=C2)C2=CC=C(C3=NC4=C(C=CC=C4)S3)C=C2)C=C1	1.8519	2.0515	2.2096	581.9262296	567.164	0.124105151	-0.310503357	201.0335809	16.13	4	1	0	0	5
1564	N#CC1=CC=C(N(C2=CC=CC=C2)C2=CC=C(C3=NC4=C(C=CC=C4)O3)C=C2)C=C1	1.8497	2.0492	2.2051	387.1371622	370.306	0.226807953	-0.436094686	173.815683	53.06	4	1	0	0	4
1565	N#CC1=CC=C(N(C2=CC=C(C#N)C=C2)C2=CC=C(C3=CC=C4C=C(Br)C=CC4=C3)C=C2)C=C1	1.8689	2.0491	2.1723	499.0684097	482.255	0.099111463	-0.310502971	206.4267751	50.82	5	0	0	0	4
1566	N#CC1=CC=C(N(C2=CC=C(C#N)C=C2)C2=CC=C(C3=CC=C4C=C(Cl)C=CC4=C3)C=C2)C=C1	1.8652	2.0434	2.165	455.1189253	437.804	0.099111463	-0.310502971	202.8624938	50.82	5	0	0	0	4
1567	N#CC1=CC=C(N(C2=CC=C(I)C=C2)C2=CC=C(C3=NC4=C(C=CC=C4)S3)C=C2)C=C1	1.8388	2.0381	2.1951	529.0109665	513.278	0.124105151	-0.310503194	197.9235551	39.92	4	1	0	0	5
1568	C1=CC=C(N(C2=CC=CC=C2)C2=CC=C(C3=NC4=C(C=CC=C4)S3)C=C2)C=C1	1.8396	2.0364	2.1971	378.1190696	360.356	0.124105151	-0.310505921	167.9041952	16.13	4	1	0	0	3
1569	ClC1=CC=C(N(C2=CC=C(Cl)C=C2)C2=CC=C(C3=NC4=C(C=CC=C4)S3)C=C2)C=C1	1.8408	2.0335	2.186	446.0411249	431.262	0.124105151	-0.310502416	188.5107276	16.13	4	1	0	0	5
1570	N#CC1=CC=C(N(C2=CC=C(Br)C=C2)C2=CC=C(C3=NC4=C(C=CC=C4)O3)C=C2)C=C1	1.8395	2.0318	2.1787	465.0476742	450.21	0.226807953	-0.436094686	187.6832306	53.06	4	1	0	0	5
1571	IC1=CC=C(N(C2=CC=C(I)C=C2)C2=CC=C(C3=NC4=C(C=CC=C4)S3)C=C2)C=C1	1.8305	2.0251	2.1779	629.9123655	614.164	0.124105151	-0.310503441	206.4278714	16.13	4	1	0	0	5
1572	ClC1=CC=C(N(C2=CC=C(I)C=C2)C2=CC=C(C3=NC4=C(C=CC=C4)S3)C=C2)C=C1	1.8314	2.0234	2.1744	537.9767452	522.713	0.124105151	-0.310502928	197.4692995	16.13	4	1	0	0	5
1573	IC1=CC=C(N(C2=CC=CC=C2)C2=CC=C(C3=NC4=C(C=CC=C4)S3)C=C2)C=C1	1.8289	2.0224	2.1772	504.0157175	487.26	0.124105151	-0.310504681	187.1660333	16.13	4	1	0	0	4
1574	ClC1=CC=C(N(C2=CC=CC=C2)C2=CC=C(C3=NC4=C(C=CC=C4)S3)C=C2)C=C1	1.8307	2.0221	2.1756	412.0800972	395.809	0.124105151	-0.310504168	178.2074614	16.13	4	1	0	0	4
1575	N#CC1=CC=C(N(C2=CC=C(Cl)C=C2)C2=CC=C(C3=CC=C4C=C(Br)C=CC4=C3)C=C2)C=C1	1.8532	2.0219	2.1353	508.0341884	491.69	0.099111463	-0.310502705	205.9725196	27.03	5	0	0	0	4
