Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	COC(=O)C1=C2Nc3c([C@@]42[C@@H]2C[C@H]1/C(=C\C)/CN2CC4)cccc3	0.569	0.649	0.231	0.169	0.298	0.499	0.524	0.894	0.433	0.008	0.446
Compound_2	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)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O	0.76	0.98	0.0	0.592	0.983	0.808	0.345	0.163	0.886	0.891	0.069
Compound_3	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](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)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O	0.747	0.98	0.0	0.547	0.985	0.863	0.163	0.233	0.877	0.906	0.082
Compound_4	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_5	C[C@@H]1CC[C@@]2(OC1)O[C@@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC[C@@H]3[C@]([C@H]1CC2=O)(C)CC[C@@H](C3)O)C	0.646	0.885	0.003	0.308	0.939	0.876	0.072	0.889	0.201	0.984	0.57
Compound_6	C[C@@H]1CC[C@@]2(OC1)O[C@@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1C[C@H](O)[C@@H]3[C@]([C@H]1CC2)(C)CC[C@@H](C3)O)C	0.851	0.819	0.003	0.336	0.935	0.786	0.138	0.631	0.511	0.984	0.718
Compound_7	C[C@@H]1CC[C@@]2(OC1)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	0.839	0.835	0.003	0.347	0.95	0.779	0.13	0.608	0.511	0.952	0.528
Compound_8	C[C@H]1CC[C@@]2(OC1)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	0.839	0.835	0.003	0.347	0.95	0.779	0.13	0.608	0.511	0.952	0.528
Compound_9	C[C@H]1CC[C@@]2(OC1)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	0.946	0.94	0.005	0.652	0.968	0.831	0.036	0.973	0.574	0.983	0.345
Compound_10	C[C@@H]1CC[C@@]2(OC1)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	0.946	0.94	0.005	0.652	0.968	0.831	0.036	0.973	0.574	0.983	0.345
Compound_11	COC(=O)C1[C@H]2C[C@H]3C4=Nc5c([C@@]14CCN3C/C/2=C/C)cccc5	0.655	0.669	0.538	0.148	0.157	0.173	0.22	0.722	0.313	0.002	0.445
Compound_12	C[C@@H]1CC[C@@]2(OC1)O[C@@H]1[C@@]([C@@H]2C)(O)[C@@]2([C@@H](C1)[C@@H]1CC=C3[C@]([C@H]1CC2)(C)CC[C@@H](C3)O)C	0.933	0.99	0.007	0.71	0.963	0.844	0.229	0.941	0.665	0.93	0.194
Compound_13	CCCOC(=O)[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)[C@@H](O)[C@H]([C@@]2([C@@H]3CC(C)(C)[C@H]([C@@H]2O)OC(=O)/C(=C/C)/C)CO)O)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[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O	0.828	0.96	0.001	0.527	0.979	0.886	0.879	0.583	0.493	0.891	0.199
Compound_14	CCC(C(=O)O[C@H]1[C@H](O)[C@]2(CO)[C@H](O)[C@H](O)[C@@]3(C(=CC[C@H]4[C@@]3(C)CC[C@@H]3[C@]4(C)CC[C@@H](C3(C)C)O[C@@H]3O[C@H](C(=O)O)[C@H]([C@@H]([C@H]3O[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)O[C@H]3OC[C@H]([C@H]([C@@H]3O)O)O)O)[C@@H]2CC1(C)C)C)C	0.793	0.96	0.02	0.484	0.968	0.847	0.714	0.567	0.635	0.891	0.199
Compound_15	OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@@H]([C@H]([C@@H]2O)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)C(=O)O)O[C@H]2CC[C@]3([C@H]([C@@]2(C)CO)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)C[C@H]([C@@]2([C@H]3CC(C)(C)[C@H]([C@@H]2OC(=O)C)OC(=O)/C(=C/C)/C)CO)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.806	0.96	0.002	0.55	0.978	0.887	0.879	0.481	0.665	0.819	0.1
