Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	OC[C@@]12CC[C@@H](C[C@@]2(O)CC[C@@H]2[C@@H]1CC[C@]1([C@]2(O)CC[C@@H]1C1=CC(=O)OC1)C)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O	0.952	0.98	0.001	0.715	0.975	0.925	0.92	0.467	0.959	0.554	0.087
Compound_2	O=C1OCC(=C1)[C@H]1CCC2([C@]1(C)C[C@@H](O)[C@H]1[C@H]2CC[C@]2([C@]1(C)CC[C@@H](C2)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O	0.952	1.0	0.006	0.723	0.981	0.918	0.92	0.758	0.971	0.714	0.867
Compound_3	OC[C@H]1O[C@@H](O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)O[C@H]2CC[C@]3(C(=C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C=O)[C@@H]([C@H]([C@@H]1O)O)O	0.886	0.96	0.003	0.695	0.931	0.938	0.792	0.314	0.865	0.496	0.063
Compound_4	O=C[C@]12CC[C@@H](C=C1CC[C@@H]1[C@@H]2CC[C@]2([C@]1(O)CC[C@@H]2C1=CC(=O)OC1)C)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O	0.881	0.96	0.006	0.737	0.892	0.919	0.681	0.759	0.807	0.536	0.117
Compound_5	OC[C@H]1O[C@@H](O[C@H]2C[C@@H](O[C@H]3C[C@@H](O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]4[C@@H]5CC[C@]5(C4(O)CC[C@@H]5C4=CC(=O)OC4)C)C)O[C@@H]([C@H]3O[C@@H]3C[C@H](O)[C@@H]([C@H](O3)C)O)C)O[C@@H]([C@H]2O)C)[C@@H]([C@H]([C@@H]1O)O)O	0.936	1.0	0.001	0.724	0.992	0.898	0.954	0.438	0.969	0.84	0.535
Compound_6	OC[C@H]1O[C@@H](O[C@H]2C[C@@H](O[C@H]3C[C@@H](O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]4[C@@H]5CC[C@]5(C4(O)C[C@@H]([C@@H]5C4=CC(=O)OC4)O)C)C)O[C@@H]([C@H]3O[C@@H]3C[C@H](O)[C@@H]([C@H](O3)C)O)C)O[C@@H]([C@H]2O)C)[C@@H]([C@H]([C@@H]1O)O)O	0.93	1.0	0.003	0.714	0.968	0.7	0.954	0.474	0.969	0.84	0.535
Compound_7	COC(=O)C1=C2Nc3c([C@@]42[C@@H]2[C@](C1)(CCCN2CC4)[C@H](O)C)cccc3	0.632	0.682	0.046	0.195	0.421	0.466	0.424	0.512	0.348	0.005	0.539
Compound_8	O=C1OCC(=C1)[C@H]1[C@@H](O)C[C@]2([C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O)O	0.948	1.0	0.007	0.815	0.964	0.733	0.954	0.964	0.95	0.714	0.867
Compound_9	CO[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)[C@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C)O[C@@H]([C@@H]1O)C	0.944	1.0	0.001	0.655	0.981	0.943	0.954	0.616	0.974	0.557	0.617
Compound_10	OC[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.945	1.0	0.001	0.729	0.981	0.943	0.954	0.557	0.969	0.84	0.535
Compound_11	OC[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC([C@@H]3C2=CC(=O)OC2)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.94	1.0	0.003	0.719	0.961	0.739	0.954	0.604	0.969	0.84	0.535
Compound_12	COC(=O)[C@@H]1[C@H]2CC(=O)C34[C@@]1(CCN3C/C/2=C\C)c1ccccc1N4C	0.662	0.829	0.06	0.187	0.404	0.35	0.791	0.838	0.355	0.204	0.477
Compound_13	O=CO[C@H]1C[C@]2([C@]([C@H]1C1=CC(=O)OC1)(C)CC[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O	0.905	0.99	0.003	0.695	0.962	0.699	0.954	0.668	0.954	0.773	0.918
Compound_14	CC(C(=O)O[C@@H]1CC(C)(C)C[C@@H]2[C@]1(CC[C@@]1(C2=CC[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)CCC(=O)C1(C)C)C)C(=O)O)C	0.867	0.88	0.083	0.39	0.969	0.748	0.357	0.98	0.187	0.888	0.142
Compound_15	OC[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2CC[C@]3([C@](C2)(O)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C=O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O	0.923	0.97	0.002	0.713	0.987	0.92	0.911	0.559	0.851	0.446	0.486
Compound_16	O=C[C@@]12CC[C@@H](C[C@@]2(O)CC[C@@H]2[C@@H]1CC[C@]1([C@]2(O)CC[C@@H]1C1=CC(=O)OC1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O	0.923	0.97	0.004	0.764	0.97	0.952	0.911	0.874	0.812	0.485	0.707
Compound_17	O=C[C@@]12CC[C@@H](C[C@@]2(O)CC[C@@H]2[C@@H]1CC[C@]1([C@]2(O)CC[C@@H]1C1=CC(=O)OC1)C)O[C@@H]1O[C@H](C)[C@H]([C@H]([C@H]1O)O)O	0.924	0.97	0.003	0.756	0.955	0.939	0.852	0.756	0.867	0.068	0.845
Compound_18	OC[C@H]1O[C@@H](O[C@H]2[C@@H](C)O[C@H]([C@@H]([C@@H]2O)O)O[C@H]2CC[C@]3([C@](C2)(O)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C=O)[C@@H]([C@H]([C@@H]1O)O)O	0.923	0.97	0.002	0.702	0.97	0.952	0.911	0.559	0.856	0.446	0.486
Compound_19	OCC1OC(OCC(=O)COCCCOC2CCC3(C(C2)(O)CCC2C3CCC3(C2(O)CCC3C2=CC(=O)OC2)C)C=O)C(C(C1O)O)O	0.902	0.94	0.002	0.71	0.873	0.925	0.708	0.166	0.78	0.515	0.421
Compound_20	COC(=O)[C@@H]1[C@H]2CC[C@@]34[C@@]1(CCN3C/C/2=C/C)c1cc(OC)ccc1N4C	0.66	0.758	0.217	0.318	0.806	0.517	0.687	0.928	0.358	0.478	0.528
Compound_21	OC[C@H]1O[C@@H](OC2[C@H](C)OC([C@H]([C@@H]2O)O)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.945	1.0	0.001	0.708	0.981	0.943	0.954	0.557	0.973	0.84	0.535
Compound_22	O=C1OCC(=C1)C1CCC2(C1(C)CCC1C2CCC2C1(C)CCC(C2)OC1OC(COC2C(C)OC(C(C2O)O)O)C(C(C1O)O)O)O	0.952	1.0	0.002	0.75	0.981	0.943	0.954	0.795	0.988	0.946	0.613
Compound_23	OC[C@H]1O[C@H](O[C@H]2[C@H](O[C@H]3CC[C@]4([C@@H](C3)CC[C@@H]3[C@@H]4CC[C@]4(C3(O)CC[C@@H]4C3=CC(=O)OC3)C)C)O[C@H]([C@@H]([C@H]2O[C@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)O)C)[C@@H]([C@H]([C@@H]1O)O)O	0.935	1.0	0.001	0.714	0.994	0.921	0.954	0.456	0.973	0.84	0.535
Compound_24	OC[C@H]1O[C@@H](O[C@H]2[C@H](C)O[C@H]([C@@H]([C@@H]2O)O)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.945	1.0	0.001	0.708	0.981	0.943	0.954	0.557	0.973	0.84	0.535
Compound_25	CO[C@@H]1[C@@H](O)[C@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C)O[C@@H]([C@@H]1O)C	0.946	1.0	0.0	0.679	0.969	0.923	0.92	0.926	0.982	0.463	0.905
Compound_26	CO[C@@H]1C[C@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C)O[C@@H]([C@@H]1O)C	0.959	1.0	0.002	0.728	0.964	0.906	0.92	0.979	0.963	0.463	0.947
Compound_27	CO[C@@H]1C[C@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@]24[C@@H]3CC[C@]3([C@]4(O2)CC[C@@H]3C2=CC(=O)OC2)C)C)O[C@@H]([C@@H]1O)C	0.943	0.99	0.005	0.652	0.986	0.901	0.952	0.991	0.953	0.44	0.945
Compound_28	CO[C@@H]1C[C@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@]24[C@@H]3CC[C@](C4=O)(C)[C@H](CC2)C2=CC(=O)OC2)C)O[C@@H]([C@@H]1O)C	0.864	0.98	0.014	0.627	0.939	0.895	0.811	0.968	0.463	0.296	0.995
Compound_29	CO[C@@H]1[C@@H](O)[C@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)C[C@@H]([C@@H]3C2=CC(=O)OC2)OC(=O)C)C)C)O[C@@H]([C@@H]1O)C	0.916	0.99	0.0	0.613	0.959	0.739	0.947	0.893	0.981	0.244	0.986
Compound_30	O=C1OCC(=C1)[C@H]1CC[C@]2([C@]1(C)C[C@@H](O)[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@@H](C2)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O	0.951	1.0	0.004	0.702	0.976	0.916	0.92	0.756	0.971	0.714	0.867
Compound_31	OC[C@H]1O[C@@H](O[C@H]2[C@@H](C)O[C@H]([C@@H]([C@@H]2O)O)O[C@H]2CC[C@]3([C@@H](C2)CC[C@H]2[C@@H]3[C@H](O)C[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.945	1.0	0.003	0.685	0.986	0.938	0.954	0.557	0.969	0.84	0.535
Compound_32	O=C[C@@]12CC[C@@H](C[C@@]2(O)CCC2C1[C@H](O)C[C@]1([C@]2(O)CC[C@@H]1C1=CC(=O)OC1)C)O[C@H]1OC(C)[C@H](C(C1O)O)O	0.91	0.97	0.006	0.733	0.967	0.936	0.83	0.756	0.865	0.068	0.845
Compound_33	O=C1O[C@@H]2C[C@H]3C(=C[C@@H]([C@H]([C@@]3([C@@H]3[C@@]42[C@@H](C1)[C@@H](C)[C@H]([C@@]3(OC4)O)O)C)O)O)C	0.937	0.88	0.02	0.58	0.93	0.696	0.576	0.985	0.617	0.933	0.865
Compound_34	O=C1O[C@@H]2C[C@H]3C(=CC(=O)[C@H]([C@@]3([C@@H]3[C@@]42[C@@H](C1)[C@@H](C)[C@H]([C@@]3(OC4)O)O)C)O)C	0.935	0.86	0.018	0.698	0.693	0.748	0.604	0.98	0.438	0.565	0.966
Compound_35	O=C[C@@]12CC[C@@H](C[C@@]2(O)CC[C@@H]2[C@@H]1CC[C@]1([C@]2(O)CC[C@@H]1C1=CC(=O)OC1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O	0.942	0.96	0.004	0.801	0.955	0.939	0.852	0.939	0.775	0.068	0.905
Compound_36	CO[C@H]1[C@H](O)[C@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C=O)O[C@H]([C@@H]1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O)C	0.926	0.99	-0.0	0.678	0.98	0.92	0.911	0.669	0.877	0.661	0.935
Compound_37	CO[C@H]1[C@H](O)[C@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C)O[C@H]([C@@H]1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O)C	0.945	1.0	-0.0	0.66	0.994	0.921	0.954	0.669	0.983	0.557	0.617
Compound_38	CO[C@H]1[C@H](O)[C@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]34[C@]2(O)CC[C@@H]4[C@@]2(OC3)COC(=O)C2)C)O[C@H]([C@@H]1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O)C	0.521	0.824	-0.0	0.586	0.986	0.837	0.826	0.299	0.833	0.653	0.434
Compound_39	CCC=S=O	0.836	0.156	0.194	0.58	0.034	0.096	0.996	0.958	0.799	1.0	0.807
Compound_40	C/C=C/SS(=O)/C=C/C	0.855	0.1	0.896	0.625	0.202	0.032	0.998	0.997	0.923	1.0	0.579
Compound_41	CCCS(=O)S/C=C/C	0.729	0.077	0.865	0.666	0.172	0.027	0.983	0.992	0.737	0.999	0.553
Compound_42	CCCSS(=O)/C=C/C	0.658	0.067	0.417	0.746	0.202	0.032	0.998	0.989	0.859	1.0	0.56
Compound_43	CCCSS(=O)C	0.657	0.09	0.342	0.65	0.052	0.044	0.996	0.437	0.645	1.0	0.527
Compound_44	CSS(=O)C	0.799	0.092	0.313	0.528	0.168	0.13	0.965	0.916	0.769	1.0	0.546
Compound_45	C/C=C/S(=O)SC	0.85	0.095	0.568	0.631	0.202	0.032	0.998	0.998	0.818	1.0	0.577
Compound_46	C/C=C/SS(=O)C	0.88	0.095	0.896	0.645	0.202	0.032	0.998	0.996	0.818	1.0	0.577
Compound_47	CCCSS(=O)(=O)[O-]	0.769	0.067	0.082	0.363	0.085	0.088	0.998	0.625	0.372	0.995	0.475
Compound_48	C/C=C/SS(=O)(=O)O	0.79	0.12	0.462	0.303	0.473	0.182	0.997	0.759	0.542	0.974	0.414
Compound_49	CC=CSS(=O)(=O)O	0.79	0.12	0.462	0.303	0.473	0.182	0.997	0.759	0.542	0.974	0.414
Compound_50	C=CCSS(=O)(=O)O	0.697	0.15	0.134	0.321	0.523	0.217	0.995	0.986	0.104	0.816	0.474
Compound_51	C=CCSS(=O)/C=C/C	0.789	0.072	0.564	0.692	0.202	0.032	0.998	0.999	0.367	1.0	0.613
Compound_52	C=CCS(=O)S/C=C/C	0.826	0.09	0.865	0.662	0.172	0.027	0.983	1.0	0.394	1.0	0.605
Compound_53	CSS(=O)CC=C	0.809	0.101	0.5	0.672	0.172	0.027	0.983	1.0	0.283	0.999	0.595
Compound_54	C=CCOS(=O)(=O)SCC=C	0.774	0.124	0.601	0.606	0.377	0.187	1.0	0.998	0.088	0.999	0.513
Compound_55	O[C@@H]1[C@@H]2OC(=O)C3=C2[C@@H]([C@]2([C@@H]1C)C[C@H](OC2=O)c1cocc1)CCC3	0.802	0.96	0.105	0.569	0.454	0.505	0.971	0.502	0.733	0.318	0.505
Compound_56	O=C1O[C@H]2C3=C1CCC[C@@H]3[C@]1([C@@H](C2)C)C[C@H](OC1=O)c1cocc1	0.804	0.96	0.437	0.496	0.466	0.522	0.986	0.256	0.733	0.967	0.766
Compound_57	O[C@H]1CC[C@@H]2C3=C1C(=O)O[C@@H]3C[C@H]([C@@]12C[C@H](OC1=O)c1cocc1)C	0.814	0.97	0.118	0.561	0.494	0.613	0.99	0.561	0.686	0.899	0.601
Compound_58	O=C1O[C@H]2C3=C1CCC[C@H]3[C@]1([C@@H](C2)C)C[C@H](OC1=O)c1cocc1	0.804	0.96	0.437	0.496	0.466	0.522	0.986	0.256	0.733	0.967	0.766
Compound_59	C[C@@H]1C[C@@H](O)[C@@]23[C@@H]([C@]41C[C@H](OC4=O)c1ccoc1)C[C@H]1[C@@H]([C@@]3(O)C(=O)OC2)O1	0.606	0.768	0.035	0.652	0.711	0.649	0.982	0.127	0.405	0.062	0.718
Compound_60	OC[C@]12O[C@H]1[C@H]1[C@H]3O[C@]4(O[C@]1([C@H]1[C@@]([C@@H]2O)(O)C(=O)C(=C1)C)[C@@H](C[C@@]3(O4)C(=C)C)C)c1ccccc1	0.69	0.667	0.059	0.607	0.817	0.775	0.759	0.877	0.339	0.866	0.513
Compound_61	CCC/C=C/C=C/C=C/C(=O)O[C@@H]1[C@@H](C)[C@@]23OC4(O[C@]1(C(=C)C)[C@@H]([C@@H]2[C@@H]1O[C@@]1([C@H]([C@]1([C@H]3C=C(C1=O)C)O)O)CO)O4)c1ccccc1	0.69	0.735	0.09	0.582	0.842	0.814	0.909	0.879	0.517	0.551	0.546
Compound_62	COc1ccc2c(c1)NC(=O)[C@@]12CCN2[C@@H]1C[C@H]1[C@@H](C2)[C@H](C)OC=C1C(=O)OC	0.66	0.739	0.069	0.388	0.672	0.471	0.854	0.686	0.311	0.941	0.777
Compound_63	OCC1=C[C@H]2[C@H]3[C@H](C3(C)C)C[C@H]([C@]3([C@@]([C@@H]1O)(O)[C@@H](O)C(=C3)C)C2=O)C	0.952	0.567	0.036	0.687	0.75	0.225	0.652	0.255	0.396	0.148	0.416
Compound_64	O=C(c1ccccc1)OCC1=C[C@H]2[C@H]3[C@H](C3(C)C)C[C@H]([C@]3([C@@]([C@@H]1O)(O)[C@@H](OC(=O)c1ccccc1)C(=C3)C)C2=O)C	0.907	0.713	0.124	0.685	0.802	0.594	0.634	0.775	0.468	0.058	0.806
Compound_65	CCCCCCCCCCCC(=O)O[C@H]1C(=C[C@]23[C@]1(O)[C@H](O)C(=C[C@@](C3=O)(C)[C@]1([C@](C[C@H]2C)(C)C1(C)C)C)CO)C	0.956	0.807	0.025	0.627	0.839	0.345	0.829	0.481	0.426	0.149	0.914
Compound_66	OCC1=C[C@@H]2C(=O)[C@@]3([C@@]([C@@H]1O)(O)[C@@H](O)C(=C3)C)[C@@H](C[C@@]1([C@H]2C1(C)C)O)C	0.962	0.637	0.049	0.631	0.765	0.255	0.556	0.242	0.396	0.226	0.376
Compound_67	CCCCCCCCCCCC(=O)O[C@@]12C[C@@H](C)[C@]34C(=O)[C@H]([C@@H]1C2(C)C)C=C([C@H]([C@]4(O)[C@H](C(=C3)C)OC(=O)C(C(C)C)C)O)CO	0.948	0.807	0.033	0.649	0.857	0.383	0.718	0.119	0.432	0.149	0.914
Compound_68	CC1=C[C@H]2[C@H]3[C@H](C3(C)C)C[C@H]([C@]3([C@@]([C@@H]1O)(O)[C@@H](O)C(=C3)C)C2=O)C	0.969	0.547	0.055	0.676	0.751	0.258	0.7	0.934	0.417	0.825	0.619
Compound_69	CC(=O)O[C@H]1[C@@H](C)C=CC(C)(C)[C@H](OC(=O)C)C[C@H](/C(=C\[C@@H]2[C@]1(O)C[C@@H]([C@@H]2OC(=O)c1ccccc1)C)/C)OC(=O)C	0.892	0.57	0.151	0.714	0.899	0.756	0.941	0.958	0.812	0.4	0.746
Compound_70	C=C1CC[C@H]2[C@H](C2(C)C)/C=C(/C(=O)[C@@]2([C@@H]([C@H]1O)[C@@H](O)[C@H](C2)C)O)\C	0.979	0.677	0.071	0.67	0.826	0.692	0.54	0.977	0.298	0.541	0.621
Compound_71	O=C1O[C@H]2[C@H]3[C@]1(C)CCC[C@]3(C)[C@]1([C@@H](C2)C)CC[C@]2(O1)COC=C2	0.951	0.814	0.01	0.648	0.975	0.677	0.983	0.951	0.662	0.992	0.9
Compound_72	C[C@@H]1C[C@H]2OC(=O)[C@@]3([C@H]2[C@]([C@@]1(O)CCc1cocc1)(C)CCC3)C	0.606	0.889	0.149	0.508	0.637	0.719	0.993	0.132	0.531	0.994	0.48
Compound_73	OC[C@@]1(C)CCC[C@]2([C@H]1[C@H](O)C[C@H]([C@]2(O)CCc1cocc1)C)C	0.71	0.838	0.154	0.553	0.421	0.835	0.955	0.061	0.477	0.918	0.78
Compound_74	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@@H]3[C@]([C@H]2[C@@H]([C@]2(C(C1=C(C)[C@@H](O)C2)(C)C)O)OC(=O)c1ccccc1)(CO3)OC(=O)C	0.936	0.714	0.008	0.669	0.749	0.797	0.794	0.579	0.385	0.356	0.767
Compound_75	OC[C@]12[C@@H](O)C[C@@H]3[C@]([C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(C(C(=C(C)[C@H](C2)O)[C@H](C1=O)OC(=O)C)(C)C)O)(CO3)OC(=O)C	0.936	0.794	0.007	0.664	0.749	0.797	0.794	0.565	0.387	0.601	0.642
Compound_76	CC(=O)O[C@H]1C[C@@H]2[C@@H](OC(=O)C)[C@@H]3[C@@]4(CO4)[C@@H](OC(=O)C)C[C@@H]([C@]3([C@H]([C@@H](C(=C1C)C2(C)C)OC(=O)C)OC(=O)C)C)OC(=O)C	0.976	0.806	0.031	0.403	0.971	0.734	0.736	0.832	0.734	0.581	0.638
Compound_77	CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)C)[C@@H]3[C@@]4(CO[C@@H]4C[C@@H]([C@]3([C@H]([C@@H](C(=C1C)C2(C)C)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C	0.955	0.752	0.006	0.404	0.93	0.652	0.515	0.666	0.655	0.316	0.729
Compound_78	CC(=O)O[C@H]1CC[C@@]2([C@@H](C1=C)C[C@@H]1C[C@@H](C(=C([C@H]([C@@H]2OC(=O)C)OC(=O)C)C1(C)C)C)OC(=O)C)C	0.974	0.846	0.113	0.458	0.91	0.567	0.462	0.9	0.706	0.967	0.147
Compound_79	CN1CC[C@]2([C@@H]1Nc1c2cccc1)[C@]12CCN([C@H]1N(c1c2cccc1)C)C	0.265	0.653	0.056	0.158	0.74	0.677	0.858	0.065	0.414	0.263	0.178
Compound_80	CC(=O)O[C@H]1[C@@H]2C(=C)[C@H](CC[C@@]2(C)[C@@H](OC(=O)C)[C@@H](C2=C(C(=O)C[C@@H]1C2(C)C)C)OC(=O)C)OC(=O)/C=C/c1ccccc1	0.926	0.631	0.386	0.646	0.921	0.964	0.704	0.996	0.46	0.685	0.109
Compound_81	CC(=O)O[C@H]1C[C@H](OC(=O)/C=C/c2ccccc2)C(=C)[C@@H]2[C@]1(C)[C@@H](OC(=O)C)[C@H](OC(=O)C)C1=C(C(=O)C[C@@H]([C@H]2OC(=O)C)C1(C)C)C	0.937	0.659	0.585	0.61	0.896	0.957	0.655	0.997	0.471	0.624	0.386
Compound_82	CC(=O)O[C@H]1C[C@H](O)C(=C)[C@@H]2[C@]1(C)[C@@H](OC(=O)C)[C@H](OC(=O)c1ccccc1)C1=C(C)[C@H](C[C@]1([C@H]2OC(=O)C)C(O)(C)C)O	0.914	0.765	0.024	0.595	0.783	0.817	0.683	0.683	0.77	0.214	0.376
Compound_83	O=C(O[C@H]1C[C@H](OC(=O)C)[C@@]2([C@@H](C1=C)[C@H](OC(=O)C)[C@@H]1CC(=O)[C@@]3([C@]([C@H]([C@@H]2OC(=O)C)OC(=O)C)([C@@]1(C)CO3)O)C)COC(=O)c1ccccc1)/C=C/c1ccccc1	0.907	0.86	0.222	0.672	0.92	0.91	0.986	0.988	0.46	0.798	0.893
Compound_84	CC(=O)O[C@H]1C[C@H](OC(=O)/C=C/c2ccccc2)C(=C)[C@@H]2[C@]1(C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@]1([C@@]3([C@H]([C@H]2OC(=O)C)CC(=O)[C@@]1(C)OC3)C)O	0.94	0.86	0.227	0.643	0.894	0.92	0.913	0.991	0.467	0.183	0.91
Compound_85	O=C(C[C@H](c1ccccc1)N(C)C)O[C@H]1CC[C@@]2([C@@H](C1=C)[C@H](O)[C@]1(O)CC(=O)C(=C([C@H]([C@@H]2OC(=O)C)O)C1(C)C)C)C	0.791	0.776	0.001	0.302	0.765	0.949	0.014	0.877	0.371	0.046	0.172
Compound_86	CC(=O)O[C@H]1C=C2C[C@@](C)([C@H](C[C@@H]2OC(=O)[C@@H]([C@H](c2ccccc2)N(C)C)O)O)C(=O)[C@@H](C2=C([C@H](C[C@@H]1C2(C)C)OC(=O)C)C)O	0.811	0.769	0.002	0.358	0.597	0.718	0.003	0.955	0.258	0.017	0.152
Compound_87	C/C=C(\C(=O)O[C@@H]1CC(C)(C)C[C@@H]2[C@]1(CC[C@@]1(C2=CC[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)CC[C@@H](C1(C)C)O)C)C(=O)O)/C	0.91	0.9	0.018	0.313	0.984	0.937	0.615	0.995	0.533	0.938	0.159
Compound_88	COc1cc2c3C[C@@H]4CCCN4Cc3c3c(c2cc1OC)cc(c(c3)OC)OC	0.135	0.743	0.378	0.164	0.146	0.757	0.079	0.005	0.627	0.054	0.398
Compound_89	CC(=O)O[C@@]12CO[C@@H]1C[C@@H]([C@@]1([C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@@H]([C@H](c3ccccc3)NC(=O)c3ccccc3)O)C(=C(C2(C)C)[C@H](C1=O)O)C)C)O	0.948	0.707	0.003	0.527	0.801	0.832	0.215	0.628	0.394	0.39	0.773
Compound_90	C/C=C(/C(=O)N[C@H]([C@H](C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@@H]([C@]3(C(=O)[C@@H](C(=C1C)C2(C)C)O)C)O)OC(=O)C)O)c1ccccc1)\C	0.925	0.707	0.009	0.506	0.552	0.799	0.204	0.859	0.401	0.39	0.773
Compound_91	O=C(C[C@H](c1ccccc1)N(C)C)O[C@H]1CC[C@@]2([C@@H](C1=C)[C@H](OC(=O)C)[C@]1(O)CC(=O)C(=C([C@H]([C@@H]2OC(=O)C)OC(=O)C)C1(C)C)C)C	0.813	0.773	0.004	0.248	0.773	0.949	0.028	0.888	0.373	0.075	0.112
Compound_92	O=C(C[C@H](c1ccccc1)N(C)C)O[C@H]1CC[C@@]2([C@@H](C1=C)[C@H](OC(=O)C)[C@@H]1CC(=O)C(=C([C@H]([C@@H]2OC(=O)C)OC(=O)C)C1(C)C)C)C	0.804	0.733	0.018	0.233	0.623	0.95	0.013	0.943	0.387	0.095	0.114
Compound_93	OCC=C(CC[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@]2(C)C(=O)O)C	0.891	0.579	0.047	0.287	0.836	0.412	0.755	0.696	0.065	0.825	0.617
Compound_94	COc1ccc2c(c1O)c1c(O)c(OC)cc3c1[C@H](C2)[N+](C)(C)CC3	0.209	0.684	0.366	0.746	0.248	0.299	0.011	0.963	0.092	0.171	0.28
Compound_95	OC[C@H]1O[C@@H](O[C@@H]2CC(C(=O)[O-])(C(=O)[O-])[C@@H]3[C@](C2)(C)[C@@H]2CC[C@@H]4C[C@@]2(CC3)[C@@H](O)C4=C)[C@@H]([C@H]([C@@H]1OS(=O)(=O)O)OS(=O)(=O)O)OC(=O)CC(C)C	0.765	0.98	0.024	0.296	0.965	0.711	0.529	0.781	0.345	0.438	0.5
Compound_96	CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@@H](O)[C@]1([C@H]([C@]3(C)O)C[C@@H](C1(C)C)O)O)C[C@@]2(C)O	0.79	0.723	0.015	0.585	0.787	0.675	0.533	0.458	0.568	0.699	0.255
Compound_97	CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@@H](O)[C@]1([C@H](C3=C)C[C@@H](C1(C)C)O)O)C[C@@]2(C)O	0.905	0.887	0.046	0.644	0.806	0.675	0.607	0.848	0.651	0.801	0.548
Compound_98	O[C@@H]1CC23C[C@@](C([C@@H]2O)CC[C@H]3[C@@]([C@H]2[C@@]1(O)C(C)(C)C(=O)C2)(C)O)(C)O	0.652	0.723	0.025	0.495	0.765	0.68	0.171	0.287	0.097	0.782	0.279
Compound_99	CC1=CC23[C@H](C1CC[C@H]3[C@@](C)(O)[C@H]1[C@@]([C@@H](C2)O)(O)C(C)(C)[C@H](C1)O)O	0.965	0.826	0.034	0.609	0.786	0.686	0.5	0.797	0.289	0.81	0.763
Compound_100	C=C1[C@@H]2CCC3[C@@H](C2(CC3=C)C[C@H]([C@]2([C@H]1C[C@@H](C2(C)C)O)O)O)O	0.915	0.836	0.083	0.583	0.769	0.663	0.398	0.65	0.378	0.782	0.674
Compound_101	CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@@]1(C=C2C)C[C@@H](O)[C@]1([C@H](C3=C)C[C@@H](C1(C)C)O)O	0.91	0.854	0.069	0.617	0.822	0.693	0.607	0.995	0.642	0.745	0.66
Compound_102	C=C1[C@@H]2CC[C@@H]3C[C@@]2(C[C@H]([C@]2([C@H]1C[C@@H](C2(C)C)O)O)O)C[C@@]3(C)O	0.906	0.87	0.102	0.552	0.777	0.672	0.442	0.624	0.335	0.883	0.73
Compound_103	CC(=O)O[C@@H]1[C@@H](O)[C@@]2(O)[C@H]([C@]([C@H]3[C@@]41C[C@H]([C@](C4)(C)O)CC3)(C)O)[C@H]1[C@@H](C2(C)C)O1	0.944	0.881	0.011	0.376	0.814	0.667	0.621	0.575	0.639	0.897	0.318
Compound_104	O[C@@H]1[C@H]2CC[C@@H]3[C@@]1(C[C@@]2(C)O)[C@H](O)[C@@H](O)[C@]1([C@H]([C@]3(C)O)C[C@@H](C1(C)C)O)O	0.853	0.725	0.037	0.481	0.751	0.67	0.52	0.244	0.317	0.858	0.363
Compound_105	C=C1[C@@H]2CC[C@@H]3[C@H]([C@]2(C[C@@]3(C)O)[C@@H]([C@H]([C@]2([C@H]1C[C@@H](C2(C)C)O)O)O)O)O	0.906	0.87	0.106	0.529	0.768	0.67	0.5	0.762	0.408	0.883	0.73
Compound_106	CC(=O)O[C@@H]1[C@@H](O)[C@@]23C[C@@]([C@@H]([C@H]2O)CC[C@H]3[C@@]([C@H]2[C@@]1(O)C(C)(C)[C@H](C2)O)(C)O)(C)O	0.784	0.733	0.026	0.565	0.796	0.68	0.683	0.616	0.63	0.715	0.253
Compound_107	CC(=O)O[C@@H]1[C@@H](O)[C@@]23C[C@@]([C@@H]([C@H]2O)CC[C@H]3[C@@]([C@H]2[C@@]1(O)C(C)(C)[C@@H]1[C@H]2O1)(C)O)(C)O	0.88	0.901	0.018	0.499	0.827	0.678	0.786	0.641	0.715	0.862	0.321
Compound_108	CC(=O)O[C@@H]1[C@@H](OC(=O)C)[C@@]2(O)[C@H]([C@]([C@H]3[C@]41C[C@@]([C@@H]([C@H]4O)CC3)(C)O)(C)O)[C@H]1[C@@H](C2(C)C)O1	0.933	0.91	0.018	0.5	0.827	0.678	0.786	0.641	0.715	0.239	0.654
Compound_109	CC(=O)O[C@@H]1[C@@H](O)[C@@]2(O)[C@H]([C@]([C@H]3[C@]41C[C@@]([C@@H]([C@H]4OC(=O)C)CC3)(C)O)(C)O)[C@H]([C@@H](C2(C)C)O)O	0.791	0.723	0.008	0.402	0.796	0.676	0.683	0.646	0.656	0.105	0.549