1576	N#CC1=CC=C(N(C2=CC=C(Br)C=C2)C2=CC=C(C3=CC=C4C=C(Br)C=CC4=C3)C=C2)C=C1	1.8523	2.0207	2.1338	551.9836728	536.141	0.099111463	-0.310503134	209.5368009	27.03	5	0	0	0	4
1577	N#CC1=CC=C(N(C2=CC=C(C#N)C=C2)C2=CC=C(C3=CC=C4C=CC=CC4=C3)C=C2)C=C1	1.8498	2.0185	2.1322	421.1578976	402.351	0.099111463	-0.310502971	192.5592275	50.82	5	0	0	0	3
1578	N#CC1=CC=C(N(C2=CC=CC=C2)C2=CC=C(C3=CC=C4C=C(Br)C=CC4=C3)C=C2)C=C1	1.8496	2.0175	2.1309	474.0731607	456.237	0.099111463	-0.310504457	195.6692533	27.03	5	0	0	0	3
1579	N#CC1=CC=C(N(C2=CC=C(I)C=C2)C2=CC=C(C3=NC4=C(C=CC=C4)O3)C=C2)C=C1	1.8264	2.0165	2.1607	513.0338101	497.21	0.226807953	-0.436094686	193.0775211	53.06	4	1	0	0	5
1580	N#CC1=CC=C(N(C2=CC=CC=C2)C2=CC=C(C3=CC=C4C=C(I)C=CC4=C3)C=C2)C=C1	1.8429	2.0133	2.1286	522.0592966	503.237	0.099111463	-0.310504457	201.0635439	27.03	5	0	0	0	3
1581	N#CC1=CC=C(N(C2=CC=C(Br)C=C2)C2=CC=C(C3=CC=C4C=C(Cl)C=CC4=C3)C=C2)C=C1	1.8462	2.0119	2.1228	508.0341884	491.69	0.099111463	-0.310503134	205.9725196	27.03	5	0	0	0	4
1582	N#CC1=CC=C(N(C2=CC=C(Cl)C=C2)C2=CC=C(C3=NC4=C(C=CC=C4)O3)C=C2)C=C1	1.8241	2.0102	2.1512	421.0981898	405.759	0.226807953	-0.436094686	184.1189492	53.06	4	1	0	0	5
1583	N#CC1=CC=C(N(C2=CC=C(Br)C=C2)C2=CC=C(C3=CC=C4C=C(I)C=CC4=C3)C=C2)C=C1	1.8414	2.01	2.1231	599.9698087	583.141	0.099111463	-0.310503134	214.9310915	27.03	5	0	0	0	4
1584	ClC1=CC=C(N(C2=CC=C(Br)C=C2)C2=CC=C(C3=NC4=C(C=CC=C4)O3)C=C2)C=C1	1.8278	2.0094	2.1462	474.0134529	459.645	0.226807953	-0.436094686	187.228975	29.27	4	1	0	0	5
1585	BrC1=CC=C(N(C2=CC=C(Br)C=C2)C2=CC=C(C3=NC4=C(C=CC=C4)O3)C=C2)C=C1	1.8273	2.0084	2.1448	517.9629373	504.096	0.226807953	-0.436094686	190.7932564	29.27	4	1	0	0	5
1586	N#CC1=CC=C(N(C2=CC=C(I)C=C2)C2=CC=C(C3=CC=C4C=C(Br)C=CC4=C3)C=C2)C=C1	1.8407	2.008	2.1199	599.9698087	583.141	0.099111463	-0.310503217	214.9310915	27.03	5	0	0	0	4
1587	BrC1=CC=C(N(C2=CC=C(Br)C=C2)C2=CC=C(C3=CC=C4C=C(Br)C=CC4=C3)C=C2)C=C1	1.8456	2.0069	2.114	604.8989359	590.027	0.046189147	-0.310503297	212.6468268	3.24	5	0	0	0	4