Compound_16	OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@@H]([C@H]([C@@H]2O)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)C(=O)O)O[C@H]2CC[C@]3([C@H]([C@@]2(C)CO)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)C[C@H]([C@@]2([C@H]3CC(C)(C)[C@H]([C@@H]2OC(=O)C)OC(=O)/C(=C\C)/C)CO)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.806	0.96	0.002	0.55	0.978	0.887	0.879	0.481	0.665	0.819	0.1
Compound_17	OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3OC[C@H]([C@@H]([C@H]3O)O)O)[C@@H](O[C@@H]2C(=O)O)O[C@H]2CC[C@]3([C@H]([C@@]2(C)CO)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)C[C@H]([C@@]2([C@H]3CC(C)(C)[C@H]([C@@H]2OC(=O)C)OC(=O)/C(=C/C)/C)CO)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.806	0.96	0.002	0.566	0.978	0.887	0.879	0.739	0.694	0.819	0.1
Compound_18	OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3OC[C@H]([C@@H]([C@H]3O)O)O)[C@@H](O[C@@H]2C(=O)O)O[C@H]2CC[C@]3([C@H]([C@@]2(C)CO)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)C[C@H]([C@@]2([C@H]3CC(C)(C)[C@H]([C@@H]2OC(=O)C)OC(=O)/C(=C\C)/C)CO)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.806	0.96	0.002	0.566	0.978	0.887	0.879	0.739	0.694	0.819	0.1
Compound_19	OCC1OC(OC2C(OC(C(C2OC2OCC(C(C2O)O)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)OC2OCC(C(C2OC2OC(C)C(C(C2O)OC2OC(CO)C(C(C2O)O)O)O)O)C(=O)C)C)C)C(C(C1O)O)O	0.716	0.96	0.001	0.503	0.94	0.732	0.687	0.506	0.452	0.819	0.1
Compound_20	OCC1OC(OC2C(O)C(OC3C(OCC(C3O)C(=O)C)OC(=O)[C@@]34CCC(C[C@H]4C4=CC[C@H]5[C@@]([C@@]4(CC3)C)(C)CC[C@@H]3[C@]5(C)CC[C@@H]([C@@]3(C)C=O)OC3OC(C(=O)O)C(C(C3OC3OC(CO)C(C(C3O)O)O)OC3OCC(C(C3O)O)O)O)(C)C)OC(C2OC2OCC(C(C2O)O)O)C)C(C(C1O)O)O	0.716	0.96	0.001	0.523	0.94	0.732	0.687	0.677	0.452	0.819	0.1
Compound_21	OCC1OC(OC2C(O)C(OC3C(OC(C(C3O)O)C)O[C@H]3CC[C@]4([C@H]([C@]3(C)C=O)CC[C@@]3([C@@H]4CC=C4[C@@]3(C)CC[C@@]3([C@H]4CC(C)(C)CC3)C(=O)O)C)C)OC(C2OC2OCC(C(C2O)O)O)C)C(C(C1O)O)O	0.726	0.96	0.002	0.502	0.972	0.848	0.601	0.736	0.54	0.819	0.1
Compound_22	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_23	OC[C@H]1O[C@@H](O[C@H]2[C@@H](OC[C@@H]([C@@H]2O)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)O)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)O)O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3CC[C@]34[C@@]2(C)C[C@H]([C@@]2([C@H]4C[C@@](C)(C=O)CC2)CO3)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.505	0.834	0.002	0.538	0.941	0.703	0.868	0.22	0.822	0.9	0.362
Compound_24	OC[C@H]1O[C@@H](O[C@H]2[C@@H](OC[C@@H]([C@@H]2O)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O[C@@H]2OC[C@@H]([C@@H]([C@H]2O)O)O)O)O)O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3CC[C@]34[C@@]2(C)C[C@H]([C@@]2([C@H]4C[C@@](C)(C=O)CC2)CO3)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.505	0.834	0.002	0.538	0.948	0.814	0.868	0.22	0.822	0.9	0.362