Compound_110	O[C@H]1C[C@@H]2[C@](C1(C)C)(O)[C@H](O)C[C@]1([C@H]3[C@H]([C@@]2(C)O)CC[C@@H]3[C@](C1)(C)O)O	0.853	0.746	0.014	0.481	0.812	0.676	0.807	0.144	0.293	0.873	0.508
Compound_111	CC1=C2CC[C@@H]3[C@H]([C@@]2(C[C@H]([C@]2([C@H]1C[C@@H](C2(C)C)O)O)O)C[C@@]3(C)O)O	0.929	0.89	0.079	0.611	0.856	0.68	0.693	0.189	0.289	0.855	0.17
Compound_112	CCC(=O)OC1[C@H]2CC[C@@H]3[C@]1(C[C@@H](O)[C@]1([C@H]([C@]3(C)O)C[C@@H](C1(C)C)O)O)C[C@@]2(C)O	0.795	0.713	0.016	0.653	0.781	0.673	0.533	0.619	0.226	0.896	0.444
Compound_113	CCC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@@H](O)[C@]1([C@H](C3=C)C[C@@H](C1(C)C)O)O)C[C@@]2(C)O	0.9	0.877	0.046	0.654	0.801	0.673	0.607	0.838	0.259	0.939	0.702
Compound_114	CC(C(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@@H](O)[C@@]1([C@H]([C@@]3(C)O)[C@H]3[C@@H](C1(C)C)O3)O)C[C@@]2(C)O)O	0.773	0.881	0.01	0.543	0.791	0.674	0.659	0.631	0.349	0.897	0.318
Compound_115	CCC(=O)O[C@@H]1[C@@H](O)[C@@]23C[C@@]([C@@H]([C@H]2O)CC[C@H]3[C@@]([C@H]2[C@@]1(O)C(C)(C)[C@H](C2)O)(C)O)(C)O	0.795	0.723	0.031	0.63	0.791	0.677	0.683	0.77	0.245	0.903	0.446
Compound_116	CCC(=O)O[C@@H]1[C@@H](OC(=O)C)[C@@]2(O)[C@H]([C@]([C@H]3[C@]41C[C@@]([C@@H]([C@H]4O)CC3)(C)O)(C)O)C[C@@H](C2(C)C)O	0.889	0.732	0.024	0.614	0.791	0.677	0.683	0.836	0.271	0.319	0.714
Compound_117	CCC(=O)O[C@@H]1[C@@H](O)[C@@]2(O)[C@H]([C@]([C@H]3[C@]41C[C@@]([C@@H]([C@H]4O)CC3)(C)O)(C)O)C[C@@H](C2(C)C)O	0.836	0.713	0.02	0.565	0.791	0.677	0.683	0.629	0.245	0.896	0.444
Compound_118	CCC(=O)O[C@@H]1[C@H]2CC[C@@]3([C@@]1(C[C@@]2(C)O)[C@H](OC(=O)C)[C@@H](O)[C@]1([C@H]([C@]3(C)O)[C@H]2[C@@H](C1(C)C)O2)O)O	0.861	0.87	0.005	0.599	0.83	0.68	0.729	0.522	0.331	0.647	0.77
Compound_119	CCC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@@]1(C[C@@]2(C)O)[C@H](O)[C@@H](OC(=O)C)[C@]1([C@H]([C@]3(C)O)C[C@@H](C1(C)C)O)O	0.857	0.732	0.026	0.621	0.791	0.677	0.683	0.898	0.271	0.319	0.714
Compound_120	CCC(=O)O[C@@H]1[C@@H](OC(=O)C)[C@@]2(O)[C@H](C(=C)[C@H]3[C@]41C[C@@]([C@@H]([C@H]4O)CC3)(C)O)C[C@@H](C2(C)C)O	0.94	0.877	0.066	0.634	0.808	0.677	0.744	0.936	0.304	0.706	0.841
Compound_121	CCC(=O)O[C@@H]1C2CCC3C1(C[C@@]2(C)O)[C@H](O)[C@@H](OC(=O)C)[C@]1([C@H]([C@]3(C)O)C[C@@H](C1(C)C)O)O	0.857	0.732	0.026	0.621	0.791	0.677	0.683	0.898	0.271	0.319	0.714
Compound_122	CC(=O)O[C@@H]1[C@@H](O)[C@@]23C[C@@]([C@@H]([C@H]2O)CC[C@]3([C@@]([C@H]2[C@@]1(O)C(C)(C)[C@@H]1[C@H]2O1)(C)O)O)(C)O	0.88	0.881	0.008	0.522	0.834	0.682	0.729	0.308	0.77	0.897	0.318
Compound_123	CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@@H](OC(=O)C)[C@]1([C@H]([C@]3(C)O)[C@H]3[C@@H](C1(C)C)O3)O)C[C@@]2(C)O	0.891	0.91	0.035	0.479	0.832	0.676	0.9	0.809	0.725	0.239	0.654
Compound_124	CC(=O)O[C@@H]1C[C@@]23C[C@@]([C@@H]([C@H]2O)CC[C@H]3[C@@]([C@H]2[C@@]1(O)C(C)(C)[C@@H]1[C@H]2O1)(C)O)(C)O	0.88	0.901	0.018	0.497	0.823	0.675	0.786	0.641	0.715	0.862	0.321
Compound_125	CC(=O)O[C@@H]1C[C@@]23C[C@@]([C@@H]([C@H]2OC(=O)C)CC[C@H]3[C@@]([C@H]2[C@@]1(O)C(C)(C)[C@H](C2)O)(C)O)(C)O	0.855	0.732	0.021	0.583	0.796	0.68	0.683	0.733	0.63	0.112	0.53
Compound_126	CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@@H](O)[C@]1([C@H]([C@]3(C)O)[C@H]3[C@@H](C1(C)C)O3)O)C[C@@]2(C)O	0.826	0.881	0.01	0.516	0.821	0.674	0.66	0.481	0.639	0.897	0.318
Compound_127	O[C@@H]1[C@H]2[C@](C)(O)[C@@H]3CC[C@@H]4[C@H]([C@@]3(C[C@H]([C@@]2(C([C@H]1O)(C)C)O)O)C[C@@]4(C)O)O	0.853	0.725	0.036	0.482	0.756	0.671	0.52	0.072	0.317	0.858	0.363
Compound_128	CC(=O)O[C@@H]1C[C@@]23C[C@@]([C@@H]([C@H]2OC(=O)C)CC[C@H]3[C@@]([C@H]2[C@@]1(O)C(C)(C)[C@H]([C@@H]2O)O)(C)O)(C)O	0.855	0.723	0.018	0.467	0.796	0.676	0.683	0.733	0.656	0.105	0.549
Compound_129	CO[C@@H]1[C@H](O)C([C@@]2([C@@H]1C(=C)[C@@H]1CC[C@@H]3[C@H]([C@@]1(C[C@H]2O)C[C@@]3(C)O)O)O)(C)C	0.84	0.87	0.061	0.495	0.79	0.674	0.623	0.802	0.477	0.494	0.803
Compound_130	OCCC(=C)C(=O)OC[C@H]1O[C@@H](OC(=O)C(=C)CCO)[C@@H]([C@H]([C@@H]1O)O)O	0.605	0.429	0.036	0.582	0.48	0.477	0.802	0.35	0.589	0.805	0.168
Compound_131	CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@@H](O)[C@]1([C@H](C3=C)[C@@H]([C@@H](C1(C)C)O)O)O)C[C@@]2(C)O	0.905	0.887	0.041	0.543	0.806	0.674	0.607	0.848	0.651	0.801	0.548
Compound_132	C=C1[C@@H]2CC[C@@H]3[C@H]([C@@]2(C[C@H]([C@]2([C@H]1[C@H](O)[C@@H](C2(C)C)O)O)O)C[C@@]3(C)O)O	0.906	0.87	0.104	0.535	0.771	0.671	0.5	0.569	0.408	0.883	0.73
Compound_133	C=C1[C@@H]2CC[C@@H]3[C@H]([C@]2(C=C3C)C[C@H]([C@]2([C@H]1C[C@@H](C2(C)C)O)O)O)O	0.923	0.836	0.091	0.6	0.787	0.678	0.398	0.965	0.393	0.846	0.795
Compound_134	COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](OCCc3ccc(cc3)O)[C@@H]([C@H]([C@@H]2O)O)O)ccc1O	0.73	0.499	0.23	0.736	0.895	0.33	0.277	0.421	0.681	0.304	0.186
Compound_135	OC[C@H]1O[C@@H](O[C@H]2C[C@@H]3[C@](C2(C)C)(O)[C@H](O)C[C@]24[C@H](C3=C)CC[C@H](C2)[C@](C4)(C)O)[C@@H]([C@H]([C@@H]1O)O)O	0.717	0.96	0.036	0.465	0.783	0.678	0.491	0.235	0.668	0.538	0.531
Compound_136	O=C(OC[C@]12O[C@H]1[C@H]([C@H]1[C@@H]2[C@H](O)OC=C1)O)C=Cc1ccccc1	0.896	0.542	0.035	0.698	0.913	0.707	0.959	0.679	0.517	0.613	0.815
Compound_137	OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@@H]3[C@H]2[C@@]2(COC(=O)/C=C/c4ccccc4)O[C@H]2[C@H]3O)[C@@H]([C@H]([C@@H]1O)O)O	0.744	0.419	0.011	0.559	0.915	0.703	0.944	0.183	0.574	0.77	0.412
Compound_138	OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@@H]3[C@H]2[C@@]2(COC(=O)C=Cc4ccccc4)O[C@H]2[C@H]3O)[C@@H]([C@H]([C@@H]1O)O)O	0.744	0.419	0.011	0.559	0.915	0.703	0.944	0.183	0.574	0.77	0.412
Compound_139	COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(O)c(cc1)OC	0.261	0.7	0.233	0.236	0.095	0.334	0.005	0.061	0.33	0.064	0.25
Compound_140	C=CC1(C)OC1CC=C(C)C	0.966	0.298	0.206	0.623	0.646	0.178	0.554	0.997	0.765	0.996	0.974
Compound_141	C=CC(C(=C)C)/C=C(/CO)\C	0.58	0.151	0.155	0.587	0.277	0.042	0.186	0.956	0.435	0.576	0.935
Compound_142	C=CC(C(=C)C)/C=C(/COC(=O)C)\C	0.866	0.074	0.522	0.718	0.538	0.061	0.986	0.999	0.889	0.993	0.953
Compound_143	C=C/C(=C/CCC(=C)C)/C	0.859	0.088	0.76	0.579	0.201	0.024	0.943	0.991	0.853	0.992	0.942
Compound_144	CC1=C[C@@H]2[C@@H](CC1)[C@](C)(O)CC[C@H]2C(C)C	0.964	0.688	0.08	0.542	0.393	0.09	0.087	0.805	0.396	0.987	0.885
Compound_145	CC(=O)O[C@@H]1[C@@H]2CC=C([C@H]1C2(C)C)C	0.932	0.378	0.256	0.551	0.742	0.589	0.134	0.997	0.639	0.998	0.829
Compound_146	OC1C=C2C(C1)OC(=O)C=C2	0.925	0.468	0.36	0.637	0.801	0.71	0.873	0.975	0.798	0.708	0.056
Compound_147	CC([C@@]12CC[C@@]3([C@H]([C@H]2O1)O3)C)C	0.964	0.299	0.026	0.487	0.92	0.195	0.947	0.563	0.635	0.843	0.636
Compound_148	COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c2OCOc2cc1	0.358	0.752	0.675	0.197	0.107	0.478	0.01	0.074	0.284	0.277	0.718
Compound_149	C1Oc2c(O1)cc1c(c2)ccc2c1ncc1c2ccc2c1OCO2	0.495	0.653	0.995	0.585	0.857	0.751	0.917	0.91	0.511	0.987	0.958
Compound_150	C=C1CC[C@@]2([C@H]1C2)C(C)C	0.986	0.393	0.611	0.569	0.628	0.064	0.647	0.977	0.731	0.992	0.891
Compound_151	CC(=O)OC1CC2(C(C1C)C2)C(C)C	0.938	0.41	0.06	0.483	0.648	0.2	0.099	0.544	0.567	0.875	0.439
Compound_152	CC1=CC(=O)C2(C1C2)C(C)C	0.968	0.476	0.48	0.62	0.461	0.077	0.093	0.948	0.475	0.999	0.932
Compound_153	OC[C@H]1O[C@@H](O[C@@]23C[C@@H]4[C@@]3(COC(=O)c3ccccc3)C(=O)O[C@@]2(C)C[C@H]4O)[C@@H]([C@H]([C@@H]1O)O)O	0.357	0.711	0.017	0.519	0.924	0.679	0.987	0.107	0.511	0.538	0.633
Compound_154	OC[C@H]1O[C@@H](O[C@@]23C[C@@H]4[C@@]3(COC(=O)c3ccc(cc3)O)[C@@H]3O[C@@]2(C)C[C@]4(O3)O)[C@@H]([C@H]([C@@H]1O)O)O	0.588	0.716	0.189	0.509	0.975	0.69	0.992	0.089	0.68	0.913	0.412
Compound_155	O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)COC(=O)c1ccccc1)O[C@@]12C[C@@H]3[C@@]2(COC(=O)c2ccccc2)[C@@H]2O[C@@]1(C)C[C@]3(O2)O	0.406	0.729	0.043	0.514	0.943	0.681	0.977	0.085	0.667	0.64	0.735
Compound_156	O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)COC(=O)c1ccccc1)O[C@@]12C[C@@H]3[C@@]2(COC(=O)c2ccc(cc2)O)[C@@H]2O[C@@]1(C)C[C@]3(O2)O	0.494	0.736	0.062	0.551	0.986	0.698	0.993	0.075	0.701	0.78	0.792
Compound_157	O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)COC(=O)c1cc(O)c(c(c1)O)O)O[C@]12C[C@H]3[C@@]2(COC(=O)c2ccccc2)[C@@H]2O[C@@]1(C)C[C@]3(O2)O	0.655	0.746	0.053	0.515	0.99	0.673	0.989	0.161	0.597	0.738	0.847
Compound_158	O=C(c1ccccc1)OC[C@H]1[C@H]2O[C@@]3([C@](O2)(C[C@H]1C(=O)C3)O)C	0.453	0.7	0.017	0.564	0.719	0.897	0.99	0.106	0.399	0.078	0.507
Compound_159	CCC(CC(=O)O[C@H]1C=C2C(=CO[C@H]([C@@H]2C[C@@]21OC2)OC(=O)CC(C)C)COC(=O)C)C	0.866	0.844	0.095	0.572	0.886	0.783	0.993	0.967	0.697	0.968	0.38
Compound_160	CC(CC(=O)O[C@@H]1OC=C([C@@]2([C@H]1[C@@]1(CO1)[C@H](C2)OC(=O)C)O)COC(=O)C(C(C)C)OC(=O)CC(C)C)C	0.904	0.839	0.164	0.516	0.876	0.68	0.983	0.777	0.347	0.909	0.431
Compound_161	OCCC(=C)C(=O)OC[C@H]1O[C@@H](O)[C@@H]([C@H]([C@@H]1O)O)O	0.811	0.389	0.023	0.718	0.432	0.576	0.19	0.941	0.586	0.828	0.057
Compound_162	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@H]3[C@H]2[C@](O)(C=C3)COC(=O)/C=C/c2ccc(cc2)O)C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O	0.723	0.579	0.013	0.527	0.926	0.867	0.901	0.295	0.607	0.862	0.585
Compound_163	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@]3([C@H]2[C@@](C)(O)[C@H](C3)OC(=O)/C=C/c2ccccc2)O)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O	0.774	0.76	0.043	0.607	0.908	0.717	0.902	0.603	0.464	0.118	0.75
Compound_164	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@]3([C@H]2[C@@](C)(O)[C@H](C3)OC(=O)/C=C/c2ccc(cc2)OC)O)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O	0.779	0.72	0.029	0.634	0.933	0.722	0.889	0.508	0.579	0.45	0.95
Compound_165	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@H]3[C@H]2[C@@](C)(O)CC3)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O	0.666	0.802	0.012	0.5	0.838	0.685	0.889	0.706	0.511	0.15	0.077
Compound_166	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@H]3[C@H]2[C@@](C)(O)CC3)C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O	0.636	0.77	0.008	0.312	0.844	0.628	0.876	0.28	0.396	0.413	0.051
Compound_167	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@H]3[C@H]2[C@H](C)[C@H](C3)O)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O	0.693	0.557	0.027	0.493	0.82	0.657	0.748	0.817	0.526	0.15	0.177
Compound_168	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@]3([C@H]2[C@@](C)(O)CC3)O)C=O)[C@@H]([C@H]([C@@H]1O)O)O	0.603	0.77	0.008	0.552	0.864	0.71	0.812	0.258	0.493	0.413	0.051
Compound_169	OCC1=C[C@H]([C@]2([C@@H]1[C@@H](OC=C2)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O	0.555	0.632	0.034	0.49	0.739	0.582	0.272	0.363	0.705	0.742	0.225
Compound_170	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@]3([C@H]2[C@H](C)CC3)O)C=O)[C@@H]([C@H]([C@@H]1O)O)O	0.624	0.77	0.011	0.578	0.787	0.785	0.81	0.25	0.556	0.413	0.051
Compound_171	O=CC1=CO[C@H]([C@H]2[C@@H]1CC[C@H]2C)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.637	0.494	0.014	0.577	0.491	0.723	0.649	0.548	0.47	0.31	0.063
Compound_172	OC[C@H]1O[C@@H](OCC2=CO[C@H]([C@H]3[C@@H]2CC(=O)[C@@H]3C)OC(=O)CC(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.656	0.727	0.135	0.463	0.682	0.701	0.3	0.612	0.42	0.647	0.649
Compound_173	OC[C@H]1O[C@@H](OCC2=CO[C@H]3[C@@H]([C@@H]2CC(=O)O3)C=C)[C@@H]([C@H]([C@@H]1O)O)O	0.589	0.447	0.029	0.486	0.727	0.666	0.393	0.824	0.496	0.662	0.268
Compound_174	OC[C@H]1O[C@@H](OCC2=CO[C@H]([C@H]3[C@@H]2C[C@@H]([C@@H]3C)O)OC(=O)CC(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.732	0.709	0.199	0.47	0.78	0.613	0.7	0.581	0.591	0.689	0.16
Compound_175	OCC1O[C@@H](OCC2=CO[C@H]([C@H]3[C@@H]2CC(=O)[C@@H]3C)OC(=O)CC(C)C)[C@H](C([C@@H]1OC1OCC(C1O)(O)CO)O)O	0.687	0.862	0.059	0.499	0.747	0.747	0.795	0.613	0.375	0.857	0.665
Compound_176	O=CC[C@H]1[C@@H](OC=C([C@H]1CC(=O)OCCc1ccc(c(c1)O)O)C(=O)OC)O[C@@H]1OC(CO)[C@H](C([C@@H]1O)O)O	0.575	0.566	0.038	0.563	0.758	0.52	0.31	0.72	0.368	0.719	0.621
Compound_177	O=CC[C@H]1[C@@H](OC=C([C@H]1CC(=O)OCCc1ccc(cc1)O)C(=O)OC)O[C@@H]1OC(CO)[C@H](C([C@@H]1O)O)O	0.54	0.587	0.045	0.579	0.689	0.901	0.876	0.704	0.416	0.774	0.487
Compound_178	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@H](/C/2=C\C)CC(=O)OCCc2ccc(cc2)O)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O	0.614	0.685	0.06	0.576	0.761	0.91	0.931	0.716	0.643	0.777	0.597
Compound_179	O=C1C[C@@]2(CC=C1C)[C@@H](C)CC[C@H]2C(C)C	0.994	0.675	0.244	0.705	0.409	0.412	0.009	0.94	0.291	1.0	0.89
Compound_180	C/C/1=C/CCC(=CC(=O)[C@@H](CC1)C(C)C)C	0.951	0.222	0.851	0.639	0.357	0.253	0.302	0.799	0.559	1.0	0.5
Compound_181	CC(=O)O[C@H]1C(=O)C(=CCCC(=C)[C@@H]2[C@@H]1C(C2)(C)C)C	0.952	0.428	0.708	0.528	0.441	0.636	0.86	0.993	0.369	0.986	0.736
Compound_182	C=C1CC/C=C(\C(=O)[C@@H]([C@@H]2[C@@H]1CC2(C)C)O)/C	0.953	0.467	0.381	0.609	0.43	0.639	0.726	0.994	0.253	0.929	0.769
Compound_183	C=C1CCC=C(C(=O)C[C@@H]2[C@@H]1CC2(C)C)C	0.982	0.389	0.397	0.593	0.556	0.631	0.371	0.996	0.422	1.0	0.904
Compound_184	C=C1CC/C=C(\C(=O)C[C@@H]2[C@@H]1CC2(C)C)/C	0.982	0.389	0.397	0.593	0.556	0.631	0.371	0.996	0.422	1.0	0.904
Compound_185	OC[C@H]1O[C@@H](O[C@@]23C=C(C)C4([C@@]([C@H]3C(=O)C(C2)(C)C)(C)O)CC4)[C@@H]([C@H]([C@@H]1O)O)O	0.743	0.762	0.006	0.637	0.91	0.793	0.247	0.178	0.392	0.51	0.24
Compound_186	C/C=C(/C(=O)O[C@]1(C)[C@H](O)C[C@@H]2[C@@H](C3C41OO[C@]3(C=C4)C)OC(=O)C2=C)\C	0.912	0.529	0.053	0.573	0.789	0.292	0.964	0.997	0.578	0.756	0.838
Compound_187	C/C(=C\CC1COC(=O)C1=C)/CC(=O)C=C(C)C	0.777	0.389	0.252	0.7	0.397	0.14	0.971	0.973	0.823	0.995	0.927
Compound_188	C=C1C(=O)O[C@H]2[C@@H]1C[C@]1(C)C(=O)CC[C@]1([C@H](C2)C)O	0.87	0.868	0.102	0.461	0.811	0.448	0.651	0.87	0.278	0.869	0.865
Compound_189	OC/C/1=C\[C@@H](O)[C@H]2[C@H](CC(=CCC1)C)OC(=O)C2=C	0.878	0.591	0.065	0.533	0.546	0.485	0.571	0.733	0.719	0.722	0.575
Compound_190	O=C1C=C[C@@]23[C@](O1)(C)[C@@H]1OC(=O)C(=C)[C@@H]1CC[C@]3(O2)C	0.966	0.714	0.059	0.647	0.813	0.355	0.98	0.999	0.685	0.212	0.769
Compound_191	OC/C/1=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@H](CC(=CCC1)C)OC(=O)C(CO)C	0.912	0.666	0.012	0.493	0.657	0.499	0.941	0.72	0.71	0.924	0.823
Compound_192	CCC(C(=O)O[C@H]1[C@H]2[C@@H](C[C@H]([C@H]3[C@@]1(C)C(=O)C=C3)C)OC(=O)C2=C)C	0.947	0.489	0.532	0.62	0.735	0.259	0.981	0.995	0.391	0.984	0.922
Compound_193	CC(CC(=O)O[C@H]1[C@H]2[C@@H](C[C@H]([C@H]3[C@@]1(C)C(=O)C=C3)C)OC(=O)[C@H]2C)C	0.92	0.41	0.657	0.568	0.711	0.183	0.983	0.99	0.322	0.961	0.814
Compound_194	C/C=C(/C(=O)O[C@H]1[C@H]2[C@@H](C[C@H]([C@H]3[C@@]1(C)C(=O)C=C3)C)OC(=O)[C@H]2C)\C	0.945	0.493	0.179	0.581	0.737	0.255	0.979	0.991	0.388	0.954	0.947
Compound_195	C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@]([C@H]1C2=C(C)[C@H]2[C@@H]1[C@@H]1[C@@H]3[C@]2(C(=C1)C)[C@H]1OC(=O)[C@H]([C@@H]1CC[C@]3(C)O)C)(C)O	0.874	0.764	0.031	0.537	0.764	0.61	0.794	0.959	0.35	0.93	0.438
Compound_196	C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@]([C@H]1C2=C(C)[C@H]2[C@@H]1[C@@H]1[C@@H]3[C@@]42[C@H]2OC(=O)[C@H]([C@@H]2CC[C@@]3(O[C@@]4([C@@H]1O)C)C)C)(C)O	0.975	0.862	0.029	0.581	0.75	0.649	0.639	0.484	0.467	0.42	0.335
Compound_197	C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@]([C@H]1C2=C(C)[C@H]2[C@@H]1[C@@H]1[C@@H]3[C@@]42[C@H]2OC(=O)[C@H]([C@@H]2CC[C@@]3(O[C@]4(C1)C)C)C)(C)O	0.952	0.958	0.078	0.63	0.747	0.636	0.829	0.706	0.437	0.981	0.489
Compound_198	C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@](C1=C2[C@@](C)(O)CC1=O)(C)O	0.893	0.86	0.021	0.457	0.925	0.236	0.752	0.593	0.42	0.956	0.421
Compound_199	C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@](C1=C2[C@](C)(O)CC1=O)(C)O	0.893	0.86	0.021	0.457	0.925	0.236	0.752	0.593	0.42	0.956	0.421
Compound_200	CC1=CC[C@H](O)C(=C[C@@H]2[C@@H](CC1)[C@@H](C)C(=O)O2)C	0.817	0.624	0.029	0.505	0.583	0.418	0.306	0.82	0.441	0.999	0.797
Compound_201	CC1=CCC(=O)[C@@H](C)C[C@@H]2[C@@H](CC1)[C@@H](C)C(=O)O2	0.898	0.604	0.315	0.558	0.469	0.334	0.867	0.794	0.481	1.0	0.954
Compound_202	C/C/1=C\C[C@@H](O)[C@H](C[C@@H]2[C@@H](CC1)[C@@H](C)C(=O)O2)C	0.898	0.645	0.065	0.536	0.512	0.361	0.73	0.876	0.399	0.998	0.744
Compound_203	C[C@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1([C@@H]2[C@H](C)C(=O)C[C@H]1O)C	0.659	0.923	0.016	0.515	0.55	0.648	0.402	0.231	0.4	0.687	0.736
Compound_204	CC1=C[C@H]2OC(=O)C(=C)[C@@H]2CCC(=C)[C@@H](CC1)O	0.909	0.554	0.027	0.577	0.69	0.528	0.91	0.985	0.553	0.977	0.391
Compound_205	OO[C@@H]1CCC(=C[C@@H]2[C@@H](CCC1=C)C(=C)C(=O)O2)C	0.918	0.569	0.156	0.561	0.625	0.499	0.967	0.986	0.608	0.986	0.676
Compound_206	C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1([C@@H]2[C@](C)(O)C=CC1=O)C	0.934	0.735	0.11	0.582	0.832	0.806	0.4	0.599	0.428	0.785	0.725
Compound_207	OCC(=C)C(=O)O[C@H]1CC(=C)[C@H]2[C@@H]([C@@H]3[C@@H]1C(=C)C(=O)O3)C(=C)[C@H](C2)O	0.918	0.432	0.036	0.562	0.793	0.36	0.952	0.812	0.629	0.818	0.858
Compound_208	OCC(=C)C(=O)O[C@H]1CC(=C)[C@H]2[C@@H]([C@@H]3[C@@H]1C(=C)C(=O)O3)C(=C)C(=O)C2	0.945	0.402	0.039	0.559	0.719	0.536	0.903	0.948	0.534	0.801	0.913
Compound_209	C[C@@H]1C(=O)C[C@@H]2[C@H]1[C@H]1OC(=O)C(=C)[C@@H]1[C@H](CC2=C)O	0.867	0.423	0.036	0.608	0.54	0.366	0.548	0.941	0.541	0.939	0.804
Compound_210	OC[C@@]1(O)C(=O)O[C@H]2[C@H]1CCC(=C)[C@H]1[C@@H]2[C@H](C)[C@H](C1)O	0.795	0.819	0.067	0.537	0.586	0.135	0.362	0.747	0.207	0.323	0.583
Compound_211	OCC(=CC(=O)O[C@@H]1C/C(=C/CCC(=C[C@@H]2[C@@H]1C(=C)C(=O)O2)C)/C)CO	0.923	0.679	0.027	0.499	0.588	0.515	0.941	0.778	0.792	0.956	0.873
Compound_212	CC1=C[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](C/C(=C/CC1)/C)O	0.879	0.639	0.046	0.578	0.506	0.467	0.626	0.974	0.781	0.996	0.789
Compound_213	CC(=O)O[C@@H]1/C=C(/C)\CCC=C(C[C@H]2[C@H]1C(=C)C(=O)O2)C	0.92	0.639	0.125	0.529	0.541	0.444	0.995	0.982	0.875	0.999	0.98
Compound_214	C=C1CC[C@H]([C@]2([C@H]1[C@H]1OC(=O)C(=C)[C@@H]1CC2)C)O	0.93	0.98	0.065	0.685	0.762	0.472	0.637	0.957	0.797	0.992	0.519
Compound_215	CC1=CC[C@H]([C@]2([C@H]1[C@H]1OC(=O)C(=C)[C@@H]1CC2)C)O	0.955	0.99	0.058	0.653	0.743	0.735	0.423	1.0	0.808	0.99	0.627
Compound_216	OC[C@@H]1C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)/C(=C\C)/C)C[C@@]2([C@@H](C[C@@H]1O)O2)C	0.958	0.794	0.002	0.659	0.833	0.534	0.99	0.963	0.563	0.686	0.944
Compound_217	OC[C@@H]1C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)/C(=C\C)/C)C[C@@]2([C@@H](CC1=O)O2)C	0.951	0.754	0.005	0.643	0.854	0.552	0.992	0.931	0.53	0.653	0.968
Compound_218	C/C=C(\C(=O)O[C@@H]1C[C@]2(C)CC[C@@](O2)(C(=C[C@@H]2[C@@H]1C(=C)C(=O)O2)CO)O)/C	0.928	0.855	0.003	0.585	0.815	0.625	0.987	0.959	0.635	0.58	0.949
Compound_219	C/C=C(\C(=O)O[C@@H]1C[C@@]2(C)O[C@](C[C@@H]2O)(C(=C[C@@H]2[C@@H]1C(=C)C(=O)O2)C)O)/C	0.906	0.774	0.001	0.532	0.849	0.63	0.973	0.998	0.7	0.527	0.9
Compound_220	C/C/1=C/[C@H]2OC(=O)C(=C)[C@@H]2C[C@@H](C(=CCC1)C)O	0.833	0.571	0.023	0.561	0.711	0.478	0.733	0.975	0.596	0.968	0.607
Compound_221	C/C=C(\C(=O)O[C@@H]1C[C@@](C)(O)/C=C/C(=O)C(=C[C@@H]2[C@@H]1C(=C)C(O2)O)CO)/C	0.858	0.541	0.006	0.61	0.747	0.609	0.99	0.795	0.641	0.906	0.864
Compound_222	COc1c(OC)cc2c3c1Oc1cc4c(cc1OC)CCN([C@H]4Cc1ccc(Oc4cc(C[C@H]3N(CC2)C)ccc4OC)cc1)C	0.298	0.756	0.219	0.183	0.621	0.887	0.62	0.015	0.129	0.109	0.418
Compound_223	O=C1O[C@@H]2[C@H](C1=C)CC[C@@H]([C@@]1([C@@]2(C)C(=O)C=C1)O)C	0.947	0.606	0.564	0.659	0.77	0.307	0.857	0.996	0.36	0.399	0.779
Compound_224	OC[C@H]1CC[C@@H]2[C@H]([C@]3([C@H]1CC[C@@H]3OC(=O)C)C)OC(=O)C2=C	0.944	0.834	0.005	0.508	0.78	0.381	0.881	0.898	0.434	0.392	0.951
Compound_225	C[C@H]1CC[C@@H]2[C@H]([C@]3([C@H]1CCC3=O)C)OC(=O)C2=C	0.951	0.831	0.107	0.571	0.679	0.329	0.336	0.895	0.281	0.993	0.951
Compound_226	O=C1O[C@H]2[C@H](C1=C)CC[C@@]1([C@]2(O)C(=C)CC[C@H]1O)C	0.914	0.98	0.04	0.708	0.888	0.6	0.83	0.93	0.881	0.882	0.293
Compound_227	CC1=C[C@@H](O)[C@H]2[C@H](/C=C(\[C@H](CC1)O)/C)OC(=O)C2=C	0.847	0.52	0.046	0.551	0.599	0.519	0.782	0.969	0.671	0.738	0.382