1588	ClC1=CC2=CC=C(C3=CC=C(N(C4=CC=C(Br)C=C4)C4=CC=C(Br)C=C4)C=C3)C=C2C=C1	1.8454	2.0054	2.1113	560.9494515	545.576	0.046189147	-0.310503297	209.0825454	3.24	5	0	0	0	4
1589	N#CC1=CC=C(N(C2=CC=C(Cl)C=C2)C2=CC=C(C3=CC=C4C=C(I)C=CC4=C3)C=C2)C=C1	1.836	2.0036	2.1161	556.0203243	538.69	0.099111463	-0.310502705	211.3668101	27.03	5	0	0	0	4
1590	ClC1=CC=C(N(C2=CC=C(Br)C=C2)C2=CC=C(C3=CC=C4C=C(Br)C=CC4=C3)C=C2)C=C1	1.8428	2.003	2.1092	560.9494515	545.576	0.046214644	-0.310502868	209.0825454	3.24	5	0	0	0	4
1591	N#CC1=CC=C(N(C2=CC=C(I)C=C2)C2=CC=C(C3=CC=C4C=C(I)C=CC4=C3)C=C2)C=C1	1.834	2.0029	2.1158	647.9559446	630.141	0.099111463	-0.310503217	220.325382	27.03	5	0	0	0	4
1592	C1=CC=C(N(C2=CC=CC=C2)C2=CC=C(C3=NC4=C(C=CC=C4)O3)C=C2)C=C1	1.8205	2.002	2.1413	362.1419132	344.288	0.226807953	-0.436094686	163.0581612	29.27	4	1	0	0	3
1593	N#CC1=CC=C(N(C2=CC=C(Br)C=C2)C2=CC=C(C3=CC=C4C=CC=CC4=C3)C=C2)C=C1	1.8434	2.0015	2.1051	474.0731607	456.237	0.099111463	-0.310503134	195.6692533	27.03	5	0	0	0	3
1594	ClC1=CC=C(N(C2=CC=CC=C2)C2=CC=C(C3=NC4=C(C=CC=C4)O3)C=C2)C=C1	1.8208	2.0013	2.1385	396.1029408	379.741	0.226807953	-0.436094686	173.3614274	29.27	4	1	0	0	4
1595	ClC1=CC=C(N(C2=CC=C(Cl)C=C2)C2=CC=C(C3=NC4=C(C=CC=C4)O3)C=C2)C=C1	1.8215	2.0011	2.1363	430.0639685	415.194	0.226807953	-0.436094686	183.6646936	29.27	4	1	0	0	5
1596	BrC1=CC=C2C=C(C3=CC=C(N(C4=CC=CC=C4)C4=CC=CC=C4)C=C3)C=CC2=C1	1.8417	2.0004	2.1062	449.0779117	430.219	0.046153538	-0.310505944	184.9117315	3.24	5	0	0	0	2
1597	N#CC1=CC=C(N(C2=CC=C(Cl)C=C2)C2=CC=C(C3=CC=C4C=C(Cl)C=CC4=C3)C=C2)C=C1	1.8374	2.0003	2.1089	464.0847039	447.239	0.099111463	-0.310502705	202.4082382	27.03	5	0	0	0	4
1598	BrC1=CC=C(N(C2=CC=CC=C2)C2=CC=C(C3=NC4=C(C=CC=C4)O3)C=C2)C=C1	1.8192	1.9991	2.1359	440.0524253	424.192	0.226807953	-0.436094686	176.9257088	29.27	4	1	0	0	4
1599	BrC1=CC2=CC=C(C3=CC=C(N(C4=CC=CC=C4)C4=CC=C(I)C=C4)C=C3)C=C2C=C1	1.8362	1.9966	2.103	574.9745597	557.123	0.046184173	-0.310504704	204.1735697	3.24	5	0	0	0	3