Compound_25	OC[C@H]1O[C@@H](O[C@H]2[C@@H](OC[C@@H]([C@@H]2O)O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)[C@H]([C@@H]([C@H]2O[C@@H]2OC[C@@H]([C@@H]([C@H]2O)O)O)O)O)O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3CC[C@]34[C@@]2(C)C[C@H]([C@@]2([C@H]4C[C@@](C)(C=O)CC2)CO3)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.538	0.834	0.002	0.538	0.941	0.703	0.868	0.22	0.822	0.9	0.362
Compound_26	OC[C@H]1O[C@@H](O[C@H]2[C@@H](OC[C@@H]([C@@H]2O)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3CC[C@]34[C@@]2(C)C[C@H]([C@@]2([C@H]4C[C@@](C)(C=O)CC2)CO3)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.505	0.834	0.002	0.538	0.95	0.852	0.868	0.085	0.822	0.9	0.362
Compound_27	OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@@]34CCC(C[C@H]4C4=CC[C@H]5[C@@]([C@@]4(CC3)C)(C)CC[C@@H]3[C@]5(C)CC[C@@H]([C@@]3(C)CO)O[C@@H]3OC[C@@H]([C@@H]([C@H]3O[C@@H]3O[C@@H](C)[C@@H]([C@H]([C@H]3O)O)O)O)O)(C)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O	0.823	0.96	0.002	0.542	0.977	0.727	0.601	0.657	0.675	0.874	0.018
Compound_28	OC[C@]1(C)[C@H](CC[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(CC1)(C)C)C(=O)O)C)C)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O	0.793	0.96	0.007	0.476	0.941	0.856	0.601	0.636	0.526	0.874	0.018
Compound_29	OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@@]34CCC(C[C@H]4C4=CC[C@H]5[C@@]([C@@]4(CC3)C)(C)CC[C@@H]3[C@]5(C)CC[C@@H](C3(C)C)O[C@@H]3OC[C@@H]([C@@H]([C@H]3O[C@@H]3O[C@@H](C)[C@@H]([C@H]([C@H]3O)O)O)O)O)(C)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O	0.811	0.96	0.002	0.532	0.977	0.727	0.601	0.625	0.686	0.874	0.018
Compound_30	O[C@H]1CO[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]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C(=O)O)C)C	0.793	0.98	0.012	0.491	0.941	0.856	0.601	0.838	0.591	0.828	0.06
Compound_31	OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@]34CC[C@@]5(C(=CC[C@H]6[C@@]5(C)CC[C@@H]5[C@]6(C)CC[C@@H]([C@@]5(C)CO)O[C@@H]5OC[C@@H]([C@@H]([C@H]5O)O)O)[C@@H]4CC(CC3)(C)C)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O	0.823	0.96	0.002	0.542	0.981	0.839	0.601	0.657	0.675	0.874	0.018
Compound_32	COC(=O)[C@@]1(C)CC[C@]2([C@@H](C1)C1=CC[C@H]3[C@@]([C@@]1(CC2)C)(C)CC[C@@H]1[C@]3(C)CCC([C@@]1(C)CO)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)C(=O)O	0.736	0.97	0.005	0.415	0.944	0.842	0.539	0.896	0.245	0.583	0.099
Compound_33	COC(=O)C1=CO[C@H]([C@H]2[C@@H]1C[C@@H]1N(C2)CC[C@@]21C(=O)Nc1c2ccc(c1OC)OC)C	0.704	0.779	0.077	0.321	0.422	0.358	0.494	0.621	0.353	0.752	0.642
Compound_34	COC(=O)[C@@]1(C)CC[C@]2([C@@H](C1)C1=CC[C@H]3[C@@]([C@@]1(CC2)C)(C)CC[C@@H]1[C@]3(C)C[C@H](O)[C@@H]([C@@]1(C)CO)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)C(=O)O	0.727	0.97	0.005	0.441	0.941	0.838	0.539	0.862	0.245	0.583	0.099