Compound_228	CC1=C[C@@H](O)[C@H]2[C@H](CC(=C)[C@@H](CC1)O)OC(=O)C2=C	0.906	0.626	0.089	0.549	0.628	0.499	0.787	0.977	0.776	0.979	0.353
Compound_229	C/C=C(\C(=O)O[C@@H]1CC(C)(C)C[C@@H]2[C@]1(CC[C@@]1(C2=CC[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)CCC(=O)[C@]1(C)CO)C)C(=O)O)/C	0.912	0.86	0.019	0.414	0.977	0.917	0.618	0.777	0.315	0.559	0.159
Compound_230	OO[C@@H]1CC[C@@]2(CC1=CC[C@@H]1[C@@H]([C@H]2O)OC(=O)C1=C)C	0.865	0.784	0.027	0.662	0.768	0.398	0.786	0.999	0.571	0.781	0.207
Compound_231	CC(=O)O[C@@H]1C=C(C)CC[C@@H]2[C@](C[C@H]3[C@H]1C(=C)C(=O)O3)(C)O2	0.954	0.855	0.035	0.575	0.833	0.507	0.999	0.986	0.75	0.999	0.992
Compound_232	O[C@H]1CC[C@]2([C@H](O1)[C@H]1OC(=O)C(=C)[C@@H]1CCC(=O)C2)C	0.897	0.85	0.041	0.58	0.62	0.554	0.926	0.976	0.411	0.732	0.673
Compound_233	C=C1C(=O)O[C@H]2[C@H]1CC[C@@]1([C@@H]2[C@@](C)(O)CC[C@H]1O)C	0.961	0.99	0.011	0.684	0.8	0.645	0.806	0.932	0.579	0.987	0.684
Compound_234	C=C1C(=O)O[C@H]2[C@H]1CC[C@@]1(C2=C(C)C(=O)C[C@H]1O)C	0.901	1.0	0.018	0.586	0.745	0.79	0.667	0.895	0.46	0.841	0.371
Compound_235	C/C=C(\C(=O)O[C@H]1[C@H]2[C@@H](OC(=O)C2=C)C[C@@]2([C@@H]1C(=C)CC[C@H]2O)C)/C	0.943	0.97	0.069	0.664	0.918	0.666	0.747	0.999	0.842	0.988	0.949
Compound_236	O[C@H]1C[C@@H](O)C(=C)CC[C@@H]2[C@@H](/C=C\1/C)OC(=O)C2=C	0.892	0.641	0.027	0.635	0.651	0.512	0.787	0.995	0.553	0.947	0.451
Compound_237	O[C@H]1CC(=O)C(=C)CC[C@@H]2[C@H](/C=C\1/C)OC(=O)C2=C	0.84	0.616	0.023	0.596	0.697	0.544	0.908	0.984	0.52	0.981	0.845
Compound_238	C=C1CC[C@@H]2[C@@H]([C@@H]3[C@H]1C[C@@H]1[C@]3(O1)C)OC(=O)C2=C	0.959	0.758	0.099	0.509	0.792	0.311	0.913	0.899	0.568	0.978	0.836
Compound_239	C=C1C(=O)O[C@H]2[C@H]1CC[C@@]([C@]13[C@@H]2[C@]2(C)O[C@@H]2[C@@H]3O1)(C)O	0.968	0.749	0.009	0.56	0.818	0.647	0.715	0.845	0.511	0.513	0.329
Compound_240	C=C1C(=O)O[C@H]2[C@H]1CC[C@@]([C@@]13[C@@H]2[C@@]2(C)O[C@H]2[C@H]3O1)(C)O	0.968	0.749	0.009	0.56	0.818	0.647	0.715	0.845	0.511	0.513	0.329
Compound_241	O=C1O[C@H]2[C@@H](C1=C)C[C@@]1([C@](C2)(C)CCCC1=C)O	0.902	0.98	0.116	0.567	0.962	0.698	0.55	0.887	0.775	0.992	0.519
Compound_242	O[C@@H]1CC[C@]2([C@H](C1=C)C[C@H]1[C@@H](C2)OC(=O)C1=C)C	0.94	0.92	0.029	0.598	0.866	0.709	0.732	0.942	0.615	0.991	0.397
Compound_243	C=C1C(=O)O[C@@H]2[C@@H]1C[C@]1(C)C(=O)CC[C@H]1[C@@H](C2)C	0.948	0.832	0.036	0.547	0.651	0.374	0.39	0.838	0.281	0.998	0.943
Compound_244	CC(=O)CCC1=CC[C@H]2[C@@H](C[C@@H]1C)OC(=O)C2=C	0.904	0.6	0.367	0.708	0.521	0.145	0.977	0.981	0.495	0.999	0.892
Compound_245	C[C@H](C[C@H](C1=CC[C@H]2[C@H](C[C@@H]1C)OC(=O)C2=C)O)OC(=O)C	0.882	0.52	0.014	0.652	0.84	0.156	0.983	0.997	0.613	0.976	0.791
Compound_246	COc1cc2CCN([C@H](c2cc1O)Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]1N(C)CCc2c1cc(O)c(c2)OC)C	0.286	0.739	0.205	0.34	0.713	0.794	0.17	0.059	0.111	0.265	0.56
Compound_247	CC(=O)/C=C/C1=CC[C@H]2[C@H](C[C@@H]1C)OC(=O)C2=C	0.936	0.489	0.199	0.677	0.607	0.378	0.959	0.986	0.666	0.998	0.868
Compound_248	CC(=O)CCC1=CC[C@H]2[C@H](C[C@@H]1C)OC(=O)C2=C	0.904	0.6	0.367	0.708	0.521	0.145	0.977	0.981	0.495	0.999	0.892
Compound_249	OCC1=CC(=O)C2=C(C)C[C@@H]([C@@H]3[C@@H]([C@@H]12)OC(=O)C3=C)O	0.91	0.473	0.036	0.71	0.796	0.274	0.801	0.934	0.62	0.693	0.206
Compound_250	OCC1=CC(=O)C2=C(C)C[C@@H]([C@@H]3[C@@H]([C@@H]12)OC(=O)[C@H]3C)O	0.874	0.49	0.019	0.685	0.74	0.148	0.395	0.835	0.33	0.585	0.138
Compound_251	O=C(Cc1ccc(cc1)O)OCC1=CC(=O)C2=C(C)C[C@@H]([C@@H]3[C@@H]([C@@H]12)OC(=O)C3=C)O	0.825	0.539	0.079	0.768	0.928	0.809	0.984	0.988	0.591	0.954	0.18
Compound_252	OCC1=CC(=O)C2=C(C)C[C@@H]([C@@H]3[C@@H]([C@@H]12)OC(=O)C3=C)OC(=O)Cc1ccc(cc1)O	0.887	0.542	0.053	0.678	0.928	0.809	0.984	0.944	0.557	0.861	0.308
Compound_253	OCC1=CC(=O)C2=C(C)C[C@@H]([C@@H]3[C@@H]([C@@H]12)OC(=O)[C@H]3C)OC(=O)Cc1ccc(cc1)O	0.86	0.632	0.047	0.674	0.905	0.678	0.847	0.9	0.304	0.833	0.328
Compound_254	OCC1=CC(=O)C2=C(C)CC[C@@H]3[C@@H]([C@@H]12)OC(=O)[C@H]3C	0.852	0.588	0.083	0.584	0.784	0.167	0.606	0.216	0.352	0.655	0.303
Compound_255	O[C@H]1CC(=C2[C@@H]([C@@H]3[C@@H]1C(=C)C(=O)O3)C(=CC2=O)COC(=O)C(=O)O)C	0.859	0.498	0.015	0.497	0.601	0.341	0.942	0.973	0.377	0.511	0.108
Compound_256	O=C(Cc1ccc(cc1)O)O[C@H]1CC(=C2[C@@H]([C@@H]3[C@@H]1C(=C)C(=O)O3)C(=CC2=O)COC(=O)C(=O)O)C	0.844	0.573	0.048	0.496	0.843	0.647	0.986	0.965	0.367	0.86	0.151
Compound_257	OC[C@H]1O[C@@H](O[C@H]2C[C@@H]3[C@H](C2=C)[C@H]2OC(=O)[C@H]([C@@H]2C[C@H](C3=C)O)C)[C@@H]([C@H]([C@@H]1O)O)O	0.61	0.438	0.04	0.457	0.695	0.454	0.651	0.149	0.543	0.415	0.21
Compound_258	OC[C@H]1O[C@@H](O[C@H]2CC=C(C=O)CC[C@@H]3[C@@H](/C=C/2\C)OC(=O)[C@H]3C)[C@@H]([C@H]([C@@H]1O)O)O	0.647	0.644	0.023	0.41	0.572	0.64	0.902	0.071	0.64	0.139	0.671
Compound_259	OC[C@H]1O[C@@H](O[C@@H]2C[C@H]3[C@H](C)C(=O)O[C@@H]3[C@@H]3C(=C2C)C(=O)C=C3C)[C@@H]([C@H]([C@@H]1O)O)O	0.735	0.578	0.016	0.505	0.84	0.467	0.69	0.074	0.559	0.137	0.307
Compound_260	OC[C@H]1O[C@@H](OC2=C[C@@H]3C(=CC[C@@H]4[C@@]3(C)C(=O)C[C@]3([C@@]4(C)C[C@H]([C@@H]3[C@](C(=O)/C=C/C(O)(C)C)(O)C)O)C)C(C2=O)(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.688	0.96	0.014	0.602	0.888	0.889	0.682	0.12	0.431	0.161	0.151
Compound_261	CC(=O)OC(/C=C/C(=O)[C@@]([C@H]1[C@H](O)C[C@@]2([C@]1(C)CC(=O)[C@@]1([C@H]2CC=C2[C@H]1C[C@H](O)C(=O)C2(C)C)C)C)(O)C)(C)C	0.955	0.94	0.026	0.647	0.935	0.961	0.167	0.944	0.314	0.53	0.166
Compound_262	CC(=O)OC(CCC(=O)[C@@]([C@H]1[C@H](O)C[C@@]2([C@]1(C)CC(=O)[C@@]1([C@H]2CC=C2[C@H]1C[C@H](O)C(=O)C2(C)C)C)C)(O)C)(C)C	0.807	1.0	0.024	0.668	0.917	0.841	0.038	0.967	0.28	0.454	0.112
Compound_263	O[C@H]1C[C@@H]2C(=CC[C@@H]3[C@@]2(C)C(=O)C[C@]2([C@@]3(C)C[C@H]([C@@H]2[C@](C(=O)/C=C/C(O)(C)C)(O)C)O)C)C(C1=O)(C)C	0.959	0.95	0.037	0.647	0.882	0.949	0.055	0.744	0.252	0.313	0.248
Compound_264	O[C@H]1C[C@@H]2C(=CC[C@@H]3[C@@]2(C)C(=O)C[C@]2([C@@]3(C)C[C@H]([C@@H]2[C@](C(=O)CCC(O)(C)C)(O)C)O)C)C(C1=O)(C)C	0.866	1.0	0.016	0.682	0.747	0.831	0.01	0.813	0.195	0.253	0.174
Compound_265	CC(=O)OC(/C=C/C(=O)[C@@]([C@H]1[C@H](O)C[C@@]2([C@]1(C)CC(=O)[C@@]1([C@H]2CC=C2[C@H]1C=C(O)C(=O)C2(C)C)C)C)(O)C)(C)C	0.862	0.94	0.014	0.652	0.945	0.949	0.299	0.957	0.298	0.53	0.166
Compound_266	OC1=CC2C(=CCC3C2(C)C(=O)CC2(C3(C)CC(C2C(C(=O)CC(C(O)(C)C)O)(O)C)O)C)C(C1=O)(C)C	0.776	0.95	0.017	0.577	0.895	0.891	0.228	0.811	0.243	0.272	0.185
Compound_267	O=C1C[C@H](O[C@H]2[C@H]([C@@H]1C)[C@@]1(C)CC(=O)[C@@]3([C@H]([C@@]1(C2)C)CC=C1[C@H]3C=C(O)C(=O)C1(C)C)C)C(O)(C)C	0.77	0.96	0.019	0.53	0.968	0.885	0.544	0.952	0.276	0.6	0.61
Compound_268	CC(=O)OC(CCC(=O)[C@@]([C@H]1[C@H](O)C[C@@]2([C@]1(C)CC(=O)[C@@]1([C@H]2CC=C2[C@H]1C=C(O)C(=O)C2(C)C)C)C)(O)C)(C)C	0.775	1.0	0.013	0.657	0.939	0.894	0.377	0.973	0.263	0.454	0.112
Compound_269	C[C@@H]([C@H]1CC[C@@]2([C@]1(C)CC(=O)[C@@]1([C@H]2CC=C2[C@H]1CC[C@@H](C2(C)C)O)C)C)CCC(=O)C(O)(C)C	0.965	1.0	0.024	0.68	0.575	0.908	0.006	0.959	0.158	0.653	0.144
Compound_270	O=C1C[C@]2(C)[C@H](CC[C@]2([C@H]2[C@]1(C)[C@@H]1CC[C@@H](C(C1=CC2)(C)C)O)C)[C@]1(C)CC[C@H](O1)C(O)(C)C	0.917	1.0	0.007	0.615	0.92	0.953	0.231	0.974	0.196	0.861	0.383
Compound_271	C1Oc2c(O1)cc1c(c2)c2cc3cc4OCOc4cc3c[n+]2CC1	0.085	0.621	0.98	0.712	0.271	0.836	0.05	0.986	0.171	0.926	0.9
Compound_272	O[C@@H]1C[C@@]2([C@]([C@H]1[C@]1(C)CC[C@H](O1)C(O)(C)C)(C)CC(=O)[C@@]1([C@H]2CC=C2[C@H]1CC[C@@H](C2(C)C)O)C)C	0.925	1.0	0.007	0.663	0.929	0.939	0.116	0.948	0.181	0.798	0.415
Compound_273	OC[C@H]1O[C@@H](O[C@H]2C[C@H]3[C@]4(C)C(=O)C[C@]5([C@@]([C@@H]4CC=C3C(C2=O)(C)C)(C)C[C@H]([C@@H]5[C@](C(=O)/C=C/C(OC(=O)C)(C)C)(O)C)O)C)[C@@H]([C@H]([C@@H]1O)O)O	0.802	0.96	0.008	0.617	0.882	0.913	0.616	0.186	0.464	0.161	0.151
Compound_274	OC[C@H]1O[C@@H](O[C@H]2C[C@H]3[C@]4(C)C(=O)C[C@]5([C@@]([C@@H]4CC=C3C(C2=O)(C)C)(C)C[C@H]([C@@H]5[C@](C(=O)CCC(OC(=O)C)(C)C)(O)C)O)C)[C@@H]([C@H]([C@@H]1O)O)O	0.663	1.0	0.008	0.617	0.778	0.819	0.415	0.284	0.456	0.148	0.145
Compound_275	OC[C@H]1O[C@@H](O[C@H]2C[C@@H]3C(=CC[C@@H]4[C@@]3(C)C(=O)C[C@]3([C@@]4(C)C[C@H]([C@@H]3[C@](C(=O)/C=C/C(O)(C)C)(O)C)O)C)C(C2=O)(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.809	0.96	0.012	0.615	0.884	0.912	0.466	0.12	0.445	0.161	0.151
Compound_276	OC[C@H]1O[C@@H](O[C@H]2C[C@@H]3C(=CC[C@@H]4[C@@]3(C)C(=O)C[C@]3([C@@]4(C)C[C@H](C3[C@](C(=O)CCC(O)(C)C)(O)C)O)C)C(C2=O)(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.676	1.0	0.005	0.631	0.761	0.838	0.277	0.16	0.414	0.148	0.145
Compound_277	OC[C@H]1O[C@@H](OC2=C[C@H]3[C@]4(C)C(=O)C[C@]5([C@@]([C@@H]4CC=C3C(C2=O)(C)C)(C)C[C@H]([C@@H]5[C@](C(=O)/C=C/C(OC(=O)C)(C)C)(O)C)O)C)[C@@H]([C@H]([C@@H]1O)O)O	0.663	0.96	0.01	0.604	0.885	0.889	0.753	0.186	0.45	0.161	0.151
Compound_278	OC[C@H]1O[C@@H](OC([C@@H](CC[C@H]([C@H]2CC[C@@]3([C@]2(C)CC(=O)[C@@]2([C@H]3CC=C3[C@H]2CC[C@@H](C3(C)C)O)C)C)C)O)(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.774	1.0	0.003	0.602	0.871	0.887	0.221	0.393	0.437	0.478	0.032
Compound_279	OC[C@H]1O[C@@H](O[C@H]2CC[C@@H]3C(=CC[C@@H]4[C@@]3(C)C(=O)C[C@]3([C@@]4(C)CC[C@@H]3[C@@H](CC[C@H](C(O)(C)C)O)C)C)C2(C)C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O	0.758	1.0	0.002	0.606	0.896	0.918	0.247	0.236	0.446	0.654	0.045
Compound_280	OC[C@H]1O[C@@H](O[C@H]2CC[C@@H]3C(=CC[C@@H]4[C@@]3(C)C(=O)C[C@]3([C@@]4(C)CC[C@@H]3[C@@H](CC[C@H](C(O)(C)C)O)C)C)C2(C)C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)OC(=O)C	0.794	1.0	0.003	0.595	0.906	0.908	0.378	0.511	0.466	0.264	0.2
Compound_281	OC[C@H]1O[C@@H](O[C@H]2CC[C@@H]3[C@@]4(C2(C)C)O[C@H]4C[C@@H]2[C@@]3(C)C(=O)C[C@]3([C@@]2(C)CC[C@@H]3[C@@H](CC[C@H](C(O)(C)C)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.782	0.845	0.001	0.482	0.948	0.86	0.479	0.046	0.548	0.664	0.381
Compound_282	COc1cc2CCN([C@@H]3c2c(c1O)c1c(C3)ccc(c1OC)OC)C	0.16	0.801	0.533	0.319	0.248	0.299	0.011	0.805	0.178	0.072	0.253
Compound_283	OC[C@H]1O[C@@H](OC(C(CC([C@H]([C@H]2CC[C@@]3([C@]2(C)CC(=O)[C@@]2([C@H]3CC=C3[C@H]2CC[C@@H](C3(C)C)O)C)C)C)O)O)(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.774	1.0	0.003	0.586	0.871	0.887	0.221	0.393	0.472	0.478	0.032
Compound_284	OC[C@H]1O[C@@H](O[C@H]2CC[C@@H]3C(=CC[C@@H]4[C@@]3(C)C(=O)C[C@]3([C@@]4(C)CC[C@@H]3[C@@H](CCC(=O)C(O)(C)C)C)C)C2(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.737	1.0	0.003	0.61	0.714	0.873	0.13	0.283	0.44	0.148	0.173
Compound_285	OC[C@H]1O[C@@H](O[C@H]2CC[C@@H]3C(=CC[C@@H]4[C@@]3(C)C(=O)C[C@]3([C@@]4(C)CC[C@@H]3[C@@H](CCC(=O)C(O)(C)C)C)C)C2(C)C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O	0.752	1.0	0.002	0.634	0.769	0.907	0.147	0.241	0.46	0.264	0.23
Compound_286	OC[C@H]1O[C@@H](OC2=C[C@H]3[C@]4(C)C(=O)C[C@]5([C@@]([C@@H]4CC=C3C(C2=O)(C)C)(C)C[C@H]([C@@H]5[C@](C(=O)CCC(OC(=O)C)(C)C)(O)C)O)C)[C@@H]([C@H]([C@@H]1O)O)O	0.669	1.0	0.009	0.604	0.814	0.848	0.757	0.284	0.432	0.148	0.145
Compound_287	OC[C@H]1O[C@@H](O[C@H]2CC[C@@H]3C(=CC[C@@H]4[C@@]3(C)C(=O)C[C@]3([C@@]4(C)CC[C@@H]3[C@@H](CC[C@H](C(O)(C)C)O)C)C)C2(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.745	1.0	0.003	0.583	0.871	0.887	0.221	0.29	0.42	0.478	0.032
Compound_288	OC[C@H]1O[C@@H](O[C@H]2CC[C@@H]3C(=CC[C@@H]4[C@@]3(C)C(=O)C[C@]3([C@@]4(C)CC[C@@H]3[C@]3(C)CC[C@H](O3)C(O[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)(C)C)C)C2(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.729	1.0	0.003	0.536	0.918	0.927	0.4	0.386	0.477	0.846	0.095
Compound_289	O[C@@H]1COC(=O)C1=C	0.899	0.374	0.45	0.635	0.468	0.144	0.608	0.802	0.768	0.752	0.481
Compound_290	CN1Cc2c([C@@H]3[C@H]1c1cc4OCOc4cc1[C@H]([C@@H]3O)O)ccc1c2OCO1	0.559	0.703	0.57	0.188	0.432	0.441	0.008	0.04	0.199	0.418	0.745
Compound_291	C1Oc2c(O1)cc1c(c2)CCN2[C@@H]1Cc1ccc3c(c1C2)OCO3	0.302	0.713	0.799	0.108	0.12	0.693	0.006	0.044	0.273	0.95	0.682
Compound_292	OC1Cc2cc3OCOc3cc2[C@@H]2C1c1cc3OCOc3cc1CN2C	0.407	0.635	0.213	0.212	0.307	0.428	0.023	0.124	0.198	0.599	0.492
Compound_293	C1Oc2c(O1)cc1c(c2)CC[N+]2=Cc3c(CC12)ccc1c3OCO1	0.511	0.692	0.967	0.561	0.21	0.532	0.008	0.586	0.222	0.958	0.794
Compound_294	C1Oc2c(O1)cc1c(c2)CCN2[C@H]1Cc1ccc3c(c1C2)OCO3	0.302	0.713	0.799	0.108	0.12	0.693	0.006	0.044	0.273	0.95	0.682
Compound_295	C[N@+]12CCc3c([C@@H]2Cc2c(C1)c1OCOc1cc2)cc1c(c3)OCO1	0.302	0.716	0.744	0.573	0.101	0.656	0.012	0.739	0.238	0.324	0.525
Compound_296	O=C(OC[C@H]1O[C@H](O)[C@@H]([C@H]([C@@H]1O)O)OC(=O)CCN(=O)=O)CCN(=O)=O	0.463	0.393	0.027	0.669	0.157	0.412	0.005	0.627	0.466	0.394	0.406
Compound_297	COc1cc2CC[n+]3c(c2cc1OC)c(C)c1c(c3)c(OC)c(cc1)OC	0.138	0.704	0.928	0.762	0.152	0.884	0.017	0.991	0.628	0.011	0.794
Compound_298	COc1cc2c(cc1OC)C[C@H]1c3c2c(OC)c(O)cc3CCN1C	0.172	0.744	0.513	0.31	0.192	0.318	0.015	0.872	0.37	0.117	0.185
Compound_299	COc1cc2c(cc1O)C[C@H]1c3c2c(O)c(OC)cc3CCN1C	0.209	0.724	0.507	0.32	0.192	0.318	0.015	0.889	0.207	0.122	0.287
Compound_300	COc1cc2CCN([C@]3(c2cc1O)C(=O)c1c([C@@H]3O)c2OCOc2cc1)C	0.562	0.778	0.691	0.281	0.423	0.606	0.063	0.083	0.23	0.005	0.851
Compound_301	COc1c(OC)ccc2c1CN(C)CCc1c(C(=O)[C@H]2C)cc2c(c1)OCO2	0.217	0.698	0.667	0.238	0.565	0.69	0.251	0.026	0.163	0.049	0.855
Compound_302	O=C(OC[C@H]1O[C@@H](OC(=O)CCN(=O)=O)[C@@H]([C@H]([C@@H]1O)O)O)CCN(=O)=O	0.251	0.393	0.041	0.536	0.15	0.288	0.005	0.297	0.468	0.394	0.406
Compound_303	COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)OC	0.222	0.789	0.369	0.218	0.095	0.334	0.005	0.049	0.331	0.042	0.491
Compound_304	C[N+]1(C)[C@H]2Cc3c([C@@H]1Cc1c2cc2COCc2c1)cc1c(c3)OCO1	0.584	0.676	0.579	0.616	0.13	0.732	0.057	0.608	0.298	0.202	0.555
Compound_305	COc1cc2c(cc1OC)C[C@@H]1N([C@H]2Cc2c1cc1c(c2)OCO1)C	0.298	0.751	0.294	0.264	0.037	0.664	0.015	0.392	0.344	0.313	0.939
Compound_306	COc1cc2c(cc1OC)CCN1C2Cc2ccc3c(c2C1)OCO3	0.287	0.81	0.799	0.103	0.044	0.682	0.012	0.009	0.394	0.1	0.787
Compound_307	O=C(OC[C@H]1O[C@@H](OC(=O)CCN(=O)=O)[C@@H]([C@H]([C@@H]1O)O)OC(=O)CCN(=O)=O)CCN(=O)=O	0.366	0.383	0.035	0.612	0.15	0.288	0.005	0.572	0.466	0.392	0.397
Compound_308	COc1cc2CCN([C@]3(c2cc1O)Cc1c([C@H]3O)c2OCOc2cc1)C	0.527	0.792	0.258	0.175	0.357	0.545	0.003	0.069	0.104	0.143	0.85
Compound_309	CN1CCc2c([C@@]31Cc1c(C3=O)c3OCOc3cc1)cc1c(c2)OCO1	0.434	0.702	0.475	0.101	0.404	0.685	0.347	0.044	0.231	0.073	0.772
Compound_310	COc1cc2c(cc1OC)CCN([C@@]12Cc2c([C@@H]1O)c1OCOc1cc2)C	0.479	0.802	0.527	0.107	0.343	0.601	0.002	0.017	0.191	0.794	0.867
Compound_311	CN1CCc2c(C31Cc1c(C3O)c3OCOc3cc1)cc1c(c2)OCO1	0.505	0.709	0.527	0.105	0.459	0.613	0.002	0.005	0.09	0.257	0.626
Compound_312	COc1cc2CCN(C3(c2cc1O)Cc1c(C3OC(=O)C)c2OCOc2cc1)C	0.732	0.812	0.274	0.196	0.493	0.54	0.084	0.309	0.201	0.439	0.912
Compound_313	OCCC[C@@H]1/C(=C(\C=O)/C)/CC[C@]([C@@]1(C)CC/C=C(/[C@@H](C/C=C(/CCC=C(C)C)\C)O)\C)(C)O	0.933	0.553	0.051	0.63	0.595	0.65	0.92	0.1	0.216	0.64	0.451
Compound_314	COc1cc2Oc3c(OC)ccc4c3[C@H](Cc2cc1OC)N(C)CC4	0.278	0.786	0.268	0.182	0.492	0.515	0.009	0.012	0.447	0.08	0.432
Compound_315	O=C(OC[C@H]1O[C@H](O)[C@@H]([C@H]([C@@H]1O)OC(=O)CCN(=O)=O)OC(=O)CCN(=O)=O)CCN(=O)=O	0.476	0.373	0.027	0.655	0.157	0.412	0.005	0.61	0.466	0.293	0.381
Compound_316	COc1cc2CCN([C@H]3c2cc1Oc1c2c(CCN([C@H]2Cc2ccc(Oc4cc(C3)ccc4O)cc2)C)cc(c1OC)O)C	0.354	0.754	0.332	0.395	0.79	0.768	0.418	0.071	0.148	0.277	0.5
Compound_317	COc1c(O)cc2c3c1Oc1cc4c(cc1OC)CCN([C@H]4Cc1ccc(Oc4cc(C[C@H]3N(CC2)C)ccc4O)cc1)C	0.364	0.754	0.332	0.395	0.79	0.768	0.418	0.071	0.148	0.277	0.5
Compound_318	COc1cc2CCN([C@H]3c2cc1Oc1c2c(CCN([C@H]2Cc2ccc(Oc4cc(C3)ccc4O)cc2)C)cc(c1O)OC)C	0.325	0.803	0.175	0.34	0.79	0.768	0.418	0.014	0.148	0.182	0.573
Compound_319	COc1cc2CCN([C@@H]3c2cc1Oc1c2c(CCN([C@@H]2Cc2ccc(c(c2)Oc2ccc(C3)cc2)O)C)cc(c1O)OC)C	0.339	0.803	0.175	0.34	0.79	0.768	0.418	0.014	0.148	0.182	0.573
Compound_320	COc1cc2C(C)NCCc2cc1OC	0.07	0.546	0.267	0.471	0.004	0.148	0.001	0.041	0.743	0.009	0.139
Compound_321	OCCC[C@@H]1/C(=C(\C=O)/C)/CC[C@]([C@@]1(C)CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)(C)O	0.932	0.533	0.076	0.585	0.484	0.614	0.95	0.101	0.222	0.467	0.375
Compound_322	O=N(=O)CCC(=O)O[C@@H]1O[C@H](COC(=O)CCN(=O)=O)[C@H]([C@@H]([C@H]1OC(=O)CCN(=O)=O)O)OC(=O)CCN(=O)=O	0.432	0.369	0.035	0.611	0.545	0.499	0.019	0.554	0.466	0.471	0.378
Compound_323	CN1CCc2c([C@@H]3[C@H]1c1ccc4c(c1[C@H](O3)O)OCO4)cc1c(c2)OCO1	0.638	0.721	0.823	0.105	0.59	0.499	0.001	0.015	0.054	0.302	0.489
Compound_324	CO[C@H]1O[C@H]2c3cc4OCOc4cc3CCN([C@@H]2c2c1c1OCOc1cc2)C	0.634	0.777	0.708	0.184	0.576	0.532	0.005	0.015	0.077	0.053	0.667
Compound_325	COc1c(O)cc2c3c1c1ccccc1C[C@H]3N(CC2)C	0.175	0.754	0.633	0.356	0.162	0.459	0.015	0.918	0.182	0.061	0.086
Compound_326	CN1CCc2c3[C@H]1Cc1ccccc1c3c1c(c2)OCO1	0.231	0.745	0.829	0.319	0.094	0.753	0.041	0.545	0.174	0.572	0.436
Compound_327	CO[C@H]1O[C@H]2c3cc(O)c(cc3CCN[C@@H]2c2c1c1OCOc1cc2)OC	0.699	0.671	0.431	0.372	0.538	0.348	0.05	0.091	0.1	0.023	0.624
Compound_328	COc1ccc(cc1O)C[C@H]1N(C)CCc2c1cc(OC)c(c2)OC	0.148	0.7	0.149	0.24	0.157	0.322	0.003	0.044	0.264	0.15	0.194
Compound_329	COC1=C[C@@]23CCN([C@@H](C2=CC1=O)Cc1c3c(O)c(cc1)OC)C	0.655	0.763	0.139	0.306	0.061	0.343	0.03	0.885	0.313	0.22	0.089
Compound_330	CC(=C)C1Oc2c(C1)c1c(c(c2)O)c(=O)c2c(n1C)cccc2	0.811	0.637	0.69	0.517	0.958	0.727	0.908	0.856	0.664	0.131	0.575
Compound_331	C[C@@H]1NCCc2c1cc(O)c(c2)O	0.076	0.428	0.151	0.314	0.039	0.042	0.001	0.223	0.454	0.011	0.098
Compound_332	CO[C@H]1C=CC2=CCN3[C@]2(C1)c1cc(OC)c(cc1CC3)O	0.748	0.763	0.201	0.312	0.07	0.253	0.005	0.779	0.388	0.025	0.148
Compound_333	CO[C@H]1C=CC2=CCN3[C@]2(C1)c1cc(O)c(cc1CC3)OC	0.731	0.766	0.201	0.312	0.07	0.253	0.005	0.779	0.388	0.017	0.187
Compound_334	CO[C@H]1C=CC2=CCN3[C@]2(C1)c1cc2OCOc2cc1CC3	0.749	0.759	0.466	0.237	0.047	0.542	0.006	0.224	0.313	0.059	0.374
Compound_335	CO[C@H]1C=CC2=CCN3[C@]2(C1)c1cc(OC)c(cc1[C@H](C3)O)OC	0.737	0.729	0.15	0.205	0.046	0.161	0.004	0.353	0.468	0.354	0.245
Compound_336	CO[C@H]1CC=C2[C@]3(C1)N(CC2)CCc1c3cc2OCOc2c1	0.772	0.759	0.551	0.237	0.066	0.543	0.008	0.221	0.345	0.059	0.374
Compound_337	Oc1cc2OC(Cc2c2c1c(=O)c1c(n2C)cccc1)C1(C)CO1	0.857	0.85	0.138	0.548	0.988	0.862	0.901	0.591	0.552	0.102	0.711
Compound_338	CCC[C@H]1CC[C@@H](CN1C)O	0.49	0.317	0.015	0.11	0.015	0.067	0.001	0.037	0.289	0.075	0.092
Compound_339	CC[C@@H]([C@@H]1CC=C[C@H]2N1CCCNCCCCNC(=O)C2)O	0.187	0.375	0.001	0.164	0.087	0.082	0.004	0.304	0.345	0.028	0.15
Compound_340	CCC=CCC=C[C@H]1NCCCNCCCCNC(=O)C1	0.192	0.233	0.001	0.202	0.035	0.017	0.044	0.12	0.451	0.359	0.452
Compound_341	O=CN1CCCN2[C@H](C=CC[C@H]2[C@H](CC)O)CC(=O)NCCCC1	0.208	0.41	0.02	0.178	0.099	0.188	0.004	0.204	0.386	0.022	0.194
Compound_342	CC[C@@H]([C@@H]1CC=C[C@H]2N1CCCN(CCCCNC(=O)C2)C(=O)C)O	0.208	0.468	0.054	0.238	0.089	0.207	0.012	0.16	0.384	0.045	0.244
Compound_343	CCC=CCC=C[C@H]1NCCCN(C=O)CCCCNC(=O)C1	0.196	0.28	0.002	0.25	0.046	0.095	0.067	0.04	0.442	0.084	0.447
Compound_344	CCC[C@@H]1CC=C[C@H]2N1CCCNCCCCNC(=O)C2	0.239	0.373	0.0	0.128	0.058	0.083	0.193	0.301	0.438	0.342	0.341
Compound_345	C/C=C/[C@H]1CCC[C@H](N1)C	0.13	0.135	0.063	0.382	0.044	0.037	0.001	0.702	0.653	0.061	0.005
Compound_346	C[C@H]1CCCCN1	0.036	0.133	0.022	0.257	0.004	0.028	0.001	0.042	0.605	0.009	0.004
Compound_347	O=C1C[C@H]2CCC[C@@](C1)(N2)C	0.142	0.654	0.065	0.311	0.001	0.047	0.001	0.099	0.329	0.22	0.121
Compound_348	C[C@@H]1CCC[C@@H](N1)CC(=O)C	0.111	0.213	0.054	0.288	0.006	0.027	0.001	0.025	0.357	0.222	0.019
Compound_349	CC(=O)N1CCCC(=C1)[C@H]1CCCCN1	0.424	0.396	0.111	0.358	0.022	0.095	0.0	0.043	0.703	0.016	0.255
Compound_350	CC(=O)CC1CCCCN1C	0.763	0.298	0.016	0.068	0.008	0.126	0.002	0.042	0.365	0.029	0.082
Compound_351	O=C1CC2CCCC(C1)N2	0.112	0.447	0.059	0.305	0.006	0.071	0.002	0.043	0.364	0.787	0.078
Compound_352	OC(c1ccccc1)CC1CC=CC(N1C)CC(=O)C	0.219	0.395	0.029	0.146	0.045	0.155	0.001	0.138	0.198	0.019	0.024
Compound_353	O[C@H](c1ccccc1)C[C@@H]1CC=C[C@H](N1C)C[C@H](O)C	0.191	0.403	0.028	0.129	0.055	0.269	0.001	0.276	0.062	0.014	0.045
Compound_354	O[C@H](c1ccccc1)C[C@@H]1CCCCN1	0.016	0.264	0.004	0.146	0.005	0.032	-0.0	0.016	0.082	0.016	0.035