1600	N#CC1=CC=C(N(C2=CC=CC=C2)C2=CC=C(C3=CC=C4C=C(Cl)C=CC4=C3)C=C2)C=C1	1.833	1.9945	2.1028	430.1236763	411.786	0.099111463	-0.310504457	192.104972	27.03	5	0	0	0	3
1601	ClC1=CC=C(N(C2=CC=C(Cl)C=C2)C2=CC=C(C3=CC=C4C=C(Br)C=CC4=C3)C=C2)C=C1	1.8359	1.9941	2.0987	516.999967	501.125	0.046214648	-0.310502439	205.518264	3.24	5	0	0	0	4
1602	BrC1=CC=C(N(C2=CC=C(I)C=C2)C2=CC=C(C3=NC4=C(C=CC=C4)O3)C=C2)C=C1	1.8139	1.9939	2.1288	565.9490732	551.096	0.226807953	-0.436094686	196.1875469	29.27	4	1	0	0	5
1603	BrC1=CC=C(N(C2=CC=C(Br)C=C2)C2=CC=C(C3=CC=C4C=C(I)C=CC4=C3)C=C2)C=C1	1.8278	1.9879	2.0943	652.8850718	637.027	0.046189147	-0.310503297	218.0411173	3.24	5	0	0	0	4
1604	ClC1=CC=C(N(C2=CC=C(Br)C=C2)C2=CC=C(C3=CC=C4C=C(I)C=CC4=C3)C=C2)C=C1	1.8281	1.9879	2.0938	608.9355874	592.576	0.046214644	-0.310502868	214.4768359	3.24	5	0	0	0	4
1605	BrC1=CC=C(N(C2=CC=CC=C2)C2=CC=C(C3=CC=C4C=C(Br)C=CC4=C3)C=C2)C=C1	1.8311	1.9866	2.0894	526.9884238	510.123	0.046189135	-0.31050462	198.7792792	3.24	5	0	0	0	3
1606	ClC1=CC2=CC=C(C3=CC=C(N(C4=CC=C(Br)C=C4)C4=CC=C(I)C=C4)C=C3)C=C2C=C1	1.8278	1.985	2.0884	608.9355874	592.576	0.046189146	-0.31050338	214.4768359	3.24	5	0	0	0	4
1607	BrC1=CC=C(N(C2=CC=CC=C2)C2=CC=C(C3=CC=C4C=C(I)C=CC4=C3)C=C2)C=C1	1.8261	1.9847	2.09	574.9745597	557.123	0.046189135	-0.31050462	204.1735697	3.24	5	0	0	0	3
1608	N#CC1=CC=C(N(C2=CC=C(I)C=C2)C2=CC=C(C3=CC=C4C=CC=CC4=C3)C=C2)C=C1	1.8273	1.9832	2.0848	522.0592966	503.237	0.099111463	-0.310503217	201.0635439	27.03	5	0	0	0	3
1609	ClC1=CC=C(N(C2=CC=C(Cl)C=C2)C2=CC=C(C3=CC=C4C=C(Cl)C=CC4=C3)C=C2)C=C1	1.8275	1.9821	2.0838	473.0504826	456.674	0.046214648	-0.310502439	201.9539826	3.24	5	0	0	0	4
1610	ClC1=CC2=CC=C(C3=CC=C(N(C4=CC=CC=C4)C4=CC=C(Br)C=C4)C=C3)C=C2C=C1	1.8283	1.9818	2.083	483.0389394	465.672	0.046189135	-0.31050462	195.2149978	3.24	5	0	0	0	3
1611	ClC1=CC=C(N(C2=CC=C(I)C=C2)C2=CC=C(C3=CC=C4C=C(Cl)C=CC4=C3)C=C2)C=C1	1.8246	1.9815	2.0848	564.9861029	548.125	0.046214643	-0.310502951	210.9125545	3.24	5	0	0	0	4
1612	BrC1=CC=C(N(C2=CC=C(I)C=C2)C2=CC=C(C3=CC=C4C=C(Br)C=CC4=C3)C=C2)C=C1	1.8232	1.9807	2.0848	652.8850718	637.027	0.046189146	-0.31050338	218.0411173	3.24	5	0	0	0	4