Compound_35	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@H]([C@]2(C)CO)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)CC[C@@]2([C@H]3C[C@](C)(CC2)C(=O)OC)C(=O)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.76	0.98	0.003	0.427	0.941	0.856	0.601	0.796	0.371	0.691	0.172
Compound_36	OCC1OC(OC2COC(C(C2O)O)OC2C(O)CC3(C(C2(C)CO)CCC2(C3CC=C3C2(C)CCC2(C3CC(C)(CC2)C(=O)OC)C(=O)O)C)C)C(C(C1O)O)O	0.76	0.98	0.003	0.452	0.979	0.839	0.601	0.731	0.367	0.691	0.14
Compound_37	OC[C@]1(C)[C@@H](O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)O)[C@@H](O)C[C@]2(C1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@@H]2C[C@](CC1)(C)C(=O)O)C(=O)O)C)C	0.725	0.97	0.005	0.404	0.941	0.838	0.539	0.725	0.204	0.676	0.073
Compound_38	OC[C@H]1O[C@@H](O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)O[C@H]2[C@@H](O)C[C@]3([C@H]([C@]2(C)CO)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)CC[C@@]2([C@H]3C[C@](C)(CC2)C(=O)OC)C(=O)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.816	0.98	0.008	0.608	0.981	0.857	0.601	0.734	0.418	0.691	0.14
Compound_39	OC[C@H]1O[C@@H](O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)O[C@H]2[C@@H](O)C[C@]3(C([C@]2(C)CO)CC[C@@]2([C@@H]3C(=O)C=C3[C@@]2(C)CC[C@@]2([C@@H]3C[C@@](C)(CC2)C(=O)OC)C(=O)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.815	0.98	0.025	0.695	0.981	0.891	0.679	0.65	0.389	0.691	0.14
Compound_40	OC[C@H]1O[C@@H](OC(=O)[C@@]23CC[C@](C[C@H]3C3=CC[C@H]4[C@@]([C@@]3(CC2)C)(C)CC[C@@H]2[C@]4(C)C[C@@H]([C@@H]([C@@]2(C)CO)O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)O)O)(C)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O	0.788	0.98	0.009	0.598	0.979	0.839	0.601	0.863	0.418	0.691	0.14
Compound_41	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([C@]2(C)CO)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)CC[C@@]2([C@@H]3C[C@@](C)(CC2)C(=O)OC)C(=O)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.816	0.98	0.008	0.525	0.982	0.861	0.601	0.811	0.421	0.691	0.172
Compound_42	OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@@H]([C@H]([C@@H]2O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)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)C[C@H]([C@@]2([C@H]3CC(C)(C)CC2)C(=O)O[C@@H]2O[C@H](C)[C@@H]([C@@H]([C@H]2O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)O)O)O)O[C@@H]2O[C@H](C)[C@H]([C@@H]([C@H]2O)O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)O)OC(=O)C)O)C)C)[C@@H]([C@H]([C@H]1O)O)O	0.726	0.96	0.001	0.586	0.945	0.73	0.714	0.594	0.54	0.819	0.1
Compound_43	OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@@H]([C@H]([C@@H]2O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)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)C[C@H]([C@@]2([C@H]3CC(C)(C)CC2)C(=O)O[C@@H]2O[C@H](C)[C@@H]([C@@H]([C@H]2O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)O)O)O)O[C@@H]2O[C@H](C)[C@H]([C@@H]([C@H]2O)O)OC(=O)C)O)C)C)[C@@H]([C@H]([C@H]1O)O)O	0.722	0.96	0.001	0.586	0.945	0.73	0.714	0.594	0.54	0.819	0.1
Compound_44	COC(=O)C1=C[C@]2(CC)CCCN3[C@@H]2c2n1c1ccccc1c2CC3	0.57	0.727	0.191	0.277	0.841	0.609	0.385	0.06	0.389	0.043	0.817