Compound_355	O[C@@H](c1ccccc1)C[C@H]1CC[C@@H]2[C@H](N1C)C[C@](O2)(C)O	0.153	0.622	0.003	0.056	0.038	0.103	0.0	0.094	0.056	0.027	0.218
Compound_356	O[C@H]1CC[C@H](N(C1)C)C[C@@H](c1ccccc1)O	0.053	0.34	0.008	0.045	0.013	0.027	0.0	0.009	0.041	0.005	0.026
Compound_357	OC(c1ccccc1)CC1CCCC(N1C)CC(=O)C	0.059	0.298	0.007	0.054	0.01	0.059	-0.0	0.049	0.157	0.006	0.026
Compound_358	OC(=O)[C@]12CC[C@@]3(C(=CC[C@H]4[C@@]3(C)CC[C@@H]3[C@@]54CC[C@@](C3(C)C)(OC5)O)[C@@H]2CC(CC1)(C)C)C	0.892	0.866	0.063	0.367	0.93	0.847	0.292	0.939	0.389	0.989	0.034
Compound_359	CC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2C(=O)C=C2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C(=O)O)C)C	0.934	0.856	0.136	0.424	0.971	0.917	0.488	0.987	0.291	0.951	0.109
Compound_360	C/C=C(\C(=O)O[C@@H]1CC(C)(C)C[C@@H]2[C@]1(CC[C@@]1(C2=CC[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)CCC(=O)C1(C)C)C)C(=O)O)/C	0.912	0.88	0.083	0.39	0.983	0.911	0.543	0.98	0.393	0.888	0.142
Compound_361	O[C@H](c1ccccc1)C[C@@H]1CCC[C@@H](N1C)C[C@H](c1ccccc1)O	0.049	0.353	0.011	0.061	0.071	0.3	0.0	0.1	0.048	0.003	0.08
Compound_362	C[C@@H]1C[C@H]2Cc3c([C@@]4(C1)[C@@H]2CCCN4)cccn3	0.257	0.45	0.011	0.217	0.074	0.603	0.081	0.223	0.481	0.001	0.115
Compound_363	CN1CCCC[C@H]1c1cccnc1	0.142	0.504	0.017	0.134	0.014	0.568	0.0	0.012	0.429	0.004	0.083
Compound_364	OC[C@H]1O[C@@H](Oc2c(N)[nH]c(=O)[nH]c2=O)[C@@H]([C@H]([C@@H]1O)O)O	0.372	0.446	0.012	0.26	0.211	0.189	0.032	0.12	0.336	0.051	0.645
Compound_365	NC(=C1C=NC=C1)N	0.166	0.614	0.748	0.552	0.046	0.012	0.008	0.546	0.759	0.083	0.544
Compound_366	O=C(C[C@@H]1CCCN1C)C[C@H]1CCCN1C	0.897	0.475	0.025	0.1	0.037	0.184	0.037	0.05	0.194	0.166	0.529
Compound_367	CO[C@H]1C=C2CCN3[C@H]2[C@@H]([C@@H]1O)c1cc(OC)c(cc1C3)OC	0.747	0.719	0.052	0.156	0.051	0.138	0.007	0.274	0.408	0.148	0.161
Compound_368	C[C@H](C[C@H]1CCCN1C)O	0.303	0.401	0.012	0.033	0.017	0.212	0.002	0.01	0.043	0.027	0.202
Compound_369	C/C=C/1\CC(=C)[C@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3	0.437	0.846	0.095	0.187	0.289	0.246	0.047	0.828	0.281	0.059	0.55
Compound_370	O[C@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@@H](O)C)(C(C)C)O	0.433	0.679	0.071	0.297	0.067	0.129	0.001	0.189	0.215	0.101	0.321
Compound_371	CCC(C(C(=O)OCC1CCN2C1CCC2)(C(O)C)O)C	0.25	0.463	0.309	0.245	0.082	0.247	0.009	0.006	0.33	0.042	0.415
Compound_372	CC([C@@](C(=O)OCC1=CCN2[C@H]1CCC2)([C@@H](O)C)O)C	0.427	0.53	0.059	0.298	0.067	0.184	0.001	0.21	0.287	0.289	0.53
Compound_373	CC(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@H](O)C)(C(C)C)O	0.447	0.729	0.054	0.227	0.102	0.154	0.006	0.295	0.263	0.407	0.664
Compound_374	O=C(/C=C/c1ccc(cc1)O)OC[C@@H]1CCN2[C@@H]1CCC2	0.672	0.507	0.173	0.487	0.665	0.89	0.046	0.348	0.61	0.772	0.297
Compound_375	C/C=C(\C(=O)O[C@H]1CCN2[C@H]1C(=CC2)COC(=O)[C@@](C(O)(C)C)([C@@H](OC(=O)C)C)O)/C	0.519	0.699	0.076	0.187	0.198	0.499	0.1	0.645	0.437	0.407	0.598
Compound_376	C/C=C(\C(=O)O[C@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@](C(O)(C)C)([C@@H](O)C)O)/C	0.487	0.699	0.068	0.209	0.121	0.243	0.022	0.371	0.372	0.407	0.623
Compound_377	O[C@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@H](O)C)(C(C)C)O	0.433	0.679	0.071	0.297	0.067	0.129	0.001	0.189	0.215	0.101	0.321
Compound_378	CO[C@@H]1C=C[C@]23[C@H](C1)N(C[C@@H]2O)Cc1c3cc2OCOc2c1	0.775	0.619	0.674	0.233	0.188	0.337	0.001	0.571	0.209	0.441	0.608
Compound_379	CC([C@@](C(=O)OC[C@@H]1CCN2[C@H]1CCC2)([C@@H](O)C)O)C	0.277	0.423	0.04	0.196	0.068	0.205	0.002	0.005	0.265	0.089	0.428
Compound_380	C/C(=C/C)/C(=O)O[C@H]1CCN2[C@@H]1C(=CC2)CO	0.381	0.563	0.047	0.131	0.14	0.216	0.013	0.251	0.332	0.125	0.223
Compound_381	CC([C@@](C(=O)OC[C@@H]1CCN2[C@H]1CCC2)([C@H](O)C)O)C	0.277	0.423	0.04	0.196	0.068	0.205	0.002	0.005	0.265	0.089	0.428
Compound_382	CC(=O)O[C@H]([C@](C(=O)OCC1=CCN2[C@H]1[C@@H](O)CC2)(C(C)C)O)C	0.475	0.689	0.054	0.313	0.091	0.163	0.006	0.53	0.284	0.138	0.524
Compound_383	C/C=C(/C(=O)OCC1=CCN2[C@H]1[C@H](CC2)OC(=O)/C(=C/C)/C)\C	0.454	0.582	0.076	0.195	0.163	0.244	0.093	0.649	0.511	0.941	0.781
Compound_384	C/C=C(\C(=O)O[C@@H]1CCN2[C@@H]1C=C(C2)COC(=O)[C@](C(O)(C)C)([C@@H](OC(=O)C(=CC)C)C)O)/C	0.458	0.699	0.094	0.207	0.247	0.477	0.277	0.667	0.403	0.407	0.598
Compound_385	O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@](C(O)(C)C)([C@H](O)C)O	0.433	0.679	0.09	0.297	0.061	0.132	0.001	0.241	0.239	0.101	0.312
Compound_386	CC(=CC(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@](C(O)(C)C)(C(O)C)O)C	0.52	0.699	0.068	0.236	0.106	0.23	0.011	0.434	0.372	0.407	0.623
Compound_387	OCC1=CCN2[C@H]1[C@@H](O)CC2	0.277	0.44	0.081	0.126	0.047	0.135	0.005	0.037	0.063	0.115	0.303
Compound_388	OCC1=CCN2[C@H]1CCC2	0.309	0.394	0.101	0.137	0.034	0.267	0.002	0.042	0.169	0.337	0.643
Compound_389	CO[C@@H]([C@@](C(=O)OCC1=CCN2[C@H]1CCC2)(C(C)C)O)C	0.46	0.54	0.058	0.26	0.117	0.218	0.057	0.712	0.307	0.055	0.544
Compound_390	CN1CC[C@H]2OC(=O)[C@@]3(O[C@@H]3C)C[C@H]([C@@](C(=O)OCC(=CC1)C2=O)(C)OC(=O)C)C	0.676	0.779	0.097	0.321	0.58	0.256	0.097	0.489	0.347	0.35	0.353
Compound_391	C/C=C\1/C[C@H](C)[C@](C)(OC(=O)C)C(=O)OCC2=CCN(CC[C@H](OC1=O)C2=O)C	0.644	0.769	0.13	0.312	0.18	0.123	0.039	0.489	0.364	0.35	0.328
Compound_392	O=C(CC(O)(C)C)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@](C(O)(C)C)([C@@H](O)C)O	0.413	0.719	0.062	0.227	0.126	0.389	0.007	0.384	0.221	0.387	0.467
Compound_393	O=C(CC(O)(C)C)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@](C(O)(C)C)([C@@H](OC(=O)C)C)O	0.421	0.719	0.069	0.205	0.158	0.375	0.076	0.657	0.287	0.387	0.429
Compound_394	CCC(C(=O)N[C@H]1CCN2[C@@H]1CCC2)C	0.087	0.315	0.026	0.164	0.013	0.079	0.007	0.014	0.426	0.684	0.226
Compound_395	C/C=C(/C(=O)O[C@H]([C@](C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)OC(=O)C)(C(C)C)O)C)\C	0.541	0.729	0.076	0.216	0.168	0.408	0.086	0.637	0.433	0.323	0.604
Compound_396	CN1CC[C@H]2OC(=O)[C@]3(O[C@H]3C)C[C@H]([C@@](C(=O)OCC(=CC1)C2=O)(C)O)C	0.562	0.769	0.054	0.254	0.587	0.246	0.089	0.644	0.338	0.054	0.251
Compound_397	COc1ccc2c3c1O[C@@H]1[C@@]3(CCNC2)C=C[C@@H](C1)O	0.704	0.484	0.185	0.382	0.28	0.342	0.013	0.319	0.053	0.003	0.437
Compound_398	C/C=C/1\C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3	0.474	0.789	0.46	0.206	0.258	0.182	0.014	0.408	0.288	0.02	0.111
Compound_399	C/C=C/1\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3	0.425	0.87	0.316	0.207	0.254	0.195	0.051	0.705	0.303	0.232	0.348
Compound_400	COC(=O)[C@H]1[C@@H]2CCCN2C[C@@]1(C)O	0.194	0.599	0.049	0.089	0.116	0.052	0.008	0.052	0.175	0.002	0.249
Compound_401	O=C1C=C(C)C[C@@H](C)[C@@](C)(O)C(=O)OC[C@@H]2[C@@H]3[C@H](O1)CCN3CC2	0.592	0.85	0.502	0.258	0.153	0.199	0.041	0.641	0.308	0.232	0.788
Compound_402	CN1CC[C@H]2OC(=O)[C@](O)(C[C@H]([C@@](C(=O)OCC(=CC1)C2=O)(C)OC(=O)C)C)[C@H](Cl)C	0.609	0.779	0.179	0.432	0.36	0.235	0.167	0.84	0.373	0.56	0.448
Compound_403	O=C1O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@](C(=C)C[C@]21O[C@H]2C)(C)O	0.505	0.866	0.027	0.216	0.637	0.277	0.135	0.828	0.224	0.052	0.584
Compound_404	COc1cc2[C@@H]3[C@@H](CC=C4[C@H]3N(C)CC4)OC(=O)c2cc1OC	0.726	0.727	0.451	0.229	0.085	0.406	0.557	0.108	0.269	0.32	0.228
Compound_405	C/C=C(\C(=O)OC[C@H]1[C@@H](O)CN2[C@@H]1CCC2)/C	0.573	0.644	0.033	0.183	0.236	0.139	0.014	0.598	0.478	0.2	0.195
Compound_406	CN1CC[C@H]2OC(=O)C(O)(C[C@H]([C@@](C(=O)OCC(=CC1)C2=O)(C)OC(=O)C)C)C(O)C	0.57	0.789	0.036	0.342	0.191	0.134	0.021	0.397	0.347	0.15	0.315
Compound_407	C/C=C(\C(=O)O[C@@H]1CCN2[C@@H]1[C@H](CC2)COC(=O)C(=CC)CO)/C	0.472	0.569	0.092	0.192	0.387	0.151	0.029	0.333	0.449	0.389	0.726
Compound_408	C/C=C(\C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)C(=CC)CO)/C	0.505	0.569	0.057	0.15	0.23	0.249	0.028	0.336	0.377	0.389	0.726
Compound_409	OCC1=CCN(C)CC[C@H](C1=O)O	0.323	0.495	0.026	0.177	0.034	0.117	0.023	0.057	0.089	0.006	0.381
Compound_410	C/C=C(/C(=O)OCC([C@@H]([C@H](C(=O)OCC1=CCN2(=O)[C@H]1[C@H](O)CC2)C)O)C)\C	0.572	0.629	0.033	0.627	0.35	0.279	0.027	0.976	0.371	0.438	0.372
Compound_411	CO[C@@H]1C=C[C@]23[C@H](C1)N(C)C[C@@H]2O[C@H](c1c3cc2OCOc2c1)O	0.793	0.639	0.544	0.219	0.246	0.338	0.001	0.44	0.121	0.235	0.698
Compound_412	COc1c(=O)ccc2c1[nH]c1occc1c2OC	0.465	0.857	0.99	0.642	0.286	0.636	0.149	0.629	0.797	0.075	0.879
Compound_413	COc1ccc2c3c1O[C@@H]1[C@@]3(CCNC2)C=C[C@@H](C1)OC(=O)CC(O)C	0.792	0.625	0.055	0.351	0.328	0.271	0.04	0.282	0.087	0.024	0.305
Compound_414	COc1cc(nc2c1cccc2)c1ccc2c(c1)OCO2	0.767	0.692	0.999	0.752	0.743	0.893	0.894	0.965	0.615	0.705	0.96
Compound_415	COc1ccc2c(c1)c(=O)cc(n2C)c1ccccc1	0.714	0.807	0.893	0.774	0.571	0.939	0.897	0.918	0.881	0.215	0.648
Compound_416	CN1CC[C@]2([C@@H]1N(C)c1c2cccc1)[C@]12CCN([C@H]1N(c1c2cccc1)C)C	0.27	0.744	0.02	0.109	0.79	0.676	0.962	0.031	0.368	0.291	0.193
Compound_417	C1CC[C@@H]2N(C1)C[C@@H]1C[C@H]2CN2C1=CCCC2	0.572	0.429	0.044	0.107	0.302	0.474	0.001	0.059	0.723	0.658	0.156
Compound_418	C1CC[C@H]2N(C1)C[C@@H]1C[C@H]2CN2[C@@H]1CCCC2	0.85	0.38	0.044	0.06	0.347	0.642	0.001	0.119	0.762	0.877	0.126
Compound_419	O=C1[C@@H]2C[C@H]([C@@H]3N1CCCC3)C(=O)N1[C@H]2CCCC1	0.795	0.438	0.219	0.452	0.202	0.643	0.001	0.321	0.395	0.754	0.297
Compound_420	O[C@H]1CCN2[C@H](C1)[C@@H]1C[C@@H](C2)c2n(C1)c(=O)ccc2	0.527	0.545	0.011	0.171	0.492	0.588	0.006	0.012	0.282	0.044	0.099
Compound_421	O=C1CCC[C@H]2N1C[C@@H]1C[C@H]2CN2[C@H]1CCCC2	0.793	0.556	0.106	0.123	0.197	0.641	0.002	0.071	0.359	0.885	0.215
Compound_422	O=C1CCC=C2N1C[C@@H]1C[C@@H]2CN2[C@H]1CCCC2	0.612	0.6	0.014	0.126	0.158	0.466	0.001	0.043	0.511	0.9	0.233
Compound_423	O[C@H]1CCN2[C@@H](C1)[C@@H]1C[C@@H](C2)[C@@H]2N(C1)C(=O)CCC2	0.447	0.513	0.067	0.167	0.205	0.641	0.002	0.026	0.16	0.143	0.053
Compound_424	COc1ccc2c3c1O[C@H]1[C@]3(CCNC2)C=CC(C1)OC(=O)CC(OC(=O)C)C	0.79	0.715	0.306	0.408	0.35	0.3	0.325	0.177	0.224	0.126	0.694
Compound_425	O=C1C=CN2[C@H](C1)[C@H]1C[C@@H](C2)[C@H]2N(C1)CCCC2	0.69	0.572	0.099	0.158	0.279	0.442	0.001	0.119	0.434	0.805	0.471
Compound_426	O[C@H]1CCN2[C@@H](C1)[C@H]1C[C@@H](C2)[C@@H]2N(C1)C(=O)[C@H](CC2)O	0.413	0.523	0.101	0.198	0.195	0.638	0.001	0.047	0.16	0.1	0.034
Compound_427	O[C@H]1CCCN2[C@H]1[C@@H]1C[C@@H](C2)[C@H]2N(C1)CCCC2	0.529	0.462	0.054	0.106	0.349	0.632	0.0	0.034	0.292	0.837	0.066
Compound_428	C=CCCN1C[C@@H]2C[C@H](C1)c1n(C2)c(=O)ccc1	0.436	0.531	0.003	0.22	0.343	0.641	0.001	0.207	0.187	0.41	0.29
Compound_429	C=CCCN1C[C@H]2C[C@@H](C1)[C@@H]1N(C2)C(=O)CCC1	0.63	0.512	0.089	0.221	0.058	0.412	0.001	0.399	0.178	0.962	0.234
Compound_430	O=c1cccc2n1C[C@H]1C[C@@H]2CN2[C@@H]1CCCC2	0.547	0.558	0.007	0.123	0.522	0.667	0.001	0.035	0.762	0.338	0.241
Compound_431	Oc1ccc2n(c1=O)C[C@H]1C[C@@H]2NC1	0.463	0.514	0.03	0.312	0.205	0.692	0.003	0.084	0.44	0.002	0.168
Compound_432	CC(=O)O[C@H]1C=C2CCN3[C@H]2[C@@H]([C@@H]1O)c1cc2OCOc2cc1C3	0.81	0.759	0.817	0.249	0.175	0.281	0.027	0.551	0.374	0.538	0.256
Compound_433	C=CC[C@H]1NC[C@H]2C[C@@H]1[C@H]1CC(=O)C=CN1C2	0.252	0.514	0.017	0.214	0.101	0.248	0.004	0.42	0.131	0.086	0.389
Compound_434	O=CN1C[C@@H]2C[C@H](C1)c1n(C2)c(=O)ccc1	0.505	0.579	0.088	0.403	0.275	0.875	0.006	0.205	0.677	0.815	0.446
Compound_435	O=c1cccc2n1C[C@H]1C[C@H]2CN2[C@H]1CCCC2	0.547	0.558	0.007	0.123	0.522	0.667	0.001	0.035	0.762	0.338	0.241
Compound_436	C=CC[C@H]1N(C)C[C@@H]2C[C@@H]1Cn1c2cccc1=O	0.538	0.623	0.012	0.182	0.336	0.717	0.0	0.157	0.186	0.02	0.313
Compound_437	CC1C[C@@]2(O)CC(=O)[C@@H]3[C@@]4(C1)C2=CCCN4CCC3	0.513	0.732	0.112	0.206	0.406	0.381	0.006	0.271	0.315	0.068	0.066
Compound_438	O[C@H]1C=C[C@@]23[C@@H](C1)N(CC2)Cc1c3cc2OCOc2c1	0.769	0.547	0.93	0.205	0.177	0.589	0.001	0.183	0.236	0.129	0.431
Compound_439	CC1=C[C@H]2C[C@H]([C@@H]3[C@@]4(C1)[C@@H]2CCCN4CCC3)O	0.615	0.626	0.176	0.275	0.062	0.153	0.009	0.397	0.323	0.102	0.338
Compound_440	C[C@@H]1C[C@H]2CC(=O)[C@@H]3[C@@]4(C1)[C@@H]2CCCN4CCC3	0.865	0.641	0.15	0.28	0.018	0.174	0.003	0.136	0.32	0.202	0.437
Compound_441	C[C@@H]1C[C@H]2CC(=O)[C@@H]3[C@@]4(C1)[C@]2(O)CCCN4CCC3	0.429	0.634	0.045	0.244	0.067	0.245	0.007	0.133	0.327	0.038	0.112
Compound_442	C[C@@H]1C[C@H]2CC(=O)[C@@H]3[C@@]4(C1)[C@@]2(O)CCCN4CCC3	0.429	0.634	0.045	0.244	0.067	0.245	0.007	0.133	0.327	0.038	0.112
Compound_443	C/C=C/1\[C@H]2C=C(C[C@]1(N)c1c([C@@H]2O)nc(cc1)O)C	0.589	0.734	0.086	0.507	0.593	0.57	0.014	0.579	0.354	0.006	0.554
Compound_444	C[C@@H]1C[C@H]2[C@H](O)C(=O)[C@@H]3[C@@]4(C1)[C@@H]2CCCN4CCC3	0.61	0.647	0.105	0.286	0.021	0.372	0.004	0.03	0.342	0.028	0.065
Compound_445	CC(=O)O[C@@H]1C[C@@H]2C(=O)[C@@H](C[C@]34[C@@H]1CCCN4CCC=C23)C	0.596	0.739	0.102	0.313	0.269	0.128	0.016	0.788	0.485	0.129	0.053
Compound_446	CC(=O)O[C@@H]1[C@@H](C)C[C@]23[C@H]4[C@H]1C[C@H]([C@H]3CCCN2CCC4)OC(=O)C	0.605	0.673	0.071	0.321	0.126	0.26	0.017	0.05	0.442	0.526	0.39
Compound_447	O=C1O[C@@H]2C[C@H]1[C@@]13C(C)C[C@@]43[C@@H]2CCCN4C[C@@H]2[C@H]1O2	0.285	0.589	0.021	0.255	0.741	0.633	0.032	0.159	0.362	0.066	0.37
Compound_448	COc1cc2c(cc1OC)CN1[C@H]3[C@H]2[C@H](O)CC=C3CC1	0.632	0.657	0.262	0.21	0.05	0.181	0.006	0.183	0.369	0.027	0.065
Compound_449	COC(=O)C1=C2C[C@H]3CN4[C@]2([C@@H]([C@@H](C1)O)CCC4)C[C@@H]3C	0.67	0.786	0.142	0.314	0.075	0.414	0.089	0.549	0.337	0.007	0.074
Compound_450	O=C1C[C@@H]2[C@H](O)[C@H](C[C@]34[C@@H]1CCCN4CCC[C@H]23)C	0.582	0.685	0.05	0.248	0.056	0.397	0.004	0.076	0.263	0.042	0.225
Compound_451	C[C@@H]1C[C@H]2C[C@H]([C@@H]3[C@@]4(C1)[C@@H]2CCCN4CCC3)O	0.552	0.644	0.133	0.25	0.049	0.186	0.003	0.035	0.275	0.07	0.212
Compound_452	C[C@@H]1C[C@H]2CC(=O)[C@@]3([C@@]4(C1)[C@@H]2CCCN4CCC3)O	0.457	0.702	0.045	0.279	0.028	0.238	0.004	0.186	0.328	0.04	0.066
Compound_453	O=C1O[C@@H]2C[C@H]3C(=CC(=O)[C@H]([C@@]3([C@@H]3[C@@]42[C@@H](C1)[C@](C)(O)[C@H]([C@@]3(OC4)O)O)C)O)C	0.915	0.85	0.033	0.651	0.823	0.835	0.732	0.983	0.469	0.565	0.946
Compound_454	CCC(C(=O)O[C@H]1C(=O)O[C@H]2[C@]34[C@@H]1[C@@H](C)[C@@H](O)[C@@]([C@@H]4[C@@]1([C@@H](C2)C(=CC(=O)[C@H]1O)C)C)(OC3)O)C	0.947	0.842	0.251	0.652	0.604	0.822	0.58	0.979	0.394	0.414	0.921
Compound_455	COc1cc(ccc1O)C(=O)O[C@H]1CC[C@]2(C3[C@@]1(O)O[C@@]12CC2[C@@](C1CC3)(O)[C@@H](O)[C@@H](C1C2CN2C[C@@H](C)CC[C@H]2[C@@]1(C)O)O)C	0.534	0.804	0.007	0.336	0.896	0.694	0.486	0.076	0.36	0.421	0.71
Compound_456	O=C1O[C@@H]2C[C@H]3C(=CC(=O)[C@H]([C@@]3([C@@H]3[C@@]42[C@@H](C1)C(=C)[C@H]([C@@]3(OC4)O)O)C)O)C	0.922	0.85	0.034	0.656	0.788	0.812	0.566	0.994	0.455	0.308	0.885
Compound_457	CC[C@H](C(=O)O[C@H]1CC[C@]2([C@H]3[C@@]1(O)O[C@]12C[C@@H]2[C@@]([C@@H]1[C@@H](C3)O)(O)[C@@H](O)[C@@H]([C@H]1[C@H]2CN2C[C@@H](C)CC[C@H]2[C@@]1(C)O)O)C)C	0.597	0.714	0.005	0.232	0.87	0.695	0.084	0.059	0.468	0.781	0.515
Compound_458	CN[C@H]([C@H]1[C@H](O)C[C@@]2([C@]1(C)CC[C@@]13[C@H]2CC[C@@H]2[C@]3(C1)CC[C@@H](C2=C)NC)C)C	0.211	0.84	0.013	0.42	0.753	0.692	0.047	0.522	0.217	0.088	0.789
Compound_459	CN[C@H]([C@H]1[C@H](O)C[C@@]2([C@]1(C)CC[C@@]13[C@H]2CC[C@@H]2[C@]3(C1)CC[C@@H](C2=C)N(C)C)C)C	0.18	0.829	0.005	0.248	0.714	0.686	0.017	0.441	0.183	0.072	0.741
Compound_460	CN([C@H]([C@H]1CC[C@@]2([C@]1(C)CC[C@@]13[C@H]2CC[C@@H]2[C@]3(C1)CC[C@@H](C2(C)C)N(C)C)C)C)C	0.94	0.595	0.038	0.19	0.631	0.888	0.667	0.494	0.381	0.025	0.233
Compound_461	CN[C@H]([C@H]1[C@H](O)C[C@@]2([C@]1(C)CC[C@@]13[C@H]2CC[C@@H]2[C@]3(C1)CC[C@@H](C2(C)C)NC)C)C	0.106	0.825	0.008	0.377	0.661	0.705	0.035	0.139	0.2	0.068	0.424
Compound_462	COc1cc2[C@@H]3[C@@H](CC=C4[C@H]3N(C)CC4)O[C@@H](c2cc1OC)O	0.678	0.687	0.138	0.154	0.078	0.318	0.006	0.167	0.177	0.57	0.189
Compound_463	C[C@@H]([C@H]1[C@H](O)C[C@@]2([C@]1(C)CC=C1[C@H]2CC[C@@H]2C(=C1)CC[C@@H](C2(C)C)N(C)C)C)N	0.431	0.819	0.076	0.272	0.34	0.739	0.003	0.699	0.138	0.053	0.45
Compound_464	CN[C@H]1CC[C@]23[C@H](C1=C)CC[C@@H]1[C@@]3(C2)CC[C@]2([C@@]1(C)C[C@H]([C@@H]2C(=O)C)O)C	0.233	0.947	0.013	0.401	0.822	0.795	0.063	0.713	0.166	0.108	0.759
Compound_465	O[C@H]1CC[C@]2([C@H](C1)C(=O)C[C@@H]1[C@@H]2C[C@@H]2[C@H]1CC[C@@H]1[C@H]2CN2C[C@@H](C)CC[C@H]2[C@@]1(C)O)C	0.431	0.748	0.011	0.23	0.493	0.813	0.007	0.174	0.223	0.056	0.185
Compound_466	O[C@H]1CC[C@]2([C@H](C1)[C@H](O)C[C@@H]1[C@@H]2C[C@@H]2[C@H]1CC[C@@H]1[C@H]2CN2C[C@@H](C)CC[C@H]2[C@@H]1C)C	0.762	0.783	0.033	0.222	0.375	0.836	0.007	0.14	0.338	0.121	0.353
Compound_467	O[C@H]1CC[C@]2([C@H](C1)[C@H](O)C[C@@H]1[C@@H]2C[C@@H]2[C@H]1CC[C@H]1[C@H]2CN2C[C@@H](C)CC[C@H]2[C@H]1C)C	0.762	0.783	0.033	0.222	0.375	0.836	0.007	0.14	0.338	0.121	0.353
Compound_468	O[C@H]1CC[C@]2([C@H](C1)[C@H](O)C[C@@H]1[C@@H]2C[C@@H]2[C@H]1C[C@@H]([C@H]1[C@H]2CN2C[C@@H](C)C=C[C@H]2[C@@H]1C)O)C	0.705	0.79	0.069	0.285	0.841	0.907	0.004	0.37	0.436	0.486	0.329
Compound_469	O[C@H]1CC[C@]2([C@H](C1)C(=O)C[C@@H]1[C@@H]2C[C@@H]2[C@H]1CC[C@H]1[C@H]2CN2C[C@@H](C)CC[C@H]2[C@@]1(C)O)C	0.431	0.748	0.011	0.23	0.493	0.813	0.007	0.174	0.223	0.056	0.185
Compound_470	OCCC[C@@H]1/C(=C(\C=O)/C)/CC[C@]([C@@]1(C)CC/C=C(/CC[C@@H]1C(=C)CC[C@@H](C1(C)C)C)\C)(C)O	0.98	0.759	0.08	0.568	0.661	0.807	0.931	0.452	0.254	0.758	0.594
Compound_471	O[C@H]1CC[C@]2([C@H](C1)[C@H](O)C[C@@H]1[C@@H]2C[C@@H]2[C@H]1CC[C@H]1[C@H]2CN2C[C@@H](C)CC[C@H]2[C@@]1(C)O)C	0.584	0.738	0.021	0.235	0.458	0.72	0.017	0.112	0.277	0.104	0.215
Compound_472	O[C@H]1CC[C@]2([C@H](C1)C(=O)C[C@@H]1[C@@H]2CC2=C(C)[C@]3(CC[C@@H]12)O[C@H]1[C@H]([C@H]3C)NC[C@H](C1)C)C	0.454	0.85	0.0	0.311	0.565	0.816	0.031	0.147	0.154	0.178	0.162
Compound_473	O[C@H]1CC[C@]2([C@H](C1)[C@H](O)C[C@@H]1[C@@H]2C[C@@H]2[C@H]1CC[C@H]1[C@H]2CN2C[C@@H](C)CC[C@H]2[C@@H]1C)C	0.762	0.783	0.033	0.222	0.375	0.836	0.007	0.14	0.338	0.121	0.353
Compound_474	O[C@H]1CC[C@]2([C@H](C1)C(=O)C[C@@H]1[C@@H]2C[C@@H]2[C@H]1CC[C@H]1[C@H]2CN2C[C@@H](C)CC[C@H]2[C@@H]1C)C	0.593	0.776	0.016	0.217	0.403	0.892	0.003	0.208	0.244	0.053	0.281
Compound_475	O[C@H]1CC[C@]2([C@H](C1)C(=O)C[C@H]1[C@H]2C[C@@]2([C@@H]1C=C[C@H](C2)[C@@H]([C@@H]1CC[C@@H](CN1C)C)C)C)C	0.785	0.815	0.007	0.216	0.649	0.934	0.0	0.547	0.149	0.075	0.283
Compound_476	O[C@H]1CC[C@]2([C@H](C1)[C@H](O)C[C@@H]1[C@@H]2C[C@@]2([C@H]1C=C[C@H](C2)[C@@H]([C@H]1CC[C@@H](CN1C)C)C)C)C	0.848	0.805	0.015	0.226	0.599	0.889	0.001	0.478	0.21	0.106	0.357
Compound_477	CN(C([C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)CC[C@@H](C2=O)N1C[C@H](C1=O)C(C)C)C)C	0.818	0.664	0.033	0.297	0.466	0.708	0.003	0.12	0.337	0.065	0.272
Compound_478	CC(=O)OC1C(CCC2(C1CCC1C2CCC2(C1CCC2C(N(C)C)C)C)C)N(C(=O)c1ccccc1)C	0.369	0.693	0.016	0.259	0.445	0.933	0.169	0.385	0.328	0.016	0.08
Compound_479	CN1CCC2=CC[C@@H]3[C@H]([C@H]12)c1cc2OCOc2cc1C(=O)O3	0.759	0.685	0.951	0.262	0.177	0.562	0.557	0.205	0.192	0.359	0.348
Compound_480	CN[C@@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](N(C)C)C)C)C	0.312	0.56	0.009	0.209	0.329	0.905	0.257	0.122	0.242	0.007	0.182
Compound_481	CC(=CC(=O)N([C@@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](N(C)C)C)C)C)C)C	0.833	0.709	0.198	0.387	0.511	0.97	0.47	0.892	0.424	0.267	0.411
Compound_482	CC(=CC(=O)N[C@@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](N(C)C)C)C)C)C	0.293	0.679	0.05	0.286	0.377	0.932	0.86	0.91	0.424	0.035	0.346
Compound_483	CN(C(C1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)CC[C@@H](C2)N(C)C)C)C(=O)C	0.897	0.658	0.039	0.219	0.294	0.972	0.172	0.122	0.296	0.062	0.224
Compound_484	CN([C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)CC[C@@H](C2)NC(=O)c1cccnc1)C)C	0.099	0.622	0.037	0.227	0.08	0.649	0.107	0.048	0.136	0.105	0.065
Compound_485	CN([C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)CC[C@]1(C2)N(C)C(=O)c2c1cccc2)C)C	0.465	0.745	0.039	0.428	0.147	0.958	0.81	0.922	0.311	0.075	0.181
Compound_486	O[C@H]1CC[C@]2([C@H]([C@@H]1O)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](N(C)C)C)C)C	0.768	0.858	0.017	0.31	0.568	0.966	0.003	0.525	0.086	0.117	0.396