1613	IC1=CC=C(N(C2=CC=CC=C2)C2=CC=C(C3=NC4=C(C=CC=C4)O3)C=C2)C=C1	1.8028	1.9807	2.1152	488.0385612	471.192	0.226807953	-0.436094686	182.3199993	29.27	4	1	0	0	4
1614	ClC1=CC=C(N(C2=CC=C(Br)C=C2)C2=CC=C(C3=CC=C4C=C(Cl)C=CC4=C3)C=C2)C=C1	1.8257	1.9798	2.0812	516.999967	501.125	0.046214644	-0.310502868	205.518264	3.24	5	0	0	0	4
1615	IC1=CC=C(N(C2=CC=C(I)C=C2)C2=CC=C(C3=NC4=C(C=CC=C4)O3)C=C2)C=C1	1.8001	1.9783	2.1112	613.9352091	598.096	0.226807953	-0.436094686	201.5818374	29.27	4	1	0	0	5
1616	N#CC1=CC=C(N(C2=CC=C(Cl)C=C2)C2=CC=C(C3=CC=C4C=CC=CC4=C3)C=C2)C=C1	1.8243	1.9777	2.0781	430.1236763	411.786	0.099111463	-0.310502705	192.104972	27.03	5	0	0	0	3
1617	ClC1=CC=C(N(C2=CC=C(I)C=C2)C2=CC=C(C3=CC=C4C=C(Br)C=CC4=C3)C=C2)C=C1	1.8202	1.9768	2.0801	608.9355874	592.576	0.046214643	-0.310502951	214.4768359	3.24	5	0	0	0	4
1618	ClC1=CC=C(N(C2=CC=CC=C2)C2=CC=C(C3=CC=C4C=C(I)C=CC4=C3)C=C2)C=C1	1.8172	1.9732	2.0765	531.0250753	512.672	0.046214632	-0.310504191	200.6092883	3.24	5	0	0	0	3
1619	IC1=CC=C2C=C(C3=CC=C(N(C4=CC=CC=C4)C4=CC=CC=C4)C=C3)C=CC2=C1	1.8171	1.9732	2.077	497.0640476	477.219	0.046153538	-0.310505944	190.3060221	3.24	5	0	0	0	2
1620	IC1=CC=C(N(C2=CC=CC=C2)C2=CC=C(C3=CC=C4C=C(I)C=CC4=C3)C=C2)C=C1	1.8144	1.9725	2.0773	622.9606956	604.123	0.046184173	-0.310504704	209.5678602	3.24	5	0	0	0	3
1621	ClC1=CC=C2C=C(C3=CC=C(N(C4=CC=CC=C4)C4=CC=CC=C4)C=C3)C=CC2=C1	1.82	1.9714	2.0714	405.1284273	385.768	0.046153538	-0.310505944	181.3474502	3.24	5	0	0	0	2
1622	BrC1=CC=C(N(C2=CC=C(Br)C=C2)C2=CC=C(C3=CC=C4C=CC=CC4=C3)C=C2)C=C1	1.8226	1.9694	2.0639	526.9884238	510.123	0.046189147	-0.310503297	198.7792792	3.24	5	0	0	0	3
1623	BrC1=CC=C(N(C2=CC=C(I)C=C2)C2=CC=C(C3=CC=C4C=C(I)C=CC4=C3)C=C2)C=C1	1.8111	1.9688	2.0729	700.8712077	684.027	0.046189146	-0.31050338	223.4354078	3.24	5	0	0	0	4
1624	BrC1=CC=C(N(C2=CC=CC=C2)C2=CC=C(C3=CC=C4C=CC=CC4=C3)C=C2)C=C1	1.821	1.967	2.0613	449.0779117	430.219	0.046189135	-0.31050462	184.9117315	3.24	5	0	0	0	2
1625	BrC1=CC=C(N(C2=CC=C(I)C=C2)C2=CC=C(C3=CC=C4C=CC=CC4=C3)C=C2)C=C1	1.8187	1.9665	2.0612	574.9745597	557.123	0.046189146	-0.31050338	204.1735697	3.24	5	0	0	0	3
1626	ClC1=CC2=CC=C(C3=CC=C(N(C4=CC=CC=C4)C4=CC=C(I)C=C4)C=C3)C=C2C=C1	1.8114	1.964	2.0645	531.0250753	512.672	0.046184173	-0.310504704	200.6092883	3.24	5	0	0	0	3
1627	ClC1=CC2=CC=C(C3=CC=C(N(C4=CC=C(I)C=C4)C4=CC=C(I)C=C4)C=C3)C=C2C=C1	1.8066	1.961	2.0623	656.9217233	639.576	0.046184184	-0.310503464	219.8711264	3.24	5	0	0	0	4
1628	ClC1=CC=C(N(C2=CC=CC=C2)C2=CC=C(C3=CC=C4C=C(Cl)C=CC4=C3)C=C2)C=C1	1.8101	1.9585	2.0558	439.089455	421.221	0.046214632	-0.310504191	191.6507164	3.24	5	0	0	0	3
1629	ClC1=CC=C(N(C2=CC=C(Cl)C=C2)C2=CC=C(C3=CC=C4C=CC=CC4=C3)C=C2)C=C1	1.8117	1.9552	2.0472	439.089455	421.221	0.046214648	-0.310502439	191.6507164	3.24	5	0	0	0	3
1630	IC1=CC=C(N(C2=CC=CC=C2)C2=CC=C(C3=CC=C4C=CC=CC4=C3)C=C2)C=C1	1.8085	1.9539	2.0475	497.0640476	477.219	0.046184173	-0.310504704	190.3060221	3.24	5	0	0	0	2
1631	ClC1=CC=C(N(C2=CC=C(Cl)C=C2)C2=CC=C(C3=CC=C4C=C(I)C=CC4=C3)C=C2)C=C1	1.8007	1.9528	2.053	564.9861029	548.125	0.046214648	-0.310502439	210.9125545	3.24	5	0	0	0	4
1632	ClC1=CC=C(N(C2=CC=CC=C2)C2=CC=C(C3=CC=C4C=CC=CC4=C3)C=C2)C=C1	1.8101	1.9526	2.0441	405.1284273	385.768	0.046214632	-0.310504191	181.3474502	3.24	5	0	0	0	2
1633	C1=CC=C(N(C2=CC=CC=C2)C2=CC=C(C3=CC=C4C=CC=CC4=C3)C=C2)C=C1	1.8092	1.9502	2.0408	371.1673997	350.315	0.046153538	-0.310505944	171.0441839	3.24	5	0	0	0	1
1634	IC1=CC=C(N(C2=CC=C(I)C=C2)C2=CC=C(C3=CC=C4C=CC=CC4=C3)C=C2)C=C1	1.8005	1.9469	2.0407	622.9606956	604.123	0.046184184	-0.310503464	209.5678602	3.24	5	0	0	0	3
1635	N#CC1=CC=C(N(C2=CC=C(Br)C=C2)C2=CC=C(C#N)C=C2)C=C1	1.7642	1.8879	1.9671	373.0214595	362.145	0.099111463	-0.310502374	148.6880164	50.82	3	0	0	0	4
1636	N#CC1=CC=C(N(C2=CC=CC=C2)C2=CC=C(C#N)C=C2)C=C1	1.7563	1.8776	1.9558	295.1109474	282.241	0.099111463	-0.310503697	134.8204688	50.82	3	0	0	0	3
1637	N#CC1=CC=C(N(C2=CC=C(Cl)C=C2)C2=CC=C(C#N)C=C2)C=C1	1.7548	1.8762	1.9538	329.0719751	317.694	0.099111463	-0.310501945	145.123735	50.82	3	0	0	0	4