Compound_487	C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@@H]([C@]2(C)O)[C@@H](O)[C@@H]([C@@]2([C@H]1C[C@]13[C@H]2CC[C@H]2[C@]3(C)CC[C@@H]([C@]2(O1)O)O)O)O	0.414	0.724	0.006	0.206	0.835	0.693	0.017	0.028	0.394	0.65	0.359
Compound_488	O[C@H]1C=C2[C@H](C[C@@H]1O)N1C[C@H]2c2cc3OCOc3cc2C1	0.798	0.726	0.715	0.194	0.133	0.434	0.003	0.161	0.232	0.735	0.332
Compound_489	CC[C@H](C(=O)O[C@H]1[C@H](O)[C@H]2[C@H]([C@H]3[C@]1(O)[C@@H]1[C@H](OC(=O)C)C[C@H]4[C@]5([C@]1(C3)O[C@@]4(O)[C@H](CC5)OC(=O)[C@]([C@H](OC(=O)C)C)(O)C)C)CN1[C@H]([C@@]2(C)O)CC[C@@H](C1)C)C	0.627	0.768	0.005	0.255	0.845	0.694	0.046	0.15	0.394	0.792	0.725
Compound_490	CC[C@H](C(=O)O[C@H]1[C@H](O)[C@H]2[C@H]([C@H]3[C@]1(O)[C@@H]1[C@H](OC(=O)C)C[C@H]4[C@]5([C@]1(C3)O[C@]4(O)[C@H](CC5)OC(=O)C)C)CN1[C@H]([C@@]2(C)O)CC[C@@H](C1)C)C	0.681	0.768	0.005	0.247	0.87	0.695	0.084	0.157	0.495	0.792	0.725
Compound_491	O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2C(=O)C2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)N(C[C@H](C2)C)C(=O)C)C1)C	0.764	0.829	0.015	0.662	0.646	0.954	0.127	0.99	0.206	0.971	0.336
Compound_492	C[C@@H]1CN[C@@H]2[C@@H](C1)O[C@@]1([C@@H]2C)CC[C@@H]2C(=C1C)C(=O)[C@H]1[C@H]2CC[C@@H]2[C@]1(C)[C@@H](O)C[C@@H](C2)O	0.467	0.93	0.001	0.353	0.594	0.839	0.105	0.114	0.131	0.459	0.195
Compound_493	CCC(C(=O)O[C@H]1[C@H](O)[C@H]2[C@H]([C@H]3[C@]1(O)[C@@H]1[C@H](O)C[C@H]4[C@]5([C@]1(C3)O[C@]4(O)[C@H](C[C@@H]5OC(=O)C)OC(=O)C(CC)(O)C)C)CN1[C@H](C2(C)O)CC[C@@H](C1)C)C	0.578	0.758	0.014	0.196	0.835	0.691	0.046	0.163	0.372	0.792	0.704
Compound_494	C[C@H]1CC[C@@H](NC1)[C@H](c1ccc2c(c1C)C[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C	0.314	0.88	0.007	0.459	0.088	0.727	0.029	0.423	0.403	0.088	0.354
Compound_495	C[C@H]1CC[C@H](NC1)[C@H]([C@]1(C)CC[C@@H]2C1=CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C	0.532	0.779	0.001	0.52	0.422	0.699	0.016	0.54	0.177	0.077	0.216
Compound_496	C[C@H]1CC[C@H](NC1)[C@H]([C@]1(C)[C@@H](O)C[C@@H]2C1=CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C	0.505	0.87	0.0	0.541	0.641	0.741	0.014	0.54	0.188	0.121	0.149
Compound_497	OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3C(=O)C3=C(C)[C@]5(CC[C@@H]43)O[C@H]3[C@H]([C@H]5C)NC[C@H](C3)C)C2)C)[C@@H]([C@H]([C@@H]1O)O)O	0.579	0.91	0.0	0.43	0.833	0.875	0.251	0.046	0.351	0.494	0.061
Compound_498	COc1cc(ccc1OC)C(=O)O[C@H]1CC[C@]2([C@H]3[C@@]1(O)O[C@]12C[C@@H]2[C@@]([C@@H]1CC3)(O)[C@@H](O)[C@@H]([C@H]1[C@H]2CN2C[C@@H](C)CC[C@H]2[C@@]1(C)O)O)C	0.48	0.804	0.007	0.205	0.864	0.711	0.607	0.034	0.373	0.421	0.71
Compound_499	C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@@H]([C@]2(C)O)[C@@H](O)[C@@H]([C@@]2([C@H]1C[C@]13[C@H]2CC[C@H]2[C@]3(C)CC[C@@H]([C@]2(O1)O)OC(=O)C)O)O	0.627	0.744	0.001	0.209	0.861	0.696	0.064	0.088	0.538	0.478	0.488
Compound_500	O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2C[C@H](O)[C@]2([C@H]3C[C@H]3[C@@H]2[C@H](C)[C@@H]2N3C[C@H](CC2)C)C)C1)C	0.827	0.9	0.031	0.338	0.336	0.432	0.002	0.691	0.208	0.547	0.242
Compound_501	OC[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]1[C@@H]2[C@H](C)[C@@H]2N1C[C@H](CC2)C)CC=C1[C@]3(C)CC[C@@H](C1)O	0.827	0.829	0.019	0.307	0.346	0.431	0.003	0.222	0.12	0.185	0.168
Compound_502	CCC(C(=O)O[C@H]1[C@H](O)[C@H]2[C@H]([C@H]3[C@]1(O)[C@@H]1[C@H](OC(=O)C)C[C@H]4[C@]5([C@]1(C3)O[C@]4(O)[C@H](CC5)OC(=O)c1ccc(c(c1)OC)OC)C)CN1[C@H]([C@@]2(C)O)CC[C@@H](C1)C)C	0.584	0.838	0.003	0.252	0.864	0.711	0.607	0.056	0.401	0.605	0.856
Compound_503	CCC(C(=O)O[C@H]1CC[C@]2(C3[C@]1(O)O[C@]12CC2[C@@](C1[C@@H](C3)O)(O)C(OC(=O)C(CC)(O)C)[C@@H](C1C2CN2C[C@@H](C)CC[C@H]2[C@@]1(C)O)O)C)C	0.647	0.758	0.006	0.25	0.819	0.693	0.046	0.11	0.358	0.792	0.704
Compound_504	O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H]([C@@H]2CCC(=N2)C)C)C)C1)C	0.856	0.88	0.158	0.797	0.705	0.914	0.083	0.912	0.232	0.579	0.536
Compound_505	C[C@@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O[C@@H]1O[C@H](C)[C@H]([C@@H]([C@H]1O)O)O)[C@@H]1CCC(=N1)C	0.65	0.86	0.042	0.701	0.782	0.809	0.106	0.506	0.686	0.889	0.301
Compound_506	OC[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]1[C@@H]2[C@H](C)[C@@H]2N1C[C@H](CC2)C)CCC1=CC(=O)CC[C@]31C	0.901	0.839	0.019	0.422	0.335	0.482	0.018	0.032	0.071	0.054	0.102
Compound_507	C[C@H]1CCC(=NC1)[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C	0.823	0.87	0.297	0.753	0.861	0.919	0.08	0.865	0.269	0.29	0.28
Compound_508	C[C@H]1CC[C@]2(NC1)O[C@H]1[C@]([C@@H]2C)(C)C2=CC[C@H]3[C@H]([C@@H]2C1)CC=C1[C@]3(C)CC[C@@H](C1)O	0.569	0.88	0.002	0.596	0.661	0.808	0.026	0.557	0.177	0.444	0.229
Compound_509	CCC(C(=O)O[C@H]1[C@H](O)[C@]2(O)[C@H]([C@H]3[C@H]1C(C)(O)[C@H]1N(C3)C[C@H](CC1)C)C[C@]13[C@H]2[C@H](O)C[C@H]2[C@]3(C)CC[C@@H]([C@]2(O1)O)O)C	0.515	0.714	0.013	0.238	0.87	0.695	0.084	0.115	0.462	0.781	0.515
Compound_510	CC[C@H](C(=O)O[C@H]1[C@H](O)[C@H]2[C@H]([C@H]3[C@]1(O)[C@@H]1[C@H](O)C[C@H]4[C@]5([C@]1(C3)O[C@@]4(O)[C@H](CC5)OC(=O)C)C)CN1[C@H]([C@@]2(C)O)CC[C@@H](C1)C)C	0.658	0.758	0.005	0.242	0.87	0.695	0.084	0.157	0.482	0.792	0.704
Compound_511	OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@H]2C[C@H]2[C@@H]3[C@H](C)[C@@]3(O2)CC[C@@H](CN3)C)C)C)[C@@H]([C@H]([C@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O)O)O	0.216	0.784	-0.0	0.33	0.915	0.788	0.032	0.027	0.548	0.866	0.3
Compound_512	OC[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@@H]3C(C)[C@@]3(O4)CC[C@H](CN3)C)C)C2)C)C([C@H]([C@H]1O[C@@H]1O[C@@H](CO)[C@H]([C@@H](C1O[C@@H]1O[C@@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O[C@@H]1OC[C@H]([C@@H](C1O)O)O)O)O)O	0.49	0.9	0.0	0.481	0.914	0.699	0.053	0.076	0.621	0.93	0.065
Compound_513	OCc1ccc(o1)c1nccc2c1[nH]c1c2cccc1	0.274	0.616	0.967	0.431	0.558	0.639	0.961	0.768	0.579	0.049	0.956
Compound_514	OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@@H]3[C@H](C)[C@@]3(O4)CC[C@@H](CN3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O	0.492	0.9	-0.0	0.494	0.82	0.82	0.053	0.035	0.584	0.93	0.065
Compound_515	OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@@H]3[C@H](C)[C@@]3(O4)CC[C@@H](CN3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O	0.481	0.9	-0.0	0.515	0.8	0.854	0.053	0.035	0.584	0.93	0.065
Compound_516	OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@@H]3[C@H](C)[C@@H]3N4C[C@H](CC3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O	0.565	0.89	0.0	0.326	0.541	0.644	0.014	0.051	0.469	0.866	0.12
Compound_517	OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@@H]3[C@H](C)[C@@H]3N4C[C@H](CC3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O	0.564	0.9	0.002	0.297	0.507	0.619	0.014	0.053	0.469	0.807	0.111
Compound_518	OC[C@H]1O[C@@H](OC2CC[C@]3(C(=CC[C@@H]4C3CC[C@]3([C@H]4C[C@H]4[C@@H]3[C@H](C)[C@@H]3N4C[C@H](CC3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O	0.572	0.89	0.0	0.317	0.507	0.619	0.014	0.051	0.469	0.866	0.12
Compound_519	OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@@H]3[C@H](C)[C@@H]3N4C[C@H](CC3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O)O)O	0.533	0.9	0.004	0.286	0.46	0.573	0.014	0.062	0.453	0.48	0.081
Compound_520	C[C@@H]1CC[C@@]2(NC1)O[C@@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC[C@@H]3[C@]([C@H]1CC2)(C)CC[C@@H](C3)O)C	0.176	0.744	0.002	0.298	0.616	0.819	0.009	0.07	0.132	0.175	0.318
Compound_521	C[C@H]1CC[C@]2(NC1)O[C@@H]1[C@H]([C@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC=C3[C@]([C@H]1CC2)(C)CC[C@@H](C3)O)C	0.483	0.829	0.003	0.615	0.667	0.857	0.017	0.445	0.177	0.317	0.232
Compound_522	C[C@@H]1CC[C@@]2(N(C1)C)O[C@@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC=C3[C@]([C@H]1CC2)(C)CC[C@@H](C3)O)C	0.701	0.789	0.047	0.41	0.668	0.863	0.005	0.754	0.167	0.327	0.252
Compound_523	N[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1C[C@@H]1[C@@H]2[C@H](C)[C@@H]2[C@](O1)(O)C[C@H](CN2)C)C)C	0.144	0.725	0.001	0.266	0.717	0.573	0.155	0.037	0.152	0.08	0.291
Compound_524	CO[C@H]1C[C@@]2(O)[C@H]3[C@H]([C@@H]1C[C@H]3[C@@]13C4[C@]2(O)[C@@H](OC)[C@@H]1[C@@](CN4CC)(CO)CC[C@@H]3OC)OC	0.48	0.687	0.002	0.207	0.473	0.569	0.02	0.096	0.145	0.123	0.615
Compound_525	COC[C@]12CC[C@@H]([C@@]34[C@@H]2[C@@H](OC)[C@@H](C3N(C1)CC)[C@@]1([C@@H]2[C@H]4C[C@@H]([C@@H]2O)[C@H](C1)OC)O)O	0.488	0.676	0.011	0.221	0.393	0.445	0.01	0.106	0.117	0.273	0.687
Compound_526	COC[C@@]12CN(CC)C3[C@]4([C@@H]2[C@@H](OC)[C@@H]3[C@@]2([C@@H]3[C@H]4C[C@@]([C@@H]3O)([C@H]([C@@H]2O)OC)O)O)[C@H](C[C@H]1O)OC	0.414	0.709	0.006	0.24	0.493	0.581	0.022	0.093	0.127	0.329	0.647
Compound_527	COC[C@@]12CN(CC)C3[C@]4([C@@H]2[C@@H](OC)[C@@H]3[C@@]2([C@@H]3[C@H]4C[C@@]([C@@H]3OC(=O)c3ccccc3)([C@H]([C@@H]2O)OC)O)O)[C@H](C[C@H]1O)OC	0.277	0.702	0.005	0.273	0.596	0.631	0.238	0.026	0.09	0.5	0.592
Compound_528	COC[C@@]12CN(C)C3[C@]4([C@@H]2[C@@H](OC)[C@@H]3[C@@]2([C@@H]3[C@H]4C[C@@]([C@@H]3O)([C@H]([C@@H]2O)OC)O)O)[C@H](C[C@H]1O)OC	0.414	0.709	0.003	0.199	0.493	0.581	0.022	0.1	0.123	0.269	0.538
Compound_529	COC[C@@]12CN(C)C3[C@]4([C@@H]2[C@@H](OC)[C@@H]3[C@@]2([C@@H]3[C@H]4C[C@@]([C@@H]3OC(=O)c3ccccc3)([C@H]([C@@H]2O)OC)O)O)[C@H](C[C@H]1O)OC	0.277	0.702	0.003	0.236	0.578	0.627	0.238	0.017	0.093	0.362	0.474
Compound_530	COC[C@]12CC[C@@H]([C@@]34[C@@H]2[C@@H](OC)[C@@H](C3N(C1)C)[C@@]1([C@@H]2[C@H]4C[C@@]([C@@H]2OC(=O)c2ccccc2)([C@H]([C@@H]1O)OC)O)OC(=O)C)OC	0.256	0.767	0.004	0.294	0.596	0.631	0.238	0.054	0.071	0.341	0.633
Compound_531	COC[C@]12CC[C@@H]([C@@]34[C@@H]2[C@@H](OC)[C@@H](C3N(C1)C)[C@@]1([C@@H]2[C@H]4C[C@@]([C@@H]2O)([C@H]([C@@H]1O)OC)O)O)OC	0.438	0.697	0.001	0.225	0.493	0.581	0.022	0.096	0.131	0.239	0.511
Compound_532	COC[C@]12CC[C@@H]([C@@]34[C@@H]2[C@@H](OC)[C@@H](C3N(C1)C)[C@@]1([C@@H]2[C@H]4C[C@@]([C@@H]2OC(=O)c2ccccc2)([C@H]([C@@H]1O)OC)O)O)OC	0.288	0.692	0.001	0.242	0.578	0.627	0.238	0.017	0.099	0.361	0.485
Compound_533	CCN1C[C@]2(C)CC[C@@H]([C@]34C1[C@H](C[C@H]23)[C@]12[C@H]4C[C@@H](C(C1)C(=C)[C@H]2O)O)O	0.539	0.88	0.055	0.218	0.487	0.618	0.001	0.347	0.179	0.177	0.708
Compound_534	CCN1C[C@]2(C)CC[C@@H]([C@]34[C@H]1[C@H](C[C@H]23)[C@]12[C@H]4CC(=O)[C@H](C1)C(=C)[C@H]2O)O	0.422	0.887	0.051	0.21	0.5	0.629	0.001	0.457	0.138	0.151	0.645
Compound_535	CO[C@H]1C[C@@]2(O)[C@H]3[C@H]([C@@H]1C[C@H]3[C@@]13C4[C@@H]2C[C@@H]1[C@H](CN4CC)CC[C@@H]3OC)O	0.349	0.645	0.005	0.192	0.388	0.439	0.01	0.111	0.16	0.295	0.706
Compound_536	COC[C@@]12CN(C)C3[C@]4([C@@H]2[C@@H](OC)[C@@H]3[C@@]2([C@@H]3[C@H]4C[C@@]([C@@H]3OC(=O)c3ccccc3)([C@H]([C@@H]2O)OC)O)OC)[C@H](C[C@H]1O)OC	0.279	0.722	0.003	0.246	0.596	0.631	0.238	0.02	0.093	0.291	0.415
Compound_537	COC[C@@]12CN(CC)C3[C@]4([C@@H]2[C@@H](OC)[C@@H]3[C@@]2([C@@H]3[C@H]4C[C@@]([C@@H]3OC(=O)c3ccc(cc3)OC)([C@H](C2)OC)O)OC(=O)C)[C@H](C[C@H]1O)OC	0.549	0.839	0.074	0.426	0.637	0.639	0.567	0.138	0.16	0.556	0.837
Compound_538	COC[C@]12CC[C@@H]([C@@]34[C@@H]2C[C@@H](C3N(C1)CC)[C@@]1([C@@H]2[C@H]4C[C@@H]([C@@H]2O)[C@H](C1)OC)O)OC	0.39	0.676	0.005	0.239	0.388	0.439	0.01	0.1	0.128	0.273	0.687
Compound_539	COC[C@]12CC[C@@H]([C@@]34[C@@H]2C[C@@H]([C@H]3N(C1)CC)[C@@]1([C@@H]2[C@H]4C[C@@H]([C@@H]2OC(=O)C)[C@H](C1)OC)O)OC	0.519	0.712	0.007	0.239	0.425	0.443	0.097	0.182	0.135	0.234	0.514
Compound_540	C=C1[C@H]2CC[C@@]3([C@@H]1O)[C@@H](C2)[C@@]12CCC[C@]([C@H]2CC3)(CN2[C@H]1OCC2)C	0.282	0.78	0.079	0.182	0.777	0.422	0.012	0.54	0.377	0.456	0.463
Compound_541	CCN1C[C@@]2(CC[C@@H]([C@]34C1[C@H](C[C@H]23)[C@@]1(O)C[C@@H]([C@H]2C[C@@H]4[C@]1(O)[C@H]2OC)OC)OC)OC(=O)c1ccccc1NC(=O)C	0.401	0.779	0.0	0.253	0.65	0.641	0.239	0.036	0.337	0.733	0.734
Compound_542	CO[C@H]1[C@@H]2[C@]3(CC[C@@H]([C@@]42C([C@@]1(O)[C@@]1(O)C[C@@H]([C@H]2C[C@@H]4[C@@H]1[C@H]2OC)OC)N(C3)CC)OC)COC(=O)c1ccccc1N1C(=O)CCC1=O	0.602	0.779	0.005	0.298	0.687	0.645	0.433	0.088	0.331	0.843	0.9
Compound_543	Oc1cnc2c3c1c1ccccc1n3c(=O)cc2	0.614	0.711	0.844	0.533	0.417	0.717	0.333	0.285	0.495	0.922	0.573
Compound_544	CCN1C[C@]2(C)CC[C@@H]([C@]34C1[C@H](C[C@H]23)[C@@]1(O)C[C@@H]([C@H]2C[C@@H]4[C@@H]1[C@H]2O)OC)O	0.467	0.675	0.012	0.245	0.388	0.439	0.01	0.104	0.138	0.278	0.684
Compound_545	CO[C@H]1C[C@@]23OCO[C@]43[C@@H](O)[C@H]3[C@@]5([C@@H]6C[C@H]1[C@@H]([C@H]26)OC)C4N(CC)C[C@]3(C)CC[C@@H]5OC	0.195	0.724	0.002	0.226	0.533	0.603	0.018	0.106	0.284	0.649	0.749
Compound_546	CO[C@H]1C[C@@]23OCO[C@]43[C@@H](OC(=O)C)[C@H]3[C@@]5([C@@]6(C[C@H]1[C@@H]([C@H]26)OC)O)C4N(CC)C[C@]3(C)CC[C@@H]5OC	0.434	0.704	0.005	0.197	0.67	0.65	0.392	0.15	0.314	0.549	0.748
Compound_547	CO[C@H]1[C@@H]2[C@]3(CC[C@@H]([C@@]42C([C@@]1(O)[C@@]1(O)C[C@@H]([C@H]2C[C@@H]4[C@@H]1[C@H]2OC)OC)N(C3)CC)OC)COC(=O)c1ccccc1N	0.267	0.769	0.011	0.296	0.646	0.636	0.218	0.081	0.342	0.436	0.846
Compound_548	COC[C@]12CC[C@@H]([C@@]34[C@@H]2[C@H](OC)[C@](C3N(C1)CC)(O)[C@@]1([C@@H]2[C@H]4C[C@@H]([C@@H]2O)[C@H](C1)OC)O)O	0.431	0.697	0.008	0.236	0.473	0.569	0.02	0.126	0.133	0.31	0.58
Compound_549	COC[C@]12CC[C@@H]([C@@]34[C@@H]2[C@H](OC)[C@]([C@H]3N(C1)CC)(O)[C@@]1([C@@H]2[C@H]4C[C@@H]([C@@H]2OC)[C@H](C1)OC)O)O	0.47	0.717	0.008	0.236	0.473	0.569	0.02	0.126	0.133	0.31	0.628
Compound_550	COC[C@]12CC[C@@H]([C@@]34[C@@H]2[C@@H](O)[C@]([C@H]3N(C1)CC)(O)[C@@]1([C@@H]2[C@H]4C[C@@H]([C@@H]2OC)[C@H](C1)OC)OC)O	0.387	0.717	0.007	0.251	0.473	0.569	0.02	0.124	0.133	0.31	0.628
Compound_551	CO[C@H]1[C@@H]2[C@]3(CC[C@@H]([C@@]42[C@@H]([C@@]1(O)[C@@]1(O)C[C@@H]([C@H]2C[C@@H]4[C@@H]1[C@H]2OC)OC)N(C3)CC)OC)COC(=O)c1ccccc1NC(=O)C	0.34	0.789	0.005	0.299	0.63	0.639	0.239	0.033	0.348	0.723	0.771
Compound_552	COC[C@]12CC[C@@H]([C@@]34[C@@H]2[C@@H](OC)[C@@H](C3N(C1)CC)[C@@]1([C@@H]2[C@H]4C[C@@H]([C@@H]2OC(=O)C)[C@H](C1)OC)OC(=O)C)O	0.474	0.767	0.021	0.299	0.439	0.47	0.021	0.178	0.092	0.274	0.688
Compound_553	CO[C@H]1[C@@H]2[C@@]3(CO)CC[C@@H]([C@@]42[C@@H]([C@@]1(O)[C@@]1(O)C[C@@H]([C@H]2C[C@@H]4[C@@H]1[C@H]2OC)OC)N(C3)CC)O	0.428	0.687	0.003	0.222	0.473	0.569	0.02	0.096	0.131	0.123	0.615
Compound_554	COC[C@]12CC[C@@H]([C@@]34[C@@H]2[C@@H](O)[C@]([C@H]3N(C1)CC)(O)[C@@]1([C@@H]2[C@H]4C[C@@H]([C@@H]2OC(=O)C)[C@H](C1)OC)OC)O	0.505	0.714	0.004	0.266	0.513	0.581	0.041	0.177	0.137	0.32	0.517
Compound_555	CCN1C[C@@]2(CC[C@@H]([C@]34C1[C@]1(OCO[C@@]51[C@@H]1[C@H]4C[C@@H]([C@@H]1OC)[C@H](C5)OC)[C@H]([C@H]23)OC)OC)COC(=O)c1ccccc1N1C(=O)CC(C1=O)C	0.499	0.789	0.004	0.275	0.699	0.648	0.651	0.053	0.387	0.595	0.774
Compound_556	CO[C@H]1C[C@@]23OCO[C@]43[C@@H](O)[C@H]3[C@@]5([C@@H]6C[C@H]1[C@@H]([C@H]26)O)C4N(CC)C[C@]3(C)CC[C@@H]5OC	0.18	0.734	0.002	0.233	0.533	0.603	0.018	0.106	0.284	0.565	0.785
Compound_557	CO[C@H]1C[C@@]23OCO[C@]43[C@@H](O)[C@H]3[C@@]5([C@@]6(C[C@H]1[C@@H]([C@H]26)OC)O)[C@@H]4N(CC)C[C@]3(C)CC[C@@H]5OC	0.176	0.694	0.003	0.254	0.66	0.65	0.018	0.074	0.302	0.63	0.793
Compound_558	CO[C@H]1C[C@@]23OCO[C@]43[C@@H](OC)[C@H]3[C@@]5([C@@H]6C[C@H]1[C@@H]([C@H]26)OC)[C@@H]4N(CC)C[C@]3(CO)CC[C@@H]5OC	0.36	0.694	0.002	0.205	0.522	0.594	0.039	0.088	0.274	0.31	0.71
Compound_559	CO[C@H]1CC[C@@]2([C@@H]3[C@]41C(N(C2)CC)[C@@]1([C@H]3OC(=O)C)OCO[C@@]21[C@@H]1[C@@]4(O)C[C@@H]([C@@H]1OC)[C@H](C2)O)C	0.434	0.714	0.006	0.227	0.667	0.65	0.117	0.145	0.306	0.445	0.785
Compound_560	CO[C@H]1CC[C@@]2([C@@H]3[C@@]41[C@@H]1C[C@H]5[C@@H]([C@@H]1[C@@]1([C@]([C@H]4N(C2)CC)([C@H]3O)OCO1)C[C@@H]5O)OC)C	0.18	0.714	0.003	0.257	0.533	0.603	0.018	0.115	0.278	0.565	0.781
Compound_561	O[C@H]1C[C@@]2(C)CN3C4[C@@]5(C1)[C@@H]2C3C[C@]12[C@H]5[C@H](O)[C@H]([C@@H](C41)O)C(=C)C2	0.544	0.717	0.226	0.194	0.433	0.458	0.001	0.413	0.167	0.034	0.437
Compound_562	COc1ccc2c(c1)[nH]c1c2CCN[C@@H]1C	0.341	0.643	0.393	0.377	0.677	0.689	0.002	0.029	0.443	0.009	0.721
Compound_563	C=C1[C@H]2CC[C@@]3([C@@H]1O)[C@@H](C2)[C@@]12CCC[C@]([C@H]2CC3)(CN=C1)C	0.641	0.619	0.521	0.62	0.884	0.615	0.574	0.905	0.176	0.158	0.594
Compound_564	OCCN1C[C@]2(C)CCC[C@]3(C1)[C@@H]2CC[C@]12[C@H]3C[C@H](CC1)C(=C)[C@H]2O	0.61	0.737	0.166	0.15	0.673	0.46	0.015	0.623	0.159	0.037	0.286
Compound_565	OCCN1C[C@@]23CCC[C@@](C1=O)([C@H]2CC[C@]12[C@H]3C[C@H](CC1)C(=C)[C@H]2O)C	0.541	0.78	0.2	0.574	0.486	0.647	0.017	0.897	0.354	0.012	0.27
Compound_566	C=C1[C@H]2CC[C@@]3([C@@H]1O)[C@@H](C2)[C@@]12CCC[C@]([C@H]2CC3)(C=NC1)C	0.654	0.619	0.557	0.62	0.857	0.574	0.321	0.905	0.176	0.158	0.594
Compound_567	CCN1C[C@@]2(CC[C@@H]([C@]34C1[C@](O)([C@H]([C@H]23)OC)[C@@]1([C@@H]2[C@H]4C[C@@H]([C@@H]2OC(=O)C)[C@H](C1)OC)O)OC)COC(=O)c1ccccc1N1C(=O)C[C@@H](C1=O)C	0.638	0.779	0.003	0.338	0.687	0.645	0.433	0.29	0.354	0.832	0.88
Compound_568	CCN1C[C@@]2(CC[C@@H]([C@]34C1[C@](O)([C@H]([C@H]23)OC)[C@@]1([C@@H]2[C@H]4C[C@@H]([C@@H]2O)[C@H](C1)OC)O)OC)COC(=O)c1ccccc1N1C(=O)C[C@@H](C1=O)C	0.591	0.759	0.002	0.277	0.678	0.645	0.241	0.239	0.351	0.846	0.858
Compound_569	COC[C@]12CC[C@@H]([C@@]34[C@@H]2[C@@H](OC)[C@@H]([C@H]3N(C1)CC)[C@@]1([C@@H]2[C@H]4C[C@@]([C@@H]2OC(=O)c2ccc(cc2)OC)([C@H](C1)OC)O)OC(=O)C)OC	0.372	0.839	0.099	0.449	0.646	0.64	0.74	0.149	0.172	0.536	0.754
Compound_570	C=C[C@H]1[C@@H](OC=C2[C@H]1C[C@@H]1[S@@](=O)CCN1C2=O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.536	0.659	0.042	0.481	0.599	0.542	0.164	0.548	0.423	0.882	0.256
Compound_571	C[C@H]1CCc2c1cncc2C	0.166	0.433	0.278	0.513	0.015	0.268	0.002	0.156	0.722	0.228	0.295
Compound_572	COCc1cncc2c1CC[C@@H]2C	0.188	0.421	0.298	0.481	0.008	0.131	0.002	0.07	0.59	0.488	0.553
Compound_573	C[C@@H]1CC[C@H](N2[C@H]1CC[C@]1(C2)CS[C@@]2(C1)CC[C@@H]1N(C2)[C@@H](CC[C@H]1C)c1cocc1)c1cocc1	0.385	0.543	0.001	0.252	0.603	0.657	0.186	0.057	0.532	0.027	0.52
Compound_574	C[C@@H]1CC[C@H](N2[C@H]1CC[C@]1(C2)CS[C@]2(C1)CC[C@@H]1N([C@@H]2O)[C@@H](CC[C@H]1C)c1cocc1)c1cocc1	0.489	0.675	0.005	0.232	0.573	0.655	0.067	0.08	0.366	0.028	0.408
Compound_575	C[C@@H]1CC[C@H](N2[C@H]1CC[C@]1(C2)CS[C@@]2(C1)CC[C@@H]1N([C@@H]2O)[C@@H](CC[C@H]1C)c1cocc1)c1cocc1	0.489	0.675	0.005	0.232	0.573	0.655	0.067	0.08	0.366	0.028	0.408
Compound_576	C[C@@H]1CC[C@H](N2[C@H]1CC[C@@]1(C2)SC[C@]2(C1)CC[C@@H]1N([C@@H]2O)[C@@H](CC[C@H]1C)c1cocc1)c1cocc1	0.505	0.675	0.001	0.235	0.573	0.655	0.067	0.077	0.332	0.028	0.408
Compound_577	C[C@@H]1CC[C@H](N2[C@H]1CC[C@]1([C@H]2O)CS[C@]2(C1)CC[C@@H]1N([C@@H]2O)[C@@H](CC[C@H]1C)c1cocc1)c1cocc1	0.534	0.673	0.005	0.321	0.576	0.655	0.081	0.279	0.366	0.141	0.72
Compound_578	C[C@@H]1CC[C@H](N2[C@H]1CC[C@@]1(C2)CS[C@@]2(C1)CC[C@@H]1N(C2)[C@@H](CC[C@H]1C)c1cocc1)c1cocc1	0.385	0.543	0.001	0.252	0.603	0.657	0.186	0.057	0.532	0.027	0.52
Compound_579	C[C@@H]1CC[C@H](N2[C@H]1CC[C@]1(C2)CS(=O)[C@]2(C1)CC[C@@H]1N(C2)[C@@H](CC[C@H]1C)c1cocc1)c1cocc1	0.43	0.607	0.076	0.194	0.545	0.655	0.107	0.159	0.511	0.097	0.314
Compound_580	C[C@H]1CC[C@@H]2N(C1)[C@@H](CC[C@H]2C)c1ccoc1	0.381	0.41	0.027	0.142	0.009	0.486	0.002	0.077	0.694	0.073	0.207
Compound_581	C[C@@H]1CC[C@@H]2N(C1)[C@@H](CC[C@H]2C)c1ccoc1	0.381	0.41	0.027	0.142	0.009	0.486	0.002	0.077	0.694	0.073	0.207
Compound_582	C[C@@H]1CC[C@H](N2[C@H]1CC[C@@](C2)(C)O)c1cocc1	0.273	0.724	0.01	0.156	0.025	0.453	0.005	0.028	0.282	0.019	0.352
Compound_583	O=CC1=CN2C(CC1)C(CO)CCC2c1ccoc1	0.495	0.525	0.057	0.244	0.022	0.558	0.008	0.061	0.238	0.014	0.446
Compound_584	COc1cc(ccc1OC)C(=O)OC1CC2CCC(C1)N2	0.064	0.599	0.587	0.382	0.1	0.136	0.41	0.021	0.223	0.202	0.046
Compound_585	CN1[C@@H]2C[C@H](C[C@H]1[C@H]1[C@@H]2O1)OC(=O)C(=C)c1ccccc1	0.289	0.635	0.014	0.112	0.386	0.113	0.019	0.484	0.165	0.079	0.208
Compound_586	CN1C2CCC1C[C@@H](C2)OC(=O)[C@H]1CC[C@](c2c1cccc2)(C(=O)O[C@@H]1CC2CCC(C1)N2C)c1ccccc1	0.155	0.793	0.013	0.129	0.348	0.478	0.508	0.052	0.278	0.003	0.605
Compound_587	C/C=C(/C(=O)OC1C[C@@H]2[C@H]([C@H]([C@H](C1)N2C)O)O)\C	0.447	0.439	0.021	0.223	0.219	0.055	0.01	0.97	0.22	0.029	0.181
Compound_588	OC[C@H](c1ccccc1)C(=O)O[C@@H]1CC2CCC(C1)N2	0.022	0.462	0.016	0.274	0.02	0.027	0.001	0.01	0.071	0.022	0.05
Compound_589	OC[C@@]1(O)CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3	0.534	0.705	0.884	0.212	0.482	0.661	0.046	0.262	0.164	0.016	0.219
Compound_590	C/C=C(/C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C)\C	0.612	0.482	0.044	0.25	0.112	0.109	0.011	0.976	0.203	0.602	0.257