1638	N#CC1=CC=C(N(C2=CC=C(I)C=C2)C2=CC=C(C#N)C=C2)C=C1	1.744	1.8663	1.9442	421.0075954	409.145	0.099111463	-0.310502457	154.0823069	50.82	3	0	0	0	4
1639	N#CC1=CC=C(N(C2=CC=C(Br)C=C2)C2=CC=C(Br)C=C2)C=C1	1.7475	1.8572	1.9243	425.9367226	416.031	0.099111463	-0.310502537	151.7980422	27.03	3	0	0	0	4
1640	N#CC1=CC=C(N(C2=CC=C(Cl)C=C2)C2=CC=C(Br)C=C2)C=C1	1.7457	1.8543	1.9205	381.9872382	371.58	0.099111463	-0.310502108	148.2337608	27.03	3	0	0	0	4
1641	N#CC1=CC=C(N(C2=CC=C(Br)C=C2)C2=CC=C(I)C=C2)C=C1	1.7288	1.8377	1.9041	473.9228585	463.031	0.099111463	-0.31050262	157.1923327	27.03	3	0	0	0	4
1642	N#CC1=CC=C(N(C2=CC=CC=C2)C2=CC=C(Br)C=C2)C=C1	1.7308	1.8344	1.8972	348.0262105	336.127	0.099111463	-0.31050386	137.9304946	27.03	3	0	0	0	3
1643	BrC1=CC=C(N(C2=CC=C(Br)C=C2)C2=CC=C(Br)C=C2)C=C1	1.7364	1.8335	1.8899	478.8519857	469.917	0.046189152	-0.3105027	154.908068	3.24	3	0	0	0	4
1644	N#CC1=CC=C(N(C2=CC=C(Cl)C=C2)C2=CC=C(Cl)C=C2)C=C1	1.7241	1.8279	1.8909	338.0377537	327.129	0.099111463	-0.310501679	144.6694795	27.03	3	0	0	0	4
1645	N#CC1=CC=C(N(C2=CC=CC=C2)C2=CC=CC=C2)C=C1	1.7281	1.8277	1.8873	270.1156984	256.223	0.099111463	-0.310505184	124.062947	27.03	3	0	0	0	2
1646	N#CC1=CC=C(N(C2=CC=CC=C2)C2=CC=C(I)C=C2)C=C1	1.7219	1.8271	1.8909	396.0123464	383.127	0.099111463	-0.310503944	143.3247851	27.03	3	0	0	0	3
1647	N#CC1=CC=C(N(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)C=C1	1.7253	1.8271	1.8885	304.0767261	291.676	0.099111463	-0.310503431	134.3662132	27.03	3	0	0	0	3
1648	N#CC1=CC=C(N(C2=CC=C(Cl)C=C2)C2=CC=C(I)C=C2)C=C1	1.7156	1.8214	1.8855	429.9733741	418.58	0.099111463	-0.310502191	153.6280513	27.03	3	0	0	0	4
1649	BrC1=CC=C(N(C2=CC=CC=C2)C2=CC=C(Br)C=C2)C=C1	1.7265	1.818	1.8705	400.9414736	390.013	0.04618914	-0.310504023	141.0405204	3.24	3	0	0	0	3
1650	N#CC1=CC=C(N(C2=CC=C(I)C=C2)C2=CC=C(I)C=C2)C=C1	1.7092	1.8174	1.8832	521.9089944	510.031	0.099111463	-0.310502704	162.5866232	27.03	3	0	0	0	4
1651	ClC1=CC=C(N(C2=CC=C(Br)C=C2)C2=CC=C(I)C=C2)C=C1	1.7185	1.8149	1.8708	482.8886372	472.466	0.046214649	-0.310502354	156.7380772	3.24	3	0	0	0	4