Compound_591	CC(=O)OC1C[C@@H]2CC[C@H](C1)N2C	0.27	0.408	0.008	0.132	0.027	0.121	0.013	0.275	0.148	0.102	0.061
Compound_592	O[C@@H]1CC2CC[C@@]([C@H]1O)(N2)O	0.028	0.394	0.059	0.311	0.014	0.032	0.0	0.152	0.141	0.205	0.095
Compound_593	O[C@@H]1[C@@H](O)C[C@]2(N[C@@H]1CC2)O	0.02	0.394	0.046	0.32	0.015	0.022	0.001	0.239	0.147	0.205	0.095
Compound_594	O[C@H]1CC[C@@H]2N[C@@]1(O)[C@@H](O)C2	0.035	0.394	0.037	0.335	0.014	0.032	0.0	0.173	0.122	0.205	0.095
Compound_595	O[C@@H]1C[C@@]2(N[C@H]1C[C@H]([C@@H]2O)O)O	0.024	0.443	0.065	0.342	0.015	0.026	0.001	0.152	0.148	0.584	0.135
Compound_596	O[C@H]1C2CC[C@](N2)([C@@H]([C@@H]1O)O)O	0.022	0.414	0.029	0.341	0.015	0.026	0.001	0.239	0.169	0.203	0.071
Compound_597	CN1C[C@@](C)(O)C=C2[C@H]1Cc1c[nH]c3c1c2ccc3	0.489	0.733	0.901	0.225	0.466	0.668	0.41	0.275	0.192	0.023	0.34
Compound_598	O[C@@H]1C2CC[C@](N2)([C@H]([C@@H]1O)O)O	0.022	0.414	0.029	0.341	0.015	0.026	0.001	0.239	0.169	0.203	0.071
Compound_599	O[C@@H]1C[C@]2(N[C@@H]1[C@@H](O)[C@@H]([C@H]2O)O)O	0.026	0.416	0.029	0.362	0.015	0.026	0.001	0.239	0.19	0.296	0.084
Compound_600	O[C@H]1[C@H]2CC[C@](N2)([C@H]([C@@H]1O)O)N	0.019	0.417	0.006	0.318	0.011	0.011	0.0	0.112	0.139	0.004	0.056
Compound_601	COc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)CC(=O)C	0.946	0.714	0.541	0.508	0.128	0.337	0.038	0.906	0.503	0.304	0.08
Compound_602	COC1=C[C@@H]2[C@H](C1=O)C1=C2c2c(CC[C@@H]1NC(=O)C)cc(c(c2OC)OC)OC	0.701	0.67	0.193	0.418	0.078	0.403	0.166	0.919	0.619	0.038	0.171
Compound_603	COc1cc(CNC(=O)CCCC/C=C/CC(C)C)ccc1O	0.136	0.422	0.484	0.666	0.018	0.172	0.002	0.947	0.29	0.005	0.014
Compound_604	CCC(/C=C/CCCCC(=O)NCc1ccc(c(c1)OC)O)C	0.136	0.503	0.161	0.669	0.018	0.172	0.002	0.949	0.351	0.007	0.069
Compound_605	CCC(CCCCCCC(=O)NCc1ccc(c(c1)OC)O)C	0.053	0.498	0.079	0.499	0.024	0.248	0.005	0.189	0.302	0.003	0.068
Compound_606	OCC(=CCN=C(N)N)C	0.13	0.291	0.764	0.538	0.031	0.007	0.005	0.59	0.229	0.01	0.161
Compound_607	CN(CCc1[nH]cnc1)C	0.134	0.459	0.014	0.176	0.165	0.779	0.0	0.077	0.391	0.024	0.121
Compound_608	Oc1ccc(cc1)CC[N+](C)(C)C	0.116	0.35	0.139	0.602	0.097	0.796	0.002	0.258	0.098	0.001	0.042
Compound_609	COc1ccc2c(c1)N(C)[C@@H]1[C@@]32CCN2[C@H]3[C@@]([C@H]([C@]1(O)C(=O)OC)O)(CC)C=CC2	0.756	0.727	0.047	0.391	0.669	0.449	0.27	0.737	0.511	0.46	0.705
Compound_610	O[C@H]([C@@H](N(C)C)C)c1ccccc1	0.006	0.218	0.036	0.08	0.006	0.034	0.001	0.054	0.051	0.127	0.07
Compound_611	N[C@H](C(=O)O)CNC(=O)C(=O)O	0.004	0.082	0.034	0.15	0.027	0.003	0.001	0.008	0.105	0.005	0.056
Compound_612	N[C@H](C(=O)O)CC#N	0.033	0.093	0.012	0.17	0.149	0.007	0.0	0.048	0.196	0.0	0.173
Compound_613	OC(=O)NCC[C@@H](C(=O)O)N	0.018	0.096	0.028	0.133	0.038	0.014	0.001	0.141	0.214	0.002	0.067
Compound_614	COC(=O)[C@@H]1C[C@]23[C@H]([C@]41Nc1c([C@@]54[C@H]3N(CC5)CC=C2)cccc1)C	0.596	0.637	0.156	0.3	0.493	0.583	0.502	0.547	0.306	0.013	0.295
Compound_615	OC(=O)[C@H](Cn1ccc(=O)o1)N	0.059	0.288	0.004	0.169	0.286	0.062	0.006	0.004	0.07	0.03	0.75
Compound_616	OC(=O)[C@H](CCn1ccc(=O)o1)N	0.06	0.265	0.013	0.196	0.259	0.073	0.008	0.003	0.088	0.016	0.734
Compound_617	OC(=O)C(Cn1ccc(=O)o1)N	0.059	0.288	0.004	0.169	0.286	0.062	0.006	0.004	0.07	0.03	0.75
Compound_618	N[C@H](C(=O)O)CCC(=O)N[C@H](C(=O)O)CC#N	0.012	0.03	0.002	0.197	0.219	0.037	0.002	0.044	0.318	0.005	0.137
Compound_619	N#CCCNC(=O)CC[C@@H](C(=O)O)N	0.008	0.074	0.002	0.184	0.102	0.032	0.001	0.064	0.345	0.0	0.147
Compound_620	C/C=C/S(=O)C[C@@H](C(=O)O)N	0.03	0.064	0.016	0.286	0.171	0.004	0.002	0.067	0.102	0.053	0.217
Compound_621	COC(=O)[C@@]1(O)[C@H](OC(=O)C)[C@]2(CC)C=CCN3[C@@H]2[C@@]2([C@H]1N(C)c1c2cccc1)CC3	0.749	0.768	0.055	0.298	0.606	0.415	0.466	0.725	0.578	0.257	0.526
Compound_622	N[C@H](C(=O)O)C[S@@](=O)CC=C	0.045	0.129	0.016	0.206	0.3	0.007	0.002	0.417	0.055	0.033	0.379
Compound_623	OC[C@H]1O[C@@H](O/C(=C(\CC(=O)O)/C=CC(=O)O)/C#N)[C@@H]([C@H]([C@@H]1O)O)O	0.566	0.296	0.013	0.241	0.668	0.526	0.261	0.319	0.471	0.104	0.321
Compound_624	OC[C@H]1O[C@@H](O[C@@H](C(C)C)C#N)[C@@H]([C@H]([C@@H]1O)O)O	0.349	0.176	0.008	0.399	0.225	0.17	0.142	0.107	0.484	0.012	0.051
Compound_625	OC[C@H]1O[C@@H](O[C@H](C(C)C)C#N)[C@@H]([C@H]([C@@H]1O)O)O	0.349	0.176	0.008	0.399	0.225	0.17	0.142	0.107	0.484	0.012	0.051
Compound_626	OC[C@H]1O[C@@H](O[C@@](C#N)(CC)C)[C@@H]([C@H]([C@@H]1O)O)O	0.354	0.246	0.005	0.393	0.239	0.188	0.122	0.2	0.435	0.01	0.097
Compound_627	OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@@](C#N)(CC)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O	0.505	0.564	0.003	0.423	0.367	0.384	0.238	0.329	0.455	0.102	0.152
Compound_628	OC[C@H]1O[C@@H](O[C@@H](c2ccccc2)C#N)[C@@H]([C@H]([C@@H]1O)O)O	0.195	0.428	0.141	0.511	0.271	0.344	0.167	0.091	0.431	0.129	0.279
Compound_629	OC[C@H]1O[C@@H](O[C@](C#N)(CC)C)[C@@H]([C@H]([C@@H]1O)O)O	0.354	0.246	0.005	0.393	0.239	0.188	0.122	0.2	0.435	0.01	0.097
Compound_630	N#C[C@@H](c1ccccc1)O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H]([C@@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O	0.218	0.52	0.169	0.562	0.465	0.558	0.365	0.185	0.433	0.661	0.283
Compound_631	CCCC(/C=C/C#CC#C/C=C/C)O	0.726	0.163	0.284	0.567	0.345	0.509	0.507	0.961	0.567	0.656	0.419
Compound_632	CC/C=C/C=C/C#CC#C/C=C/CO	0.791	0.194	0.077	0.537	0.296	0.648	0.96	0.821	0.585	0.859	0.722
Compound_633	CCCCCCCC=CCC#CC#C[C@H](C=C)O	0.938	0.15	0.071	0.57	0.567	0.926	0.977	0.949	0.722	0.996	0.768
Compound_634	C=CCCCC=CC=CCC#CC#C[C@@H](C=C)O	0.821	0.24	0.104	0.587	0.52	0.948	0.943	0.961	0.315	0.8	0.706
Compound_635	CCCCCCCC=C[C@@H](C#CC#C[C@@H](C=C)O)O	0.924	0.188	0.146	0.577	0.659	0.94	0.975	0.949	0.722	0.96	0.709
Compound_636	CCCCCCCC=CCC#CC#CC(=O)C=C	0.958	0.098	0.204	0.594	0.518	0.893	0.998	0.936	0.91	1.0	0.793
Compound_637	CCCCCCCC=CC(C#CC#CC(=O)C=C)O	0.929	0.103	0.157	0.571	0.737	0.961	0.992	0.942	0.771	0.982	0.639
Compound_638	CCCC/C=C/C=C/C=C/C#CC#CCCCO	0.789	0.218	0.171	0.561	0.319	0.925	0.98	0.946	0.256	0.627	0.571
Compound_639	CCCC(/C=C/C=C/C=CC#CC#CCCCO)O	0.772	0.262	0.274	0.581	0.525	0.936	0.936	0.86	0.33	0.194	0.359
Compound_640	CCCCC[C@@H](/C=C/C=C/C#CC#CCCCO)O	0.892	0.231	0.295	0.584	0.515	0.945	0.955	0.929	0.194	0.396	0.341
Compound_641	CCCCCCCC=C[C@@H](C#CC#CCCCO)O	0.91	0.219	0.099	0.554	0.637	0.939	0.975	0.557	0.339	0.678	0.375
Compound_642	CCCCCCC[C@@H](/C=C/C#CC#CCCCO)O	0.946	0.219	0.221	0.575	0.595	0.916	0.984	0.823	0.246	0.678	0.375
Compound_643	CCCC(=O)CC/C=C/C=C/C#CC#CCCCO	0.896	0.204	0.161	0.576	0.39	0.936	0.992	0.629	0.225	0.962	0.376
Compound_644	CCCCCC(/C=C/C=C/C#CC#CCCCO)O	0.892	0.231	0.295	0.584	0.515	0.945	0.955	0.929	0.194	0.396	0.341
Compound_645	CCC[C@H](CC/C=C/C=C/C#CC#CCCCO)O	0.891	0.215	0.088	0.545	0.435	0.942	0.983	0.894	0.333	0.878	0.439
Compound_646	CCCCCCC=CC=CC#CC#CC=CCO	0.915	0.142	0.124	0.571	0.506	0.868	0.977	0.949	0.74	0.974	0.679
Compound_647	CCCC(=O)CC/C=C/C=C/C#CC#C/C=C/C	0.92	0.112	0.404	0.571	0.284	0.494	0.998	0.827	0.73	1.0	0.775
Compound_648	COC(=O)[C@@]12O[C@H]3[C@]([C@H]1OC(=O)C)(CC)[C@H]1[C@@]4([C@H]2N(C)c2c4cccc2)CCN1CC3	0.764	0.759	0.003	0.144	0.636	0.521	0.327	0.28	0.431	0.384	0.702
Compound_649	OC[C@H]1O[C@@H](S/C(=N\OS(=O)(=O)O)/C)[C@@H]([C@H]([C@@H]1O)O)O	0.455	0.463	0.002	0.216	0.468	0.464	0.076	0.092	0.387	0.224	0.398
Compound_650	C=CCC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.622	0.493	0.003	0.252	0.74	0.545	0.35	0.532	0.333	0.382	0.454
Compound_651	CCCCC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.555	0.438	0.002	0.246	0.479	0.466	0.174	0.103	0.397	0.171	0.423
Compound_652	C=CCCC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.556	0.473	0.003	0.24	0.736	0.547	0.35	0.499	0.331	0.339	0.465
Compound_653	C=C[C@@H](CC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O	0.614	0.493	0.016	0.256	0.789	0.573	0.35	0.532	0.385	0.399	0.456
Compound_654	C=CCCCC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.623	0.473	0.004	0.26	0.736	0.547	0.35	0.541	0.335	0.339	0.465
Compound_655	C=CC[C@@H](CC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O	0.664	0.493	0.004	0.252	0.731	0.542	0.35	0.607	0.33	0.399	0.456
Compound_656	CSCCC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.476	0.438	0.001	0.234	0.479	0.466	0.174	0.216	0.351	0.481	0.436
Compound_657	CSCCCC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.551	0.448	0.001	0.227	0.479	0.466	0.174	0.26	0.367	0.432	0.438
Compound_658	OC[C@H]1O[C@@H](SC(=NOS(=O)(=O)O)CCCS(=O)C)[C@@H]([C@H]([C@@H]1O)O)O	0.54	0.448	0.001	0.262	0.334	0.419	0.085	0.073	0.381	0.37	0.414
Compound_659	OC[C@H]1O[C@@H](SC(=NOS(=O)(=O)O)CCCS(=O)(=O)C)[C@@H]([C@H]([C@@H]1O)O)O	0.54	0.448	0.001	0.262	0.334	0.419	0.085	0.13	0.401	0.37	0.414
Compound_660	CSCCCCC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.531	0.418	0.002	0.255	0.479	0.466	0.174	0.255	0.383	0.519	0.445
Compound_661	OC[C@H]1O[C@@H](SC(=NOS(=O)(=O)O)CCCCS(=O)(=O)C)[C@@H]([C@H]([C@@H]1O)O)O	0.514	0.418	0.001	0.262	0.334	0.419	0.085	0.13	0.401	0.455	0.422
Compound_662	CS/C=C/CC([C@@]1(S)O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)C(=O)NOS(=O)(=O)O	0.443	0.492	0.069	0.346	0.573	0.534	0.606	0.629	0.385	0.261	0.423
Compound_663	CSCCCCCC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.561	0.434	0.002	0.255	0.479	0.466	0.174	0.255	0.384	0.448	0.451
Compound_664	OC[C@H]1O[C@@H](SC(=NOS(=O)(=O)O)CCCCCS(=O)C)[C@@H]([C@H]([C@@H]1O)O)O	0.562	0.434	0.001	0.262	0.334	0.419	0.085	0.073	0.391	0.385	0.428
Compound_665	OC[C@H]1O[C@@H](SC(=NOS(=O)(=O)O)Cc2ccccc2)[C@@H]([C@H]([C@@H]1O)O)O	0.573	0.544	0.002	0.24	0.473	0.61	0.265	0.143	0.392	0.357	0.436
Compound_666	OC[C@H]1O[C@@H](SC(=NOS(=O)(=O)O)Cc2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O	0.649	0.534	0.002	0.292	0.753	0.728	0.335	0.106	0.41	0.445	0.451
Compound_667	OC[C@H]1O[C@@H](SC(=NOS(=O)(=O)O)Cc2ccc(cc2)OC)[C@@H]([C@H]([C@@H]1O)O)O	0.614	0.564	0.004	0.301	0.561	0.679	0.292	0.083	0.38	0.44	0.445
Compound_668	OC[C@H]1O[C@@H](SC(=NOS(=O)(=O)O)CCc2ccccc2)[C@@H]([C@H]([C@@H]1O)O)O	0.588	0.523	0.009	0.254	0.473	0.61	0.265	0.074	0.371	0.35	0.449
Compound_669	CCC(/C(=N/OS(=O)(=O)O)/S[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)C	0.537	0.473	0.026	0.254	0.466	0.438	0.29	0.065	0.403	0.233	0.397
Compound_670	OC[C@H]1O[C@@H](SC(=NOS(=O)(=O)O)Cc2c[nH]c3c2cccc3)[C@@H]([C@H]([C@@H]1O)O)O	0.545	0.594	0.078	0.285	0.607	0.657	0.004	0.206	0.388	0.239	0.53
Compound_671	OC[C@H]1O[C@@H](S/C(=N\OS(=O)(=O)O)/Cc2cn(c3c2cccc3)OC)[C@@H]([C@H]([C@@H]1O)O)O	0.617	0.657	0.022	0.288	0.571	0.586	0.034	0.591	0.395	0.314	0.577
Compound_672	OC[C@H]1O[C@@H](SC(=NOS(=O)(=O)O)Cc2c[nH]c3c2c(O)ccc3)[C@@H]([C@H]([C@@H]1O)O)O	0.59	0.584	0.078	0.315	0.747	0.655	0.005	0.052	0.378	0.281	0.545
Compound_673	CSCCCCCCC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.542	0.434	0.002	0.255	0.491	0.469	0.204	0.255	0.386	0.448	0.451
Compound_674	OC[C@H]1O[C@@H](SC(=NOS(=O)(=O)O)CC(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.537	0.473	0.011	0.221	0.466	0.438	0.29	0.065	0.379	0.235	0.402
Compound_675	COC(=O)C1=C2Nc3c([C@@]42[C@@H]2[C@@](C1)(CC)[C@H]1O[C@H]1CN2CC4)cccc3	0.689	0.719	0.041	0.187	0.819	0.508	0.661	0.533	0.371	0.042	0.671
Compound_676	OC[C@H]1O[C@@H](SC(=NOS(=O)(=O)O)Cc2c[nH]c3c2c(OC)ccc3)[C@@H]([C@H]([C@@H]1O)O)O	0.525	0.614	0.089	0.306	0.666	0.654	0.006	0.105	0.389	0.354	0.535
Compound_677	OC[C@H]1O[C@@H](SC(=NOS(=O)(=O)O)CC(O)(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.577	0.498	0.003	0.222	0.468	0.453	0.279	0.061	0.396	0.248	0.414
Compound_678	OC[C@H]1O[C@@H](Oc2ccc(cc2)OC)[C@@H]([C@H]([C@@H]1O)O)O	0.374	0.357	0.099	0.434	0.451	0.407	0.089	0.152	0.389	0.175	0.065
Compound_679	Oc1c(C2CCCCN2)c(O)c2c3c1C(=O)c1c(O)cc(c4c1c3c1c3c2c(O)c(C2CCCCN2)c(c3C(=O)c2c1c4c(C)cc2O)O)C	0.476	0.654	0.114	0.391	0.82	0.96	0.641	0.312	0.518	0.016	0.377
Compound_680	Cc1cc(O)c2c(c1)c1c3c4cc(C)cc(c4C(=O)c4c3c(c3c1c(C2=O)c(O)c(c3O)C1CCCCN1)c(c(c4O)C1CCCCN1)O)O	0.486	0.654	0.395	0.405	0.82	0.96	0.641	0.336	0.608	0.016	0.377
Compound_681	CC[C@@]12CN3CCc4c([C@@](C[C@@H]([C@H]2O1)C3)(C(=O)OC)c1cc2c(cc1OC)N([C@@H]1[C@@]32CCN2[C@H]3[C@@](CC)(C=CC2)[C@H]([C@]1(O)C(=O)OC)OC(=O)C)C)[nH]c1c4cccc1	0.802	0.819	0.105	0.366	0.903	0.653	0.964	0.774	0.776	0.878	0.97
Compound_682	COc1cc2N(C)[C@@H]3[C@@]4(c2cc1[C@]1(C[C@@H]2CN(CCc5c1[nH]c1c5cccc1)C[C@@](C2)(O)CC)C(=O)OC)CCN1[C@H]4[C@@]([C@H]([C@]3(O)C(=O)OC)OC(=O)C)(CC)C=CC1	0.794	0.819	0.336	0.383	0.872	0.653	0.958	0.774	0.78	0.878	0.981
Compound_683	Oc1cc(O)c2c3c1C(=O)c1c(O)cc4c5c1c3c1c3c2c(O)cc(c3C(=O)c2c1c5c(CC4)cc2O)O	0.896	0.757	0.851	0.561	0.986	0.99	0.88	0.883	0.601	0.21	0.88
Compound_684	OC[C@H]1O[C@@H](Oc2cccc3c2C(=O)c2c(C3=O)cc(cc2O)C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O	0.553	0.399	0.13	0.505	0.277	0.565	0.956	0.875	0.668	0.033	0.817
Compound_685	OC[C@H]1O[C@@H](Oc2cc(O[C@@H]3OC[C@]([C@H]3O)(O)CO)cc3c2C(=O)c2c(C3)cc(cc2O)C)[C@@H]([C@H]([C@@H]1O)O)O	0.537	0.606	0.768	0.641	0.936	0.973	0.869	0.791	0.722	0.736	0.427
Compound_686	OC[C@H]1O[C@@H](Oc2cc(O)cc3c2C(=O)c2c(C3=O)cc(cc2O)C)[C@@H]([C@H]([C@@H]1O)O)O	0.541	0.414	0.583	0.644	0.913	0.951	0.97	0.71	0.736	0.032	0.643
Compound_687	OC[C@@]1(O)CO[C@H]([C@@H]1O)Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C	0.492	0.593	0.624	0.654	0.937	0.969	0.937	0.554	0.8	0.752	0.618
Compound_688	COC(=O)C1=C2Nc3c([C@@]42[C@@H]2[C@](C1)(C=CCN2CC4)C(O)C)cccc3	0.684	0.682	0.058	0.249	0.579	0.586	0.393	0.966	0.389	0.005	0.539
Compound_689	OCc1c(O[C@@H]2O[C@H](CO[C@@H]3OC[C@H]([C@@H]([C@H]3O)O)O)[C@H]([C@@H]([C@H]2O)O)O)cc2c(c1O)C(=O)c1c(C2=O)cccc1	0.595	0.413	0.195	0.646	0.957	0.971	0.964	0.283	0.661	0.455	0.791
Compound_690	CC(=O)c1c(C)cc2c(c1O)c(O)c(cc2)c1ccc2c(c1O)c(O)c(c(c2)C)C(=O)C	0.934	0.855	0.88	0.797	0.952	0.971	0.828	0.997	0.796	0.435	0.896
Compound_691	N#C/C=C\1/C=C[C@H](C[C@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O	0.585	0.464	0.161	0.483	0.652	0.618	0.078	0.332	0.614	0.142	0.221
Compound_692	OC[C@H]1O[C@@H](OCC(=CC#N)CO)[C@@H]([C@H]([C@@H]1O)O)O	0.594	0.319	0.039	0.469	0.55	0.3	0.09	0.737	0.565	0.234	0.228
Compound_693	OC[C@H]1O[C@@H](OC/C(=C\C#N)/C)[C@@H]([C@H]([C@@H]1O)O)O	0.56	0.293	0.038	0.479	0.444	0.193	0.091	0.774	0.564	0.182	0.056
Compound_694	OC[C@H]1O[C@@H](OC(CC#N)(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.36	0.25	0.012	0.405	0.239	0.188	0.122	0.103	0.521	0.011	0.064
Compound_695	O=C(OC[C@H]1O[C@@H](OCCc2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)/C=C/c1ccc(c(c1)O)O	0.793	0.463	0.036	0.624	0.942	0.58	0.356	0.44	0.432	0.718	0.243
Compound_696	COC(=O)C1=C2Nc3c([C@@]42[C@@H]2[C@@](C1)(CC)C=CCN2CC4)ccc(c3)O	0.718	0.677	0.361	0.412	0.899	0.651	0.63	0.948	0.436	0.048	0.785
Compound_697	COc1ccc2c(c1)NC1=C(C[C@]3([C@H]4[C@@]21CCN4CC=C3)CC)C(=O)OC	0.724	0.687	0.268	0.356	0.757	0.653	0.825	0.749	0.476	0.603	0.805
Compound_698	C=CCC=CCC=CCCCCCCCC1=C(O)C(=O)C=C(C1=O)OC	0.888	0.445	0.308	0.465	0.098	0.392	0.995	0.986	0.145	0.286	0.506
Compound_699	C=CC/C=C/C/C=C/CCCCCCCC1=C(O)C(=O)C=C(C1=O)OCC	0.848	0.509	0.501	0.431	0.128	0.725	0.998	0.959	0.076	0.555	0.683
Compound_700	OCC1=CCc2c(OC1)cc(c1c2oc(C)cc1=O)O	0.803	0.639	0.768	0.602	0.753	0.82	0.276	0.895	0.669	0.603	0.51
Compound_701	OC[C@H]1O[C@@H](OCC2=CCc3c(OC2)cc(c2c3oc(C)cc2=O)O)[C@@H]([C@H]([C@@H]1O)O)O	0.732	0.481	0.416	0.54	0.833	0.739	0.737	0.455	0.629	0.735	0.704
Compound_702	C/C(=C\COc1ccc2c(c1)oc(=O)cc2)/CCC=C(C)C	0.411	0.708	0.995	0.642	0.83	0.357	0.74	0.922	0.776	0.976	0.555
Compound_703	OC[C@H]1O[C@@H](Oc2ccccc2/C=C/C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O	0.458	0.295	0.046	0.392	0.349	0.298	0.249	0.159	0.528	0.584	0.371
Compound_704	C/C=C(\C(=O)O[C@@H](C(O)(C)C)COc1c2ccoc2cc2c1ccc(=O)o2)/C	0.311	0.681	0.749	0.525	0.308	0.7	0.88	0.853	0.678	0.263	0.98
Compound_705	O=c1ccc2c(o1)cc1c(c2OCC2OC2(C)C)cco1	0.229	0.678	0.077	0.5	0.41	0.729	0.248	0.398	0.582	0.112	0.976
Compound_706	CON1c2ccccc2[C@]2(C1=O)[C@@H]1OC[C@@H]3[C@@H]4[C@H]2[C@@]([C@@H]3C1)(C=C)CN4C	0.607	0.779	0.036	0.244	0.523	0.586	0.042	0.454	0.367	0.03	0.665
Compound_707	O=c1ccc2c(o1)cc1c(c2)C[C@H](O1)C(O)(C)C	0.671	0.649	0.793	0.618	0.828	0.46	0.175	0.194	0.718	0.258	0.707
Compound_708	C/C=C(\C(=O)O[C@@H]1c2c(OC1C(OC(=O)C(=CC)C)(C)C)ccc1c2oc(=O)cc1)/C	0.806	0.663	0.961	0.725	0.697	0.226	0.983	0.993	0.795	0.524	0.777
Compound_709	O=c1ccc2c(o1)cc1c(c2OC[C@H](C(O)(C)C)O)cco1	0.2	0.686	0.377	0.519	0.236	0.753	0.556	0.039	0.404	0.125	0.924
Compound_710	O=c1ccc2c(o1)c(O)c1c(c2)C[C@H](O1)C(O)(C)C	0.736	0.651	0.519	0.572	0.865	0.165	0.075	0.375	0.664	0.352	0.744
Compound_711	CC[C@H]1N[C@@H]2[C@@H]3[C@H]1C[C@H]([C@]1(C2)c2ccccc2N(C1=O)OC)OC3	0.589	0.807	0.093	0.312	0.52	0.467	0.022	0.064	0.354	0.012	0.761
Compound_712	C=CC(c1cc2cc3C[C@H](Oc3cc2oc1=O)C(OC(=O)C)(C)C)(C)C	0.723	0.705	0.894	0.593	0.905	0.694	0.985	0.994	0.809	0.666	0.901
Compound_713	OC[C@H]1O[C@@H](Oc2c3O[C@@H](Cc3cc3c2oc(=O)cc3)C(O)(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.652	0.75	0.245	0.454	0.207	0.339	0.808	0.376	0.575	0.273	0.588
Compound_714	COc1cc(cc(c1OC)OC)[C@H]1[C@H]2C(=O)OC[C@@H]2Cc2c1cc1OCOc1c2	0.89	0.817	0.936	0.589	0.924	0.828	0.998	0.212	0.955	0.519	0.984
Compound_715	COc1cc(cc(c1OC)OC)[C@H]1[C@H]2C(=O)OC[C@@H]2C(=O)c2c1cc1OCOc1c2	0.86	0.797	0.916	0.56	0.936	0.886	0.998	0.06	0.81	0.247	0.994
Compound_716	C1CCc2c(C1)cc1n(c2)ccc2c1nc1c2cccc1	0.505	0.672	0.24	0.619	0.248	0.699	0.872	0.501	0.758	0.763	0.369
Compound_717	CCCC(=O)c1c(O)cc(c(c1O)C)OC	0.763	0.313	0.704	0.612	0.651	0.864	0.769	0.11	0.561	0.374	0.5
Compound_718	CCCC(=O)C1=C(O)C(=C(C(C1=O)(C)C)O)Cc1c(O)c(C)c(c(c1O)C(=O)CCC)OC	0.768	0.699	0.389	0.537	0.755	0.97	0.958	0.781	0.461	0.696	0.927
Compound_719	CCCC(=O)c1c(O)c(CC2=C(O)C(C(=O)C(=C2O)C(=O)CC)(C)C)c(c(c1OC)C)O	0.731	0.699	0.389	0.515	0.768	0.96	0.969	0.783	0.388	0.696	0.927
Compound_720	CCCC(=O)C1=C(O)C(=C(C(C1=O)(C)C)O)CC1=C(O)C(C(=O)C(=C1O)C(=O)CCC)(C)C	0.892	0.724	0.083	0.565	0.841	0.919	0.995	0.919	0.364	0.739	0.719
Compound_721	CC(=O)C1=C(O)C(=C(C(C1=O)(C)C)O)CC1=C(O)C(C(=O)C(=C1O)C(=O)C)(C)C	0.779	0.628	0.128	0.499	0.794	0.868	0.884	0.858	0.46	0.848	0.783
Compound_722	CCCC1=CC(=O)C(C(=O)O1)CC1=C(O)C(C(=O)C(=C1O)C(=O)CCC)(C)C	0.867	0.74	0.137	0.601	0.926	0.867	0.988	0.996	0.355	0.906	0.401
Compound_723	CCCC(=O)c1c(O)c(CC2=C(O)C(C(=O)C(=C2O)C(=O)CCC)(C)C)c(c(c1O)CC1=C(O)C(C(=O)C(=C1O)C(=O)CCC)(C)C)O	0.804	0.726	0.036	0.491	0.904	0.981	0.94	0.813	0.452	0.964	0.903
Compound_724	O=c1c2CCCCc2cc2n1ccc1c2[nH]c2c1cccc2	0.716	0.751	0.923	0.444	0.437	0.664	0.488	0.137	0.511	0.842	0.51
Compound_725	CC(=CCC1=C(O)C(C(=O)C(=C1O)C(=O)C(C)C)(O)CC=C(C)C)C	0.771	0.468	0.089	0.559	0.605	0.661	0.967	0.963	0.344	0.573	0.621
Compound_726	CCC(C(=O)C1=C(O)C(=C(C(C1=O)(O)CC=C(C)C)O)CC=C(C)C)C	0.78	0.471	0.089	0.561	0.605	0.661	0.967	0.963	0.611	0.745	0.622
Compound_727	CC(=CCC1=C(O)C(C(=O)C(=C1O)C(=O)C(C)C)(CC=C(C)C)CC=C(C)C)C	0.851	0.412	0.089	0.585	0.749	0.872	0.997	0.956	0.217	0.939	0.835
Compound_728	CCC(C(=O)C1=C(O)C(=C(C(C1=O)(CC=C(C)C)CC=C(C)C)O)CC=C(C)C)C	0.859	0.415	0.089	0.587	0.749	0.872	0.997	0.954	0.436	0.971	0.831
Compound_729	CC(=CC[C@@]12C[C@H](CC=C(C)C)[C@@]3([C@](C2=O)(C(=C(C1=O)CC=C(C)C)O[C@@H](CC3)C(O)(C)C)C(=O)C(C)C)C)C	0.782	0.909	0.05	0.557	0.52	0.427	0.818	0.927	0.382	0.18	0.3
Compound_730	CCCCCCC=CCCCCCCCCCc1cccc(c1C(=O)O)O	0.797	0.367	0.083	0.349	0.516	0.204	0.725	0.586	0.704	0.981	0.371
Compound_731	CCCCCCC=CCCCCCCCCCc1cccc(c1)O	0.971	0.208	0.665	0.644	0.599	0.311	0.985	0.979	0.633	0.966	0.696
Compound_732	CCCCCCC=CCCCCCCCc1cccc(c1O)O	0.927	0.368	0.54	0.607	0.663	0.116	0.938	0.982	0.921	0.991	0.65
Compound_733	CCC/C=C/C/C=C/CCCCCCCc1cccc(c1O)O	0.871	0.358	0.492	0.607	0.663	0.116	0.938	0.982	0.824	0.988	0.356
Compound_734	CC=CC=CCC=CCCCCCCCc1cccc(c1O)O	0.89	0.337	0.642	0.592	0.676	0.061	0.911	0.991	0.787	0.966	0.177
Compound_735	CCCCCCC=CCCCCCCCCCC1=CC(=O)C=C(C1=O)OC	0.923	0.465	0.801	0.616	0.071	0.499	0.993	0.922	0.69	0.966	0.91
Compound_736	CC[C@@]12CCCN3[C@H]2c2n([C@H](C1)O)c1c(c2CC3)cccc1	0.222	0.848	0.081	0.497	0.273	0.426	0.007	0.046	0.14	0.217	0.848
Compound_737	CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C	0.869	0.637	0.688	0.58	0.672	0.595	0.577	0.978	0.952	0.987	0.901
Compound_738	CCCCCc1cc2OC(C)(CCC=C(C)C)C=Cc2c(c1C(=O)O)O	0.807	0.639	0.132	0.55	0.94	0.966	0.886	0.871	0.789	0.998	0.711
Compound_739	CCCCCC1=CC(=C2C(C1)(OC(C1C2C=C(C)C=C1)(C)C)C(=O)O)O	0.798	0.9	0.043	0.438	0.753	0.69	0.46	0.826	0.237	0.96	0.128
Compound_740	COC(=O)[C@@]1(O)C[C@]2(CC)CCCN3[C@@H]2c2n1c1cc(OC)ccc1c2CC3	0.495	0.766	0.033	0.451	0.646	0.378	0.34	0.216	0.19	0.167	0.704
Compound_741	CCCc1cc(O)c2c(c1)OC(C1C2C=C(C)CC1)(C)C	0.575	0.611	0.821	0.595	0.865	0.606	0.539	0.844	0.756	0.991	0.906
Compound_742	Oc1cc2O[C@H](c3cc(O)c(c(c3)O)O)[C@H](Cc2c(c1)O)O	0.046	0.719	0.212	0.623	0.892	0.136	0.028	0.491	0.476	0.064	0.087
Compound_743	Oc1cc(O)c2c(c1)O[C@@H]([C@H](C2)OC(=O)c1cc(O)c(c(c1)O)O)c1ccc(c(c1)O)O	0.323	0.701	0.96	0.637	0.994	0.442	0.678	0.463	0.299	0.046	0.227
Compound_744	Oc1cc(O)c2c(c1)O[C@@H]([C@@H](C2)OC(=O)c1cc(O)c(c(c1)O)O)c1ccc(c(c1)O)O	0.323	0.701	0.96	0.637	0.994	0.442	0.678	0.463	0.299	0.046	0.227
Compound_745	Oc1cc(O)c2c(c1)O[C@@H]([C@H](C2)OC(=O)c1cc(O)c(c(c1)O)O)c1cc(O)c(c(c1)O)O	0.291	0.701	0.964	0.602	0.989	0.397	0.646	0.447	0.495	0.046	0.227
Compound_746	C/C=C\1/CN2[C@@H]3C4[C@H]1C[C@H]2[C@H]1[C@@](C4OC(=O)C)(C3)c2c(N1C)ccc(c2)OC	0.711	0.707	0.117	0.336	0.546	0.567	0.1	0.852	0.351	0.755	0.769
Compound_747	Oc1cc(O)c2c(c1)O[C@@H]([C@H]([C@@H]2c1c(O)cc(c2c1O[C@H](c1ccc(c(c1)O)O)[C@H]([C@@H]2c1c(O)cc(c2c1O[C@@H]([C@H](C2)O)c1ccc(c(c1)O)O)O)O)O)O)c1ccc(c(c1)O)O	0.242	0.675	0.174	0.622	0.995	0.775	0.303	0.604	0.291	0.087	0.195
Compound_748	O=C1OC2COC(=O)c3cc(O)c(c(c3c3c(C(=O)OC2C2OC(=O)c4c(c5c1cc(O)c(c5O)O)c(O)c(O)c(c4c1c4C(=O)OC2C(O)c4c(c(c1O)O)O)O)cc(O)c(c3O)O)O)O	0.879	0.554	0.957	0.546	0.892	0.674	0.608	0.699	0.436	0.032	0.955
Compound_749	O=C(c1cc(O)c(c(c1)O)O)O[C@@H]1[C@@H](OC(=O)c2cc(O)c(c(c2)O)O)[C@@H](O[C@H]2[C@H]1OC(=O)c1cc(O)c(c(c1c1c(C(=O)OC2)cc(c(c1O)O)O)O)O)OC(=O)c1cc(O)c(c(c1)O)O	0.889	0.57	0.992	0.716	0.995	0.799	0.669	0.99	0.603	0.027	0.989
Compound_750	COC(=O)C12[C@@H]3C[C@@]4(C2O)c2ccccc2N([C@@H]4[C@H]2N3C/C(=C/C)/[C@@H]1C2)C	0.597	0.777	0.055	0.213	0.418	0.499	0.006	0.84	0.301	0.203	0.69
Compound_751	C/C(=C\Cc1c(O)cc2c(c1O)C(=O)CC(O2)c1ccc(c(c1)O)O)/CCC=C(C)C	0.635	0.721	0.633	0.562	0.954	0.792	0.163	0.927	0.318	0.69	0.629
Compound_752	COC(=O)C12[C@@H]3C[C@]4(C2O)C([C@H]2N3C/C(=C/C)/[C@@H]1C2)Nc1c4cccc1	0.526	0.767	0.151	0.191	0.387	0.492	0.053	0.946	0.335	0.005	0.713
Compound_753	C/C=C\1/CN2[C@H]3C[C@H]1C1([C@@H]2C[C@]2(C1OC(=O)C)[C@@H]3N(C)c1c2cccc1)C(=O)OC	0.74	0.764	0.13	0.196	0.426	0.507	0.097	0.586	0.328	0.579	0.853
Compound_754	COc1ccc2c(c1)C13C[C@H]4[C@@H]([C@H]1OC(=O)C)[C@H]1CC(C3=N2)N4[C@H](C1COC(=O)C)C	0.741	0.802	0.252	0.389	0.564	0.574	0.035	0.333	0.365	0.605	0.878
Compound_755	OC(=O)CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(c2)occ(c3=O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O	0.704	0.524	0.199	0.519	0.872	0.886	0.931	0.238	0.644	0.021	0.805
Compound_756	COc1cc2c(cc1O[C@@H]1O[C@H](COC(=O)CC(=O)O)[C@H]([C@@H]([C@H]1O)O)O)occ(c2=O)c1ccc(cc1)O	0.682	0.617	0.092	0.489	0.809	0.724	0.727	0.54	0.608	0.031	0.33
Compound_757	OC(=O)CC(=O)OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)occ(c3=O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O	0.71	0.564	0.115	0.52	0.939	0.88	0.939	0.271	0.65	0.021	0.427
Compound_758	CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(c2)occ(c3=O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O	0.741	0.616	0.573	0.824	0.854	0.819	0.871	0.338	0.874	0.047	0.5
Compound_759	COc1cc2c(cc1O[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1O)O)O)occ(c2=O)c1ccc(cc1)O	0.683	0.69	0.353	0.795	0.802	0.653	0.727	0.723	0.838	0.041	0.915
Compound_760	CC(=O)OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)occ(c3=O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O	0.711	0.546	0.412	0.819	0.935	0.827	0.931	0.374	0.885	0.047	0.862
Compound_761	OCC(=C)[C@@H]1Oc2c(C1)c1O[C@@H]3COc4c([C@@H]3C(=O)c1cc2)cc(c(c4)OC)OC	0.647	0.621	0.391	0.497	0.921	0.908	0.837	0.965	0.327	0.13	0.813
Compound_762	OCC(=C)C1Oc2c(C1)c1OC3COc4c(C3(C(=O)c1cc2)O)cc(c(c4)OC)OC	0.62	0.67	0.386	0.542	0.881	0.819	0.468	0.963	0.362	0.118	0.85
Compound_763	OCC1OC(OCC(=C)C2Oc3c(C2)c2OC4COc5c(C4(C(=O)c2cc3)O)cc(c(c5)OC)OC)C(C(C1O)O)O	0.69	0.664	0.109	0.537	0.924	0.892	0.443	0.808	0.395	0.25	0.573
Compound_764	COC(=O)[C@]12CO[C@@]34[C@@]2(CCN2[C@H]3C[C@@H]1/C(=C\C)/C2)c1cc(O)ccc1N4C	0.82	0.759	0.26	0.408	0.78	0.453	0.097	0.942	0.348	0.86	0.53
Compound_765	COc1cc2c(cc1OC)OCC1C2C(=O)c2c(O1)c1CC(Oc1cc2)C(=C)CO[C@@H]1OC(CO[C@@H]2OC[C@@H](C(C2O)O)O)[C@H]([C@@H](C1O)O)O	0.716	0.745	0.17	0.563	0.971	0.831	0.601	0.828	0.374	0.489	0.446
Compound_766	OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H](C2)CC[C@@H]2[C@@H]3CC(=O)[C@]3([C@H]2C[C@H]2[C@@H]3[C@H](C)[C@]3(O2)CC[C@H](CO3)C)C)C)[C@@H]([C@H]([C@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)O)O	0.423	0.845	0.0	0.35	0.975	0.722	0.26	0.431	0.601	0.896	0.366
Compound_767	OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H](C2)CC[C@@H]2[C@@H]3CC(=O)[C@]3([C@H]2C[C@H]2[C@@H]3[C@H](C)[C@]3(O2)CC[C@H](CO3)C)C)C)[C@@H]([C@H]([C@H]1O)O)O	0.229	0.824	0.001	0.331	0.938	0.902	0.26	0.257	0.606	0.896	0.5
Compound_768	OC[C@H]1O[C@@H](OC[C@H](CC[C@@]2(O)O[C@@H]3[C@H]([C@@H]2C)[C@@]2([C@@H](C3)[C@@H]3CC[C@H]4[C@]([C@H]3CC2)(C)CC[C@@H](C4)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.574	0.824	0.008	0.448	0.936	0.832	0.387	0.301	0.775	0.843	0.418
Compound_769	OC[C@H]1O[C@@H](OC2CC[C@]3(C(C2)CCC2C3CC[C@]3(C2C[C@H]2[C@@H]3[C@H](C)C3(O2)CC[C@@H](CO3)C)C)C)[C@@H]([C@H]([C@@H]1O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O	0.447	0.804	-0.0	0.361	0.951	0.881	0.421	0.114	0.937	0.843	0.547
Compound_770	OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@H]2C[C@H]2[C@@H]3[C@H](C)[C@]3(O2)CC[C@@H](CO3)C)C)C)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@@H](CO)[C@@H]([C@H]([C@@H]1O)O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O	0.583	0.804	-0.0	0.348	0.982	0.844	0.421	0.183	0.937	0.843	0.547
Compound_771	OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@H]2C[C@H]2[C@@H]3[C@H](C)[C@@](O2)(O)CC[C@H](CO[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.681	0.824	0.004	0.499	0.984	0.863	0.421	0.301	0.811	0.843	0.418
Compound_772	OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@]3(O)[C@H](C)[C@]3(O4)CC[C@H](CO3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O	0.76	0.98	0.0	0.582	0.978	0.693	0.345	0.163	0.886	0.891	0.069
Compound_773	COCc1c(CO)cnc(c1O)C	0.175	0.35	0.07	0.291	0.032	0.257	0.006	0.044	0.465	0.005	0.268
Compound_774	CCCC1=NCCCC1	0.773	0.249	0.693	0.533	0.125	0.512	0.506	0.606	0.877	0.259	0.207
Compound_775	CCCCCCCCCCCCCCCc1cccc(c1C(=O)O)O	0.732	0.31	0.056	0.304	0.516	0.204	0.725	0.063	0.686	0.938	0.264
Compound_776	C=C1CC[C@@H]2C[C@H]1C2(C)C	0.99	0.394	0.564	0.509	0.71	0.559	0.854	0.965	0.669	0.997	0.867
Compound_777	COc1cc2cc(Oc3ccc4c(c3)oc(=O)cc4)c(=O)oc2cc1O	0.716	0.746	0.907	0.592	0.482	0.588	0.791	0.298	0.762	0.082	0.862
Compound_778	COc1c2cc(OC)ccc2nc2c1cco2	0.345	0.736	0.961	0.723	0.566	0.673	0.477	0.641	0.882	0.568	0.882
Compound_779	O=C1O[C@H]2[C@H]([C@@H]1C)CC[C@](C1=CCC(=C21)C)(C)O	0.839	0.789	0.058	0.509	0.711	0.118	0.607	0.913	0.37	0.991	0.196
Compound_780	Cc1c2[n+](CCc3c2cc2OCOc2c3)cc2c1ccc1c2OCO1	0.13	0.648	0.986	0.715	0.29	0.833	0.028	0.996	0.113	0.606	0.884
Compound_781	COc1cc2oc(=O)c(cc2cc1OC)C(C=C)(C)C	0.675	0.591	0.942	0.663	0.743	0.239	0.663	0.98	0.889	0.182	0.726
Compound_782	CN1Cc2c3OCOc3ccc2c2c1c1cc3OCOc3cc1cc2	0.452	0.696	0.988	0.6	0.659	0.719	0.594	0.991	0.522	0.939	0.751
Compound_783	OC[C@H]1O[C@H](OC(=O)[C@@]23CCC(C[C@@H]3C3=CC[C@H]4[C@@]([C@@]3(CC2)C)(C)CCC2[C@]4(C)CC[C@@H](C2(C)C)O[C@@H]2OC[C@@H]([C@@H]([C@H]2O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)O)O)(C)C)[C@@H]([C@H]([C@@H]1O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.803	0.96	0.006	0.528	0.977	0.727	0.601	0.706	0.721	0.874	0.018
Compound_784	COc1c2c(=O)cc(oc2cc2c1cco2)CO	0.192	0.633	0.737	0.364	0.02	0.428	0.128	0.148	0.31	0.03	0.976
Compound_785	Oc1ccc2c(c1)c1c3OCOc3cc(c1c(c2)N(=O)=O)C(=O)O	0.582	0.767	0.547	0.478	0.949	0.916	0.995	0.963	0.423	0.981	0.932
Compound_786	O=c1ccc2c(o1)c1ccoc1cc2	0.173	0.544	0.948	0.557	0.122	0.716	0.155	0.651	0.64	0.694	0.911
Compound_787	OCc1cc(O)c2c3c1c1c(C)cc(c4c1c1c3c3c(C2=O)c(O)cc(c3c2c1c(C4=O)c(O)cc2O)O)O	0.704	0.649	0.732	0.511	0.983	0.99	0.594	0.331	0.637	0.113	0.825
Compound_788	COc1c(O)cc(c2c1oc(c1ccc(cc1)O)c(c2=O)O)O	0.748	0.898	0.948	0.807	0.791	0.347	0.988	0.976	0.855	0.008	0.715
Compound_789	COC1=CC(=O)c2c(C1=O)ccc1c2ccc(c1OC)O	0.647	0.815	0.948	0.716	0.351	0.684	0.762	0.981	0.539	0.335	0.973
Compound_790	COc1cc2CN3CCC4=C[C@@H]([C@H]([C@@H](c2cc1O)[C@H]34)O)O	0.7	0.654	0.128	0.221	0.07	0.119	0.005	0.668	0.249	0.191	0.093
Compound_791	CC=C(C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@H](O)C)(C(C)C)O)C	0.487	0.699	0.054	0.209	0.131	0.239	0.019	0.316	0.361	0.407	0.598
Compound_792	CC1=CC[C@@H]2[C@@H](C1)[C@@H](CC=C2C)C(C)C	0.96	0.381	0.4	0.528	0.493	0.174	0.433	0.933	0.872	0.998	0.88
Compound_793	C=C1CCC2C(=C)C(=O)OC2C2C(CCC1=O)(C)O2	0.976	0.738	0.069	0.554	0.819	0.513	0.987	0.8	0.662	0.965	0.923
Compound_794	OC[C@H]1O[C@@H](SC(=NOS(=O)(=O)O)C(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.498	0.483	0.001	0.228	0.466	0.449	0.29	0.101	0.374	0.186	0.396
Compound_795	OC[C@H]1O[C@@H](O[C@H]2[C@@H](OC[C@H]([C@@H]2O)O[C@@H]2OC[C@@H]([C@@H]([C@H]2O)O)O)O[C@@H]2[C@@H](O)[C@@H](O[C@@H]([C@H]2O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)C(=O)O)O[C@H]2CC[C@]3([C@H]([C@@]2(C)C=O)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)CC[C@@]2([C@H]3CC(C)(C)CC2)C(=O)O[C@@H]2O[C@H](C)[C@@H]([C@@H]([C@H]2O)O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)O)O[C@@H]2O[C@H](CO)[C@@H]([C@@H]([C@H]2O)O)O)O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)O)C)C)[C@@H]([C@H]([C@H]1O)O)O	0.685	0.96	0.002	0.554	0.945	0.73	0.714	0.698	0.557	0.819	0.1
Compound_796	COC1C=CC2=CCN3C2(C1)c1cc(OC)c(cc1CC3)OC	0.736	0.786	0.205	0.241	0.025	0.435	0.003	0.194	0.642	0.086	0.193
Compound_797	COc1c2ccccc2nc2c1cco2	0.32	0.715	0.97	0.632	0.515	0.657	0.563	0.661	0.717	0.926	0.838
Compound_798	O[C@@H]1C[C@H]2C(=O)[C@@H](C[C@@]34[C@@H]1CCCN4CCC=C23)C	0.575	0.754	0.099	0.305	0.2	0.155	0.003	0.734	0.406	0.079	0.064
Compound_799	O[C@@H]1C[C@H]2C(=O)[C@@H](C[C@@]34[C@@H]1CCCN4CCC[C@H]23)C	0.44	0.7	0.081	0.312	0.062	0.258	0.002	0.034	0.391	0.042	0.157
Compound_800	CCCCCC(=O)N[C@H]([C@H](C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@H]3[C@@](C(=O)[C@@H](C(=C1C)C2(C)C)OC(=O)C)(C)[C@@H](O)C[C@@H]1[C@]3(CO1)OC(=O)C)O)c1ccccc1	0.948	0.749	0.004	0.506	0.439	0.777	0.32	0.652	0.388	0.078	0.605
Compound_801	CN1CC=CC[C@H]1c1cccnc1	0.115	0.507	0.045	0.202	0.025	0.513	0.0	0.058	0.474	0.003	0.064
Compound_802	CC1CCC2C(C(=C)CC(=O)C1)CC2(C)C	0.982	0.357	0.242	0.465	0.452	0.622	0.498	0.985	0.375	1.0	0.904
Compound_803	OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@@H]3[C@H]2C(=C[C@H]3O)COC(=O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O	0.698	0.461	0.511	0.565	0.881	0.893	0.882	0.45	0.848	0.853	0.355
Compound_804	COc1c(oc2c1cc1ccc(=O)oc1c2)C(C)C	0.131	0.619	0.851	0.57	0.077	0.489	0.08	0.263	0.582	0.079	0.939
Compound_805	COc1cc2OCOc2c2c1c1ccc3c(c1[n+](c2)C)cc1c(c3)OCO1	0.394	0.778	0.977	0.679	0.905	0.755	0.966	0.82	0.511	0.448	0.967
Compound_806	O=C[C@]12C[C@H]3O[C@@]4(O)[C@@H](O)C[C@H](O[C@H]4O[C@@H]3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2([C@]1(O)CC[C@@H]2C1=CC(=O)OC1)C)C	0.922	0.94	0.009	0.764	0.941	0.944	0.783	0.987	0.796	0.082	0.851
Compound_807	CO[C@H]1O[C@@H]2c3cc4OCOc4cc3CCN([C@@H]2c2c1c1OCOc1cc2)C	0.634	0.777	0.708	0.184	0.576	0.532	0.005	0.015	0.077	0.053	0.667
Compound_808	C1Oc2c(O1)cc1c(c2)CC[n+]2c1cc1ccc3c(c1c2)OCO3	0.059	0.669	0.98	0.723	0.316	0.847	0.042	0.995	0.136	0.893	0.895
Compound_809	OCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1	0.75	0.641	0.575	0.705	0.925	0.997	0.983	0.966	0.797	0.053	0.666
Compound_810	COc1cc2c(cc1OC)C[C@H]1c3c2c2OCOc2cc3CCN1C	0.208	0.765	0.7	0.287	0.112	0.625	0.07	0.441	0.337	0.284	0.842
Compound_811	COc1cc(cc(c1OC)OC)[C@H]1[C@H]2C(=O)OC[C@@H]2Cc2c1cc1OCOc1c2O	0.82	0.834	0.727	0.637	0.967	0.772	0.961	0.084	0.932	0.188	0.94
Compound_812	CC(=CCN=C(N)N)C	0.192	0.185	0.792	0.586	0.024	0.002	0.002	0.781	0.683	0.132	0.208
Compound_813	CC=C(C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)C(C(O)C)(C(C)C)O)C	0.487	0.699	0.054	0.209	0.131	0.239	0.019	0.316	0.361	0.407	0.598
Compound_814	O=c1nc(Cc2ccccc2)n(c2c1cccc2)C	0.244	0.592	0.738	0.471	0.134	0.628	0.294	0.154	0.803	0.004	0.153
Compound_815	COc1c2C[C@@H](Oc2[n+](c2c1cc(O)cc2)C)C(O)(C)C	0.52	0.685	0.902	0.566	0.76	0.788	0.299	0.573	0.453	0.73	0.922
Compound_816	CC=C(C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@@H](O)C)(C(C)C)O)C	0.487	0.699	0.054	0.209	0.131	0.239	0.019	0.316	0.361	0.407	0.598
Compound_817	CN1C2CCC1CC(C2)OC(=O)Cc1ccccc1	0.077	0.45	0.01	0.1	0.013	0.039	0.011	0.228	0.197	0.131	0.044
Compound_818	COC(=O)C1CC23C=CCN4C3C3(C1(CC2)Nc1c3cccc1)CC4	0.61	0.567	0.086	0.282	0.445	0.455	0.96	0.611	0.341	0.007	0.227
Compound_819	CO[C@H]1C=CC2=CCN3[C@]2(C1)C1=CC(=O)OC[C@H]1CC3	0.792	0.767	0.066	0.338	0.351	0.845	0.011	0.876	0.872	0.06	0.137
Compound_820	C[C@@H]([C@H]1CC[C@@]2([C@]1(C)CC(=O)[C@@]1([C@H]2CC=C2[C@H]1CC[C@@H](C2(C)C)O)C)C)CCC(C(O)(C)C)O	0.957	1.0	0.024	0.642	0.867	0.937	0.042	0.963	0.14	0.92	0.065
Compound_821	COc1cc2CCN([C@H]3[C@H](c2cc1OC)O[C@H](OC)c1c3ccc(c1OC)OC)C	0.529	0.758	0.202	0.196	0.398	0.484	0.004	0.005	0.211	0.009	0.203
Compound_822	C=C[C@H]1[C@@H](OC=C2[C@H]1CCNC2=O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.392	0.639	0.006	0.343	0.159	0.558	0.032	0.529	0.463	0.136	0.055
Compound_823	CN[C@H]1CC[C@]23[C@H](C1(C)C)CC[C@@H]1[C@@]3(C2)CC[C@]2([C@@]1(C)C[C@H]([C@@H]2[C@@H](N(C)C)C)O)C	0.106	0.815	0.005	0.188	0.622	0.702	0.012	0.209	0.189	0.035	0.51
Compound_824	OC[C@H]1O[C@@H](SC(=NOS(=O)(=O)O)CC)[C@@H]([C@H]([C@@H]1O)O)O	0.498	0.453	0.002	0.24	0.479	0.466	0.174	0.061	0.377	0.269	0.409
Compound_825	C=C1CC[C@H]2C[C@@H]1C2(C)C	0.99	0.394	0.564	0.509	0.71	0.559	0.854	0.965	0.669	0.997	0.867
Compound_826	CC(=CCc1c(O)cc2c(c1O)C(=O)C[C@H](O2)c1ccc(cc1)O)CCC=C(C)C	0.651	0.756	0.555	0.543	0.962	0.978	0.905	0.913	0.436	0.965	0.726
Compound_827	CC=C(C(=O)O[C@@H]1C[C@@]2(C)O[C@@H]2C[C@@H](C(=C[C@@H]2[C@@H]1C(=C)C(=O)O2)C)O)C	0.927	0.764	0.002	0.613	0.854	0.562	0.987	0.997	0.666	0.996	0.98
Compound_828	CC1=CC[C@H]2[C@H]([C@@H]1C2(C)C)O	0.945	0.445	0.072	0.518	0.576	0.591	0.078	0.946	0.426	0.966	0.892
Compound_829	COC1=CC(=O)c2c(C1=O)cccc2	0.577	0.592	0.952	0.633	0.011	0.509	0.908	0.782	0.621	0.269	0.931
Compound_830	OC[C@H]1O[C@@H](OC([C@H]2Oc3c([C@H]2O)c2oc(=O)ccc2cc3)(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.713	0.476	0.332	0.381	0.87	0.79	0.889	0.14	0.673	0.201	0.776
Compound_831	CO[C@@H]1C=C[C@@]23[C@H](C1)N(C)C[C@@]3(O)OCc1c2cc2OCOc2c1	0.794	0.659	0.598	0.266	0.296	0.317	0.008	0.415	0.192	0.283	0.614
Compound_832	COc1c(OC)c2occc2c2c1ccc(=O)o2	0.129	0.652	0.969	0.605	0.115	0.555	0.034	0.524	0.643	0.035	0.926
Compound_833	C[C@@H]1C(=O)O[C@H]2[C@H]1CCC(=C1[C@@H]2C(=CC1=O)C)C	0.867	0.558	0.404	0.553	0.684	0.073	0.704	0.804	0.439	0.989	0.482
Compound_834	COc1c2cccc(c2nc2c1cco2)O	0.372	0.699	0.898	0.639	0.534	0.647	0.6	0.818	0.721	0.711	0.792
Compound_835	Oc1cc(O)c2c(c1O)oc(cc2=O)c1ccccc1	0.906	0.89	0.969	0.824	0.862	0.499	0.967	0.997	0.856	0.011	0.645
Compound_836	CN1CCC2=C[C@@H]([C@@H]3[C@H]([C@H]12)c1cc2OCOc2cc1C(=O)O3)O	0.791	0.581	0.938	0.192	0.202	0.508	0.299	0.231	0.208	0.295	0.234
Compound_837	COc1cc2ccc(=O)oc2c2c1occ2	0.125	0.616	0.952	0.61	0.121	0.54	0.034	0.573	0.599	0.094	0.912
Compound_838	COc1cccc2c1nc1occc1c2OC	0.312	0.746	0.97	0.637	0.459	0.632	0.525	0.665	0.793	0.602	0.86
Compound_839	CC(=CCc1c2ccc(=O)oc2c(c2c1cco2)O)C	0.246	0.631	0.723	0.628	0.262	0.474	0.34	0.99	0.405	0.48	0.853
Compound_840	OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)cc4c3C(=O)c3c(C4=O)cc(cc3O)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O	0.568	0.382	0.538	0.615	0.935	0.962	0.97	0.187	0.75	0.361	0.747
Compound_841	CC1=CC(=O)C2=C(C)C[C@@H]([C@@H]3[C@@H]([C@@H]12)OC(=O)C3=C)O	0.9	0.51	0.045	0.691	0.719	0.245	0.842	0.994	0.676	0.798	0.209
Compound_842	O=C[C@]12CC[C@@H](C[C@@H]1CCC1C2CC[C@]2([C@]1(O)CC[C@@H]2C1=CC(=O)OC1)C)O	0.956	0.95	0.014	0.776	0.968	0.964	0.549	0.983	0.605	0.75	0.85
Compound_843	CC1=CC[C@H]2C[C@@H]1C2(C)C	0.985	0.348	0.432	0.436	0.648	0.579	0.438	0.929	0.692	0.998	0.849
Compound_844	CCOC(=O)c1cccc(c1)N1C(=O)C(=C(C1=O)Cl)Nc1ccc(cc1)C(=O)N(C1CCCCC1)C	0.279	0.651	0.622	0.509	0.88	0.687	0.566	0.623	0.418	0.917	0.643
Compound_845	CC1=CCC[C@@]2(C)O[C@H]2[C@@H]2[C@@H](CC1)C(=C)C(=O)O2	0.98	0.888	0.3	0.615	0.845	0.518	0.955	0.987	0.739	0.992	0.918
Compound_846	CC[C@H]1N[C@@H]2[C@@H]3[C@H]1C[C@H]([C@]1(C2)c2ccc(cc2N(C1=O)OC)OC)OC3	0.643	0.837	0.138	0.416	0.805	0.586	0.065	0.21	0.372	0.79	0.834
Compound_847	O=C1C[C@]2(C(C1=C)C2)C(C)C	0.98	0.546	0.256	0.501	0.453	0.078	0.108	0.967	0.397	0.991	0.911
Compound_848	O=C1OC2C(C1=C)CCC(C1(C2(C)C(=O)CC1)O)C	0.927	0.868	0.226	0.579	0.727	0.435	0.681	0.908	0.278	0.869	0.865
Compound_849	CC1=CC[C@H](CC1)[C@]1(C)CC[C@@H](C(O1)(C)C)O	0.939	0.733	0.053	0.481	0.419	0.192	0.302	0.554	0.497	0.916	0.818
Compound_850	COc1cc(OC)c2c(c1)c1c3OCOc3cc(c1c(c2)N(=O)=O)C(=O)O	0.531	0.879	0.57	0.486	0.926	0.894	0.997	0.903	0.429	0.952	0.908
Compound_851	CC(CC(=O)O[C@@H]1c2c(O[C@@H]1C(OC(=O)CC(C)C)(C)C)ccc1c2oc(=O)cc1)C	0.673	0.654	0.974	0.59	0.863	0.458	0.985	0.978	0.595	0.656	0.775
Compound_852	COc1cc(CNC(=O)CCCCCCCC(C)C)ccc1O	0.053	0.488	0.335	0.527	0.024	0.248	0.005	0.178	0.204	0.001	0.018
Compound_853	COc1c2ccoc2c(c2c1ccc(=O)o2)OCC=C(C)C	0.181	0.717	0.939	0.585	0.168	0.593	0.286	0.867	0.5	0.248	0.992
Compound_854	OC[C@H]1O[C@@H](O[C@H]2C[C@H](C)OC(=O)C2)[C@@H]([C@H]([C@@H]1O)O)O	0.157	0.435	0.022	0.412	0.21	0.246	0.038	0.061	0.29	0.417	0.05
Compound_855	COc1cc(O)c2c(c1O)oc(cc2=O)c1ccccc1	0.891	0.904	0.927	0.802	0.855	0.206	0.993	0.992	0.718	0.008	0.838
Compound_856	CO[C@H]1C=CC2=CCN3[C@]2(C1)C1=C(CC3)COC(=O)C1	0.773	0.767	0.072	0.335	0.091	0.656	0.015	0.874	0.317	0.06	0.137
Compound_857	O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2O)O)C(=O)O	0.724	0.713	0.652	0.442	0.291	0.719	0.982	0.878	0.603	0.391	0.651
Compound_858	COc1c2ccc(=O)oc2c(c2c1cco2)OC	0.072	0.669	0.905	0.614	0.115	0.555	0.034	0.054	0.564	0.065	0.944
Compound_859	Cc1cc(O)c2c(c1)c1c3c4cc(C)cc(c4C(=O)c4c3c(c3c1c(C2=O)c(O)cc3O)c(cc4O)O)O	0.931	0.85	0.936	0.593	0.987	0.99	0.632	0.959	0.667	0.178	0.933
Compound_860	C=CC1=C[C@H](C)[C@](C)(OC(=O)C)C(=O)OCC2=CC[N+]3(C2([C@H](OC1=O)CC3)[O-])C	0.703	0.809	0.021	0.753	0.087	0.3	0.181	0.997	0.33	0.675	0.436
Compound_861	COc1cc(cc(c1O)OC)[C@H]1[C@H]2C(=O)OC[C@@H]2Cc2c1cc1OCOc1c2O	0.845	0.878	0.727	0.637	0.967	0.772	0.961	0.072	0.929	0.204	0.892