1652	BrC1=CC=C(N(C2=CC=C(I)C=C2)C2=CC=C(I)C=C2)C=C1	1.7082	1.8067	1.8638	574.8242575	563.917	0.046189151	-0.310502867	165.696649	3.24	3	0	0	0	4
1653	ClC1=CC=C(N(C2=CC=C(Cl)C=C2)C2=CC=C(Br)C=C2)C=C1	1.7125	1.8038	1.8563	390.9530168	381.015	0.046214653	-0.310501842	147.7795053	3.24	3	0	0	0	4
1654	BrC1=CC=C(N(C2=CC=CC=C2)C2=CC=CC=C2)C=C1	1.7173	1.8029	1.8511	323.0309615	310.109	0.046189129	-0.310505347	127.1729728	3.24	3	0	0	0	2
1655	ClC1=CC=C(N(C2=CC=C(Cl)C=C2)C2=CC=C(Cl)C=C2)C=C1	1.7077	1.7973	1.8488	347.0035324	336.564	0.046214657	-0.310501412	144.2152239	3.24	3	0	0	0	4
1656	BrC1=CC=C(N(C2=CC=CC=C2)C2=CC=C(I)C=C2)C=C1	1.7005	1.791	1.8427	448.9276095	437.013	0.04618914	-0.310504107	146.4348109	3.24	3	0	0	0	3
1657	ClC1=CC=C(N(C2=CC=C(I)C=C2)C2=CC=C(I)C=C2)C=C1	1.6946	1.7899	1.845	530.8747731	519.466	0.046214648	-0.310502438	162.1323677	3.24	3	0	0	0	4
1658	IC1=CC=C(N(C2=CC=C(I)C=C2)C2=CC=C(I)C=C2)C=C1	1.6889	1.7856	1.8415	622.8103934	610.917	0.046184189	-0.31050295	171.0909396	3.24	3	0	0	0	4
1659	ClC1=CC=C(N(C2=CC=C(Cl)C=C2)C2=CC=C(I)C=C2)C=C1	1.6903	1.7809	1.833	438.9391527	428.015	0.046214652	-0.310501925	153.1737958	3.24	3	0	0	0	4
1660	ClC1=CC=C(N(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)C=C1	1.6955	1.7801	1.828	313.0425048	301.111	0.046214641	-0.310503165	133.9119577	3.24	3	0	0	0	3
1661	ClC1=CC=C(N(C2=CC=CC=C2)C2=CC=CC=C2)C=C1	1.6972	1.7787	1.8242	279.0814771	265.658	0.046214626	-0.310504918	123.6086914	3.24	3	0	0	0	2
1662	ClC1=CC=C(N(C2=CC=CC=C2)C2=CC=C(I)C=C2)C=C1	1.6853	1.7724	1.822	404.9781251	392.562	0.046214637	-0.310503678	142.8705295	3.24	3	0	0	0	3
1663	IC1=CC=C(N(C2=CC=CC=C2)C2=CC=C(I)C=C2)C=C1	1.6775	1.7673	1.8186	496.9137454	484.013	0.046184178	-0.31050419	151.8291014	3.24	3	0	0	0	3
1664	IC1=CC=C(N(C2=CC=CC=C2)C2=CC=CC=C2)C=C1	1.6778	1.7606	1.8071	371.0170974	357.109	0.046184167	-0.31050543	132.5672633	3.24	3	0	0	0	2
1665	C1=CC=C(N(C2=CC=CC=C2)C2=CC=CC=C2)C=C1	1.6809	1.7562	1.7975	245.1204495	230.205	0.046110134	-0.31050667	113.3054252	3.24	3	0	0	0	1