Compound_862	COc1ccc2c(c1O)C(=O)c1c(C2=O)cccc1	0.853	0.794	0.915	0.776	0.746	0.663	0.968	0.307	0.621	0.111	0.936
Compound_863	OCC1=C[C@H]([C@H]2[C@@H]1[C@H](O)OC=C2)O	0.674	0.346	0.066	0.545	0.461	0.388	0.816	0.751	0.358	0.569	0.388
Compound_864	OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)occ(c3=O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O	0.732	0.563	0.36	0.697	0.936	0.886	0.905	0.634	0.64	0.064	0.624
Compound_865	COc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)O)OC)NC(=O)C	0.933	0.836	0.203	0.646	0.181	0.17	0.101	0.974	0.859	0.023	0.073
Compound_866	OC[C@]12O[C@H]1[C@H]1[C@H]3O[C@]4(O[C@]1([C@H]1[C@@]([C@@H]2O)(O)C(=O)C(=C1)C)[C@@H]([C@H]([C@@]3(O4)C(=C)C)OC(=O)C=CC=Cc1ccccc1)C)c1ccccc1	0.727	0.648	0.076	0.659	0.871	0.833	0.959	0.898	0.511	0.405	0.522
Compound_867	O=C1O[C@@H]2C[C@@H]3C1(C)C[C@]14[C@@H]2CCCN4CC=C[C@]31O	0.49	0.647	0.024	0.347	0.525	0.537	0.006	0.815	0.332	0.116	0.074
Compound_868	CN1CCCC[C@H]1C[C@@H](c1ccccc1)O	0.044	0.24	0.014	0.012	0.006	0.051	-0.0	0.003	0.083	0.006	0.024
Compound_869	Cn1c2ccccc2c(=O)c2c1occ2	0.522	0.744	0.805	0.486	0.409	0.587	0.115	0.627	0.86	0.233	0.37
Compound_870	CCN1CC2(CCC(C34C1C(O)(C(C23)OC)C1(C2C4CC(C2OC)C(C1)OC)O)OC)COC(=O)c1ccccc1N1C(=O)CC(C1=O)C	0.605	0.779	0.004	0.307	0.687	0.645	0.433	0.254	0.352	0.832	0.88
Compound_871	OC[C@H]1O[C@@H](Oc2cc(C)cc3c2C(=O)c2c(C3=O)cc(cc2O)OC)[C@@H]([C@H]([C@@H]1O)O)O	0.563	0.543	0.481	0.672	0.913	0.951	0.97	0.816	0.742	0.016	0.714
Compound_872	C[C@@H]1C[C@@H]2CC3=C([C@]4(C1)[C@@H]2CCCN4C)CCC(=O)N3	0.395	0.645	0.042	0.242	0.023	0.167	0.041	0.047	0.379	0.014	0.343
Compound_873	COc1cc(cc(c1OC)OC)[C@H]1[C@H]2C(=O)OC[C@@H]2[C@H](c2c1cc1OCOc1c2)O	0.952	0.874	0.883	0.489	0.925	0.858	0.828	0.106	0.95	0.199	0.953
Compound_874	C=CC(=CCC=C(C)C)C	0.915	0.064	0.505	0.615	0.195	0.018	0.943	0.995	0.871	0.997	0.955
Compound_875	CS(=O)SCC=C	0.807	0.083	0.564	0.682	0.202	0.032	0.998	0.998	0.25	1.0	0.603
Compound_876	OC[C@H]1O[C@@H](OC2=C[C@@H]3C(=CC[C@@H]4[C@@]3(C)C(=O)C[C@]3([C@@]4(C)C[C@H]([C@@H]3[C@](C(=O)CCC(O)(C)C)(O)C)O)C)C(C2=O)(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.653	1.0	0.006	0.618	0.799	0.86	0.7	0.16	0.394	0.148	0.145
Compound_877	CCCCCCC[C@@H](C=CC#CC#C[C@@H](C=C)O)O	0.961	0.138	0.399	0.601	0.595	0.916	0.984	0.992	0.578	0.963	0.569
Compound_878	CCCCCCC=CCCCCCCCc1cccc(c1)O	0.971	0.208	0.665	0.644	0.599	0.311	0.985	0.979	0.633	0.966	0.696
Compound_879	CCCCCCCCCCCCCCCCCCC1=C(O)C(=O)C=C(C1=O)OC	0.898	0.507	0.345	0.494	0.063	0.566	0.999	0.981	0.609	0.478	0.792
Compound_880	OC[C@H]1O[C@@H](O[C@@H]2CC(=C(C(C2)(C)C)C=O)C)[C@@H]([C@H]([C@@H]1O)O)O	0.472	0.75	0.024	0.449	0.333	0.768	0.227	0.255	0.682	0.782	0.173
Compound_881	COc1cc2CCN([C@H]3[C@H](c2cc1OC)O[C@@H](O)c1c3ccc(c1OC)OC)C	0.528	0.761	0.21	0.094	0.399	0.435	0.001	0.018	0.157	0.015	0.175
Compound_882	C[C@@H]1N(C)C(=O)O[C@H]1c1ccccc1	0.114	0.309	0.601	0.55	0.006	0.083	0.198	0.868	0.147	0.032	0.054
Compound_883	COc1cc(O)cc2c1cc(N(=O)=O)c1c2c2OCOc2cc1C(=O)O	0.59	0.834	0.578	0.546	0.942	0.898	0.997	0.893	0.427	0.975	0.922
Compound_884	CC(=O)OC[C@H]1CC[C@@H]2[C@H]([C@]3([C@@]1(O)CCC3=O)C)OC(=O)C2=C	0.919	0.845	0.013	0.596	0.822	0.448	0.948	0.817	0.314	0.712	0.933
Compound_885	COc1cc2CCN[C@@H]3c2c(c1O)c1c(C3)ccc(c1OC)OC	0.214	0.605	0.157	0.494	0.192	0.228	0.165	0.498	0.274	0.02	0.5
Compound_886	C[C@@H]1C[C@H]2OC(=O)[C@H]([C@H]2[C@@H]([C@]2([C@H]1C=CC2=O)C)OC(=O)C(=C)C)C	0.949	0.509	0.085	0.61	0.735	0.263	0.981	0.995	0.426	0.964	0.921
Compound_887	O=c1ccc2c3n1c1ccccc1c3ccn2	0.646	0.723	0.612	0.471	0.216	0.754	0.106	0.105	0.578	0.88	0.767
Compound_888	COc1ccc2c(c1O)c1c(O)c(OC)cc3c1[C@H](C2)N(C)CC3	0.209	0.724	0.379	0.327	0.248	0.299	0.011	0.775	0.174	0.122	0.287
Compound_889	COc1ccc2c(c1)nc1c(c2OC)cco1	0.338	0.736	0.967	0.727	0.679	0.646	0.309	0.629	0.882	0.568	0.882
Compound_890	CC(=C)c1cc2c(o1)cc(c(c2)C(=O)C)O	0.21	0.552	0.994	0.552	0.033	0.499	0.124	0.957	0.466	0.971	0.861
Compound_891	O=Cc1ccc2c1cocc2COC(=O)CC(C)C	0.317	0.314	0.899	0.703	0.095	0.168	0.746	0.961	0.401	0.057	0.748
Compound_892	O=C1C=C(C)C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@H](O1)CC3	0.604	0.87	0.264	0.221	0.09	0.233	0.048	0.652	0.279	0.232	0.348
Compound_893	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@H]3[C@H]2[C@H](C)[C@H](C3)O)C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O	0.661	0.454	0.032	0.319	0.827	0.597	0.722	0.379	0.403	0.301	0.114
Compound_894	CC=C1CC(=C)[C@](O)(CO)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3	0.484	0.779	0.08	0.186	0.287	0.219	0.013	0.566	0.262	0.032	0.384
Compound_895	O=C(CC(c1ccccc1)N(C)C)OC1CCC2(C(C1=C)C(O)C1(O)CC(=O)C(=C(C(C2O)OC(=O)C)C1(C)C)C)C	0.774	0.776	0.002	0.297	0.712	0.943	0.019	0.933	0.369	0.046	0.172
Compound_896	O=C1OCC(=C1)[C@H]1CC[C@]2([C@]1(C)[C@H](O)C[C@H]1[C@@]32O[C@H]3C[C@@H]2[C@]1(C)CC[C@@H](C2)O[C@@H]1O[C@H](C)[C@H]([C@H]([C@H]1O)O)O)O	0.944	1.0	0.003	0.702	0.991	0.899	0.926	0.812	0.971	0.714	0.833
Compound_897	CC(=O)C[C@H](C1=CC[C@H]2[C@@H](C[C@@H]1C)OC(=O)C2=C)OC(=O)C	0.898	0.494	0.724	0.654	0.835	0.108	0.999	0.995	0.549	0.999	0.927
Compound_898	C[C@@H]1C[C@H]2CC(=O)[C@@H]3[C@]42[C@](C1)(O)N(CCC3)CCC4	0.513	0.66	0.061	0.189	0.349	0.557	0.001	0.676	0.169	0.028	0.077
Compound_899	C[C@@H]1CN[C@@H]2[C@@H](C1)O[C@@]1([C@@H]2C)CC[C@@H]2C(=C1C)C(=O)[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C	0.547	0.85	0.013	0.587	0.69	0.837	0.378	0.127	0.152	0.292	0.277
Compound_900	O=C1O[C@@H]2[C@H](C1=C)CC[C@@H]([C@]1([C@@]2(C)C(=O)C=C1)O)C	0.947	0.606	0.564	0.659	0.77	0.307	0.857	0.996	0.36	0.399	0.779
Compound_901	COc1cc2CCN([C@H]3c2cc1Oc1c2c(CCN([C@H]2Cc2ccc(Oc4cc(C3)ccc4OC)cc2)C)cc(c1OC)OC)C	0.288	0.756	0.219	0.183	0.621	0.887	0.62	0.015	0.129	0.109	0.418
Compound_902	O=c1ccc2c(o1)cc1c(c2OCC2=C(C)CC(CC2)(C)C)cco1	0.382	0.789	0.805	0.568	0.308	0.914	0.817	0.514	0.669	0.975	0.98
Compound_903	Oc1cc2CC[n+]3c2c(c1)c1cc2OCOc2cc1c3	0.234	0.65	0.994	0.668	0.603	0.813	0.257	0.919	0.582	0.418	0.762
Compound_904	Oc1cc(O)c2c(c1)O[C@@H]([C@H]([C@@H]2c1c(O)cc(c2c1O[C@@H]([C@@H](C2)O)c1ccc(c(c1)O)O)O)O)c1ccc(c(c1)O)O	0.241	0.675	0.174	0.622	0.994	0.699	0.237	0.604	0.291	0.087	0.195
Compound_905	OC[C@H]1O[C@@H](Oc2cc3oc(=O)ccc3cc2O)[C@@H]([C@H]([C@@H]1O)O)O	0.617	0.22	0.144	0.316	0.905	0.098	0.187	0.311	0.563	0.153	0.918
Compound_906	CN1CC[C@@]2([C@H]1Nc1c2cccc1)[C@@]12CCN([C@@H]1Nc1c2cccc1)C	0.261	0.634	0.131	0.134	0.74	0.677	0.858	0.085	0.378	0.018	0.331
Compound_907	O=Cc1ccc2c1cocc2C	0.393	0.424	0.804	0.764	0.041	0.345	0.884	0.281	0.915	0.872	0.775
Compound_908	C=C1C(=O)O[C@H]2[C@@H]1[C@H](O)[C@]1(C)C(=O)C=C[C@H]1[C@@H](C2)C	0.939	0.517	0.038	0.683	0.714	0.328	0.749	0.993	0.352	0.628	0.717
Compound_909	CCCCCCCCCCCCCc1cccc(c1)O	0.947	0.125	0.494	0.588	0.599	0.311	0.985	0.932	0.609	0.948	0.6
Compound_910	C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@@H]([C@]2(C)O)[C@@H](O)[C@@H]([C@@]2([C@H]1C[C@]13[C@H]2[C@H](O)[C@@H]([C@H]2[C@]3(C)CC[C@@H]([C@@]2(O1)O)O)O)O)O	0.418	0.724	0.006	0.2	0.862	0.694	0.017	0.028	0.394	0.65	0.359
Compound_911	O[C@@H]1[C@@H](O)[C@@]2(O)[C@H]([C@]([C@]3(C41C[C@@]([C@H]([C@@H]4O)CC3)(C)O)O)(C)O)[C@H]1[C@@H](C2(C)C)O1	0.841	0.904	0.008	0.44	0.824	0.684	0.565	0.181	0.52	0.897	0.409
Compound_912	COc1ccc2c(c1)NC1=C(CC3(C4C21CCN4CC1C3O1)CC)C(=O)OC	0.75	0.719	0.103	0.248	0.908	0.573	0.944	0.494	0.373	0.953	0.843
Compound_913	COC1C(O)C2=CCN3C2C(C1O)c1cc(OC)c(cc1C3)OC	0.705	0.721	0.12	0.176	0.147	0.218	0.002	0.39	0.334	0.241	0.196
Compound_914	C=C1C(=O)OC2C1C(O)C1(C)C(=O)CCC1C(C2)C	0.912	0.861	0.013	0.623	0.67	0.462	0.501	0.915	0.269	0.916	0.915
Compound_915	COC1=C(O)C(=O)N(C(=O)C1)C	0.138	0.41	0.043	0.435	0.066	0.227	0.163	0.307	0.52	0.028	0.075
Compound_916	OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@@H]3[C@H](C)[C@@](O4)(O)CC[C@@H](CO[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O	0.8	0.98	0.001	0.636	0.985	0.863	0.163	0.375	0.856	0.891	0.054
Compound_917	OC[C@H]1CC[C@@H]2[C@H]([C@]3([C@@]1(O)CC[C@@H]3OC(=O)C)C)OC(=O)C2=C	0.929	0.855	0.004	0.571	0.825	0.717	0.939	0.848	0.459	0.383	0.906
Compound_918	O[C@@H]1Cc2cc3OCOc3cc2c2c1c1ccc3c(c1cn2)OCO3	0.255	0.608	0.997	0.544	0.741	0.671	0.142	0.852	0.055	0.925	0.871
Compound_919	C[C@@H]1CC[C@H](N2[C@H]1CC[C@]1(C2)CS[C@]2(C1)CC[C@@H]1N(C2)[C@@H](CC[C@H]1C)c1cocc1)c1cocc1	0.385	0.543	0.001	0.252	0.603	0.657	0.186	0.057	0.532	0.027	0.52
Compound_920	C[C@@H]([C@H]1CC[C@@]2([C@]1(C)CC=C1[C@H]2CC[C@@H]2C(=C1)CC[C@@H](C2(C)C)N(C)C)C)N	0.557	0.631	0.166	0.303	0.235	0.812	0.056	0.387	0.394	0.015	0.186
Compound_921	C=CC(=C)CCCC(=C)C	0.968	0.106	0.811	0.597	0.276	0.021	0.988	0.986	0.859	0.996	0.941
Compound_922	CC(=O)CC1CCCN1	0.074	0.213	0.016	0.196	0.004	0.021	0.003	0.004	0.386	0.029	0.115
Compound_923	CCCCCCC=CCCCCCCCc1cccc(c1C(=O)O)O	0.797	0.367	0.083	0.349	0.516	0.204	0.725	0.586	0.704	0.981	0.371
Compound_924	O=C1OC2C(C1=C)CC1C(C2)(C)CCCC1=C	0.955	0.906	0.315	0.577	0.806	0.493	0.239	0.857	0.741	1.0	0.865
Compound_925	Oc1c(O)nc(=N)[nH]c1N	0.24	0.32	0.411	0.47	0.268	0.223	0.007	0.154	0.546	0.003	0.285
Compound_926	CN[C@@H]1Cc2c[nH]c3c2c([C@H]1C=C(CO)C)ccc3	0.427	0.604	0.823	0.294	0.3	0.67	0.093	0.346	0.167	0.037	0.574
Compound_927	C[C@H](C[C@H]1CCC[C@H](N1)C)O	0.049	0.244	0.015	0.288	0.008	0.026	0.0	0.135	0.124	0.051	0.031
Compound_928	OC[C@H]1O[C@@H](Oc2cccc3c2C(=O)c2c(C3=O)cc(cc2O)C)[C@@H]([C@H]([C@@H]1O)O)O	0.532	0.414	0.558	0.644	0.769	0.828	0.848	0.861	0.784	0.032	0.643
Compound_929	O=Cc1ccc2c1cocc2COC(=O)C	0.295	0.348	0.759	0.718	0.074	0.145	0.595	0.855	0.888	0.05	0.887
Compound_930	Oc1cc(O)c2c(c1)O[C@@H]([C@H]([C@@H]2c1c(O)cc(c2c1O[C@@H]([C@H](C2)O)c1ccc(c(c1)O)O)O)O)c1ccc(c(c1)O)O	0.241	0.675	0.174	0.622	0.994	0.699	0.237	0.604	0.291	0.087	0.195
Compound_931	CCCCCc1cc2OC(C)(C)c3c(c2c(c1C(=O)O)O)cc(cc3)C	0.791	0.679	0.545	0.493	0.971	0.989	0.899	0.763	0.552	0.984	0.483
Compound_932	OC[C@H]1CCN2[C@@H]1CCC2	0.364	0.282	0.109	0.109	0.036	0.356	0.003	0.021	0.133	0.327	0.376
Compound_933	O=N(=O)c1cc2c(O)cccc2c2c1c(cc1c2OCO1)C(=O)O	0.578	0.767	0.414	0.444	0.949	0.916	0.995	0.947	0.42	0.981	0.932
Compound_934	COc1cc(ccc1O)c1oc2cc(O)cc(c2c(=O)c1OC)O	0.792	0.938	0.946	0.84	0.755	0.314	0.949	0.979	0.503	0.006	0.771
Compound_935	CC(=CC(=O)O[C@@H]1CC(C)(C)C[C@@H]2[C@]1(CC[C@@]1(C2=CC[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)CCC(=O)C1(C)C)C)C(=O)O)C	0.883	0.88	0.083	0.424	0.981	0.902	0.477	0.984	0.374	0.888	0.142
Compound_936	O=C1CCC[C@@H]2N1C[C@H]1C[C@H]2C(=O)N2[C@H]1CCCC2	0.804	0.47	0.116	0.415	0.232	0.64	0.001	0.149	0.357	0.761	0.35
Compound_937	O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@]([C@@H](O)C)(C(C)C)O	0.433	0.679	0.071	0.297	0.067	0.129	0.001	0.189	0.215	0.101	0.321
Compound_938	CC(=CCOc1c2ccoc2cc2c1ccc(=O)o2)C	0.203	0.737	0.944	0.579	0.165	0.728	0.205	0.898	0.644	0.545	0.982
Compound_939	COc1cc2c(cc1OC)nc1c(c2OC)cco1	0.334	0.777	0.957	0.603	0.587	0.653	0.246	0.631	0.921	0.661	0.911
Compound_940	CN1CCc2cc3OCOc3cc2C(=O)[C@@H](c2c(C1)c1OCOc1cc2)C	0.259	0.716	0.667	0.238	0.614	0.685	0.251	0.038	0.16	0.486	0.805
Compound_941	O=C(C(C)C)O[C@@H]1[C@@H]2[C@@H](OOC2=C)C[C@@H]([C@@H]2[C@]1(C)OC=C2)C	0.829	0.565	0.016	0.545	0.649	0.1	0.999	0.986	0.239	0.978	0.687
Compound_942	COc1cc2c(c(c1OC)O)c(=O)c1c(n2C)cccc1	0.805	0.787	0.765	0.54	0.814	0.581	0.665	0.296	0.645	0.048	0.401
Compound_943	CN1CC[C@H]2OC(=O)C3(O[C@@H]3C)C[C@H]([C@@](C(=O)OCC(=CC1)C2=O)(C)O)C	0.562	0.769	0.054	0.254	0.587	0.246	0.089	0.644	0.338	0.054	0.251
Compound_944	OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2(=O)C	0.053	0.594	0.018	0.311	0.033	0.088	0.001	0.006	0.085	0.004	0.087
Compound_945	COC(=O)CCC(=O)Nc1ccccc1C(=O)OC[C@]12CC[C@@H]([C@@]34[C@@H]2[C@H](OC)[C@](C3N(C1)CC)(O)[C@@]1([C@@H]2[C@H]4C[C@@H]([C@@H]2OC)[C@H](C1)OC)OC)OC	0.438	0.789	0.006	0.316	0.644	0.638	0.239	0.046	0.398	0.666	0.639
Compound_946	OCCCC1C(=C(C=O)C)CCC(C1(C)CCC=C(CCC1C(=CCC(C1(C)C)C)C)C)(C)O	0.98	0.789	0.056	0.529	0.58	0.833	0.601	0.125	0.264	0.709	0.429
Compound_947	C[C@H]1CC[C@@H]2[N@](=O)(C1)[C@@H](CC[C@H]2C)c1ccoc1	0.441	0.617	0.187	0.449	0.024	0.617	0.003	0.026	0.675	0.035	0.377
Compound_948	C[C@H]1CC[C@@H]2[C@H]([C@]3([C@H]1C=CC3=O)C)OC(=O)C2=C	0.932	0.565	0.397	0.644	0.724	0.216	0.723	0.997	0.365	0.905	0.901
Compound_949	O[C@@H]1C[C@@]23C[C@@]([C@@H]([C@H]2O)CC[C@H]3[C@@]([C@H]2[C@@]1(O)C(C)(C)[C@H](C2)O)(C)O)(C)O	0.853	0.725	0.04	0.569	0.751	0.67	0.52	0.07	0.317	0.858	0.363
Compound_950	C=C1CCC[C@]2([C@H]1C[C@@H](CC2)C(O)(C)C)C	0.938	0.465	0.441	0.567	0.623	0.068	0.237	0.955	0.453	0.983	0.901
Compound_951	C=CC#Cc1ccc(s1)c1cccs1	0.558	0.822	0.919	0.67	0.405	0.905	0.998	0.953	0.74	0.988	0.827
Compound_952	C=C[C@H]1[C@@H](OC=C2[C@H]1CCOC2=O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.659	0.528	0.012	0.557	0.791	0.769	0.85	0.76	0.678	0.67	0.055
Compound_953	CCCC(=O)c1c(O)cc(c(c1O)Cc1c(O)c(C(=O)CCC)c(c(c1OC)C)O)OC	0.753	0.737	0.704	0.59	0.898	0.97	0.985	0.201	0.608	0.156	0.753
Compound_954	C=C[C@@]1(C)CC[C@H](O1)[C@@H](C(=O)CC=C(C)C)C	0.98	0.358	0.03	0.668	0.53	0.145	0.937	0.991	0.238	0.996	0.973
Compound_955	OC[C@H]1O[C@@H](O[C@H](c2ccc(cc2)O)C#N)[C@@H]([C@H]([C@@H]1O)O)O	0.339	0.418	0.093	0.561	0.671	0.637	0.273	0.07	0.381	0.203	0.3
Compound_956	COc1cc(cc(c1OC)OC)[C@H]1[C@H]2C(=O)OC[C@@H]2Cc2c1cc1OCOc1c2OC	0.805	0.821	0.977	0.568	0.909	0.854	0.987	0.176	0.942	0.519	0.987
Compound_957	COc1c(OC)cc2c3c1c1cc4OCOc4cc1C[C@@H]3N(CC2)C	0.21	0.765	0.7	0.287	0.112	0.625	0.07	0.441	0.169	0.284	0.842
Compound_958	COc1cc2CCN([C@]3(c2cc1O)Cc1c(C3=O)c2OCOc2cc1)C	0.448	0.802	0.321	0.164	0.39	0.647	0.272	0.096	0.227	0.017	0.873
Compound_959	O[C@H]1C=C2[C@H]([C@@H]([C@@H]1O)O)NC(=O)c1c2cc2OCOc2c1O	0.68	0.759	0.363	0.533	0.093	0.525	0.109	0.758	0.416	0.547	0.331
Compound_960	C[S@](=O)C[C@@H](C(=O)O)N	0.022	0.064	0.012	0.119	0.054	0.004	0.001	0.005	0.082	0.006	0.183
Compound_961	O=c1nc(Cc2ccccc2)[nH]c2c1cccc2	0.239	0.672	1.0	0.496	0.256	0.684	0.857	0.728	0.673	0.051	0.349
Compound_962	CCCCCCCCCCCCCCCc1cccc(c1O)O	0.891	0.295	0.433	0.569	0.663	0.116	0.938	0.956	0.915	0.988	0.556
Compound_963	OCc1cc(O)c2c(c1)c1c3c4cc(C)cc(c4C(=O)c4c3c(c3c1c(C2=O)c(O)cc3O)c(cc4O)O)O	0.792	0.649	0.954	0.535	0.983	0.99	0.594	0.292	0.637	0.113	0.825
Compound_964	COc1c(OC)ccc2c1c(=O)n1c(c2)c2cc3OCOc3cc2CC1	0.8	0.795	0.994	0.636	0.162	0.685	0.266	0.984	0.397	0.014	0.42
Compound_965	CC([C@@](C(=O)OCC1=CCN2[C@H]1CCC2)([C@H](O)C)O)C	0.427	0.53	0.059	0.298	0.067	0.184	0.001	0.21	0.287	0.289	0.53
Compound_966	OC[C@]12CC[C@@H](C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2([C@]1(O)CC[C@@H]2C1=CC(=O)OC1)C)OC1O[C@H](C)[C@H]([C@H]([C@H]1O)O)O	0.952	0.98	0.001	0.75	0.969	0.923	0.92	0.468	0.959	0.554	0.087
Compound_967	C=C[C@H]1[C@@H](OC=C2[C@H]1C[C@@H]1SCCN1C2=O)OC1OC(CO)C(C(C1O)O)O	0.512	0.632	0.011	0.521	0.519	0.643	0.197	0.642	0.427	0.508	0.19
Compound_968	OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@H]2C[C@H]2[C@@H]3[C@H](C)[C@]3(O2)CC[C@@H](CO3)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.426	0.804	0.001	0.356	0.945	0.866	0.421	0.123	0.937	0.843	0.547
Compound_969	COc1cc2C[C@@H]3N(C[C@H](c2cc1O)c1c3cc2c(c1)OCO2)C	0.505	0.736	0.204	0.245	0.29	0.464	0.02	0.158	0.148	0.264	0.778
Compound_970	O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](N(C)C)C)C)C1)C	0.915	0.89	0.021	0.379	0.594	0.96	0.002	0.943	0.101	0.435	0.583
Compound_971	CCC(C(=O)C12C(=O)C(=C(C(C1=O)(CC=C(C)C)CC(C2(C)CCC=C(C)C)CC=C(C)C)O)CC=C(C)C)C	0.881	0.728	0.113	0.464	0.699	0.62	0.804	0.937	0.356	0.974	0.962
Compound_972	CCCCCc1cc(O)c2c(c1C(=O)O)OC([C@H]1[C@H]2C=C(C)CC1)(C)C	0.702	0.558	0.259	0.472	0.933	0.976	0.98	0.816	0.729	0.998	0.738
Compound_973	CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H]([C@]3([C@H]([C@H](C(=C1C)C2(C)C)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C	0.902	0.712	0.016	0.482	0.895	0.857	0.761	0.409	0.624	0.316	0.768
Compound_974	CC1=C[C@@H]2C(=C(C)CC[C@H]2C(C)C)CC1	0.974	0.435	0.691	0.586	0.565	0.216	0.274	0.736	0.871	0.997	0.489
Compound_975	CC1C(=O)OC2C1C(O)C1(C)C(=O)C=CC1C(C2)C	0.918	0.493	0.02	0.626	0.69	0.236	0.803	0.937	0.318	0.829	0.624
Compound_976	CC1=CCCC(=C)C=C[C@@H](CC1)C(C)C	0.96	0.119	0.705	0.597	0.483	0.339	0.907	0.952	0.861	0.998	0.548
Compound_977	Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c(c(c1)O)O	0.905	0.776	0.975	0.7	0.885	0.952	0.986	0.996	0.886	0.569	0.827
Compound_978	OC1=C[C@@H]2C(=CC[C@@H]3[C@@]2(C)C(=O)C[C@]2([C@@]3(C)C[C@H]([C@@H]2[C@](C(=O)CCC(O)(C)C)(O)C)O)C)C(C1=O)(C)C	0.809	1.0	0.009	0.661	0.821	0.895	0.156	0.841	0.185	0.253	0.174
Compound_979	C[C@@H]1N(C)C(=O)O[C@@H]1c1ccccc1	0.114	0.309	0.601	0.55	0.006	0.083	0.198	0.868	0.147	0.032	0.054
Compound_980	CC(=O)O[C@H]1C[C@@H]2[C@H](C1=C)[C@H]1OC(=O)C(=C)[C@@H]1CCC2=C	0.921	0.563	0.545	0.555	0.709	0.164	0.985	0.938	0.773	0.998	0.919
Compound_981	O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3C[C@H]3[C@@]2(O3)C(=O)C)C)C1)C	0.947	1.0	0.009	0.86	0.934	0.902	0.004	0.99	0.087	0.896	0.143
Compound_982	O=C[C@]12C[C@H]3O[C@@]4(O)[C@H](O)C[C@H](O[C@H]4O[C@@H]3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2([C@]1(O)CC[C@@H]2C1=CC(=O)OC1)C)C	0.922	0.94	0.009	0.764	0.941	0.944	0.783	0.987	0.796	0.082	0.851
Compound_983	CO[C@H]1C=CC2=CCN3[C@]2(C1)c1cc(OC)c(cc1CC3)OC	0.736	0.786	0.205	0.241	0.025	0.435	0.003	0.194	0.642	0.086	0.193
Compound_984	COC(=O)[C@@H]1C[C@]2(CC)CCCN(C2)CCc2c1[nH]c1c2cccc1	0.307	0.687	0.178	0.259	0.511	0.652	0.29	0.142	0.144	0.041	0.725
Compound_985	COc1cc2CC[n+]3c(c2cc1O)cc1c(c3)c(OC)c(cc1)OC	0.132	0.694	0.719	0.731	0.294	0.8	0.018	0.996	0.451	0.034	0.741
Compound_986	COc1ccc2c(c1O)c1c(OC)c(OC)cc3c1[C@H](C2)NCC3	0.246	0.605	0.157	0.494	0.192	0.228	0.165	0.498	0.274	0.02	0.5
Compound_987	CN1CCc2c([C@@H]1[C@@H]1OC(=O)c3c1ccc1c3OCO1)cc1c(c2)OCO1	0.659	0.699	0.935	0.093	0.399	0.618	0.284	0.022	0.264	0.017	0.717
Compound_988	Cc1cc2Cc3cc(O)cc(c3C(=O)c2c(c1)O)O	0.895	0.786	0.992	0.732	0.905	0.996	0.992	0.984	0.915	0.909	0.786
Compound_989	OC[C@H]1O[C@@H](Oc2cc3occ(c(=O)c3c(c2OC)O)c2cc(O)c(c(c2)OC)OC)[C@@H]([C@H]([C@@H]1O)O)O	0.695	0.645	0.268	0.556	0.88	0.482	0.175	0.84	0.433	0.089	0.967
Compound_990	OC[C@H]1O[C@@H](O[C@@H](c2cccc(c2)O)C#N)[C@@H]([C@H]([C@@H]1O)O)O	0.372	0.418	0.154	0.563	0.637	0.33	0.149	0.093	0.271	0.203	0.3
Compound_991	OCC1=CC(=O)C2=C(C)CC[C@@H]3[C@@H]([C@@H]12)OC(=O)C3=C	0.905	0.532	0.083	0.658	0.833	0.308	0.87	0.848	0.642	0.738	0.388
Compound_992	O=CN[C@H]1CCc2c(c3c1cc(=O)c(cc3)OC)c(OC)c(c(c2)OC)OC	0.931	0.775	0.57	0.568	0.138	0.297	0.12	0.961	0.929	0.028	0.093
Compound_993	CC(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@](C(O)(C)C)([C@@H](O)C)O	0.447	0.729	0.068	0.227	0.094	0.157	0.007	0.349	0.282	0.407	0.69
Compound_994	CC=C(C(=O)O[C@H]([C@](C(=O)OCC1=CCN2[C@H]1[C@H](O)CC2)(C(C)C)O)C)C	0.53	0.689	0.054	0.294	0.117	0.255	0.019	0.554	0.376	0.138	0.524
Compound_995	COc1ccc2c(c1)[nH]c1c2CCN2[C@H]1C[C@H]1[C@@H](C2)[C@H](C)OC=C1C(=O)OC	0.564	0.719	0.087	0.34	0.839	0.682	0.865	0.807	0.412	0.787	0.896
Compound_996	O=C1O[C@H]2[C@@H](C1=C)C[C@@H]1[C@](C2)(C)[C@H](O)CCC1=C	0.934	0.98	0.068	0.686	0.787	0.632	0.637	0.935	0.645	0.992	0.519
Compound_997	CN[C@H]1CC[C@]23[C@H](C1(C)C)CC[C@@H]1[C@@]3(C2)CC[C@]2([C@@]1(C)CC[C@@H]2[C@@H](N(C)C)C)C	0.312	0.56	0.012	0.145	0.5	0.786	0.704	0.102	0.357	0.007	0.135
Compound_998	Cn1c(cc(=O)c2c1cccc2)c1ccc2c(c1)OCO2	0.735	0.742	0.994	0.648	0.337	0.847	0.576	0.921	0.646	0.125	0.681
Compound_999	CCC(=O)C1CCCCN1	0.13	0.163	0.018	0.257	0.01	0.013	0.002	0.009	0.15	0.444	0.033
Compound_1000	OC[C@H]1O[C@@H](OC(=O)C(=C)C(CO)O)[C@@H]([C@H]([C@@H]1O)O)O	0.579	0.295	0.037	0.416	0.594	0.436	0.19	0.359	0.573	0.855	0.051