Compound_45	OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O[C@@H]([C@H]2O)CO[C@@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@@H]([C@@H]([C@H]3O)O)O)[C@H]([C@@H]([C@H]2O)O)O)OC(=O)[C@@]23CCC(C[C@H]3C3=CC[C@H]4[C@@]([C@@]3(CC2)C)(C)CC[C@@H]2[C@]4(C)CC[C@@H]([C@@]2(C)C(=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	0.748	0.96	0.001	0.438	0.982	0.729	0.601	0.759	0.566	0.819	0.1
Compound_46	OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O[C@@H]([C@H]2O)CO[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)O)O)OC(=O)[C@@]23CCC(C[C@H]3C3=CC[C@H]4[C@@]([C@@]3(CC2)C)(C)CC[C@@H]2[C@]4(C)CC[C@@H]([C@@]2(C)C(=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	0.748	0.96	0.001	0.485	0.982	0.729	0.601	0.759	0.566	0.819	0.1
Compound_47	OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O[C@@H]([C@H]2O)CO[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)O)O)OC(=O)[C@]23CC[C@@]4(C(=CC[C@H]5[C@@]4(C)CC[C@@H]4[C@]5(C)CC[C@@H]([C@@]4(C)C(=O)O)O[C@@H]4O[C@H](CO)[C@H]([C@@H]([C@H]4O)O)O)[C@@H]3CC(CC2)(C)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.748	0.96	0.001	0.485	0.982	0.729	0.601	0.641	0.575	0.819	0.124
Compound_48	OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O[C@@H]([C@H]2O)CO[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)OC(=O)[C@@]23CCC(C[C@H]3C3=CC[C@H]4[C@@]([C@@]3(C[C@H]2O)C)(C)CC[C@@H]2[C@]4(C)CC[C@@H]([C@@]2(C)C(=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	0.737	0.96	0.001	0.485	0.986	0.841	0.601	0.685	0.566	0.819	0.1
Compound_49	OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O[C@@H]([C@H]2O)CO[C@@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@@H]([C@@H]([C@H]3O)O)O)[C@H]([C@@H]([C@H]2O)O)O)OC(=O)[C@@]23CCC(C[C@H]3C3=CC[C@H]4[C@@]([C@@]3(C[C@H]2O)C)(C)CC[C@@H]2[C@]4(C)CC[C@@H]([C@@]2(C)C(=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	0.737	0.96	0.001	0.485	0.982	0.729	0.601	0.685	0.566	0.819	0.1
Compound_50	OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O[C@@H]([C@H]2O)CO[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)OC(=O)[C@]23CC[C@@]4(C(=C3CC(CC2)(C)C)C=C[C@H]2[C@@]4(C)CC[C@@H]3[C@]2(C)CC[C@@H]([C@@]3(C)C(=O)O)O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)O)C)[C@@H]([C@H]([C@@H]1O)O)O	0.646	0.96	0.003	0.366	0.99	0.842	0.458	0.806	0.59	0.819	0.1
Compound_51	OCCC[C@@]1(C)[C@@H](CC[C@@]2([C@@H]1CC=C1[C@@]2(C)C[C@H]([C@@]2([C@H]1CC(C)(C)CC2)C(=O)O[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[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O)C)C(=C)C(=O)O	0.789	0.96	0.004	0.543	0.99	0.883	0.812	0.793	0.458	0.853	0.156
Compound_52	OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O[C@@H]([C@H]2O)CO[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)OC(=O)[C@]23CC[C@@]4(C(=CC[C@H]5[C@@]4(C)CC[C@@H]4[C@]5(C)CC[C@@H]([C@@]4(C)C(=O)O)O[C@@H]4OC[C@H]([C@@H]([C@H]4O)O)O)[C@@H]3CC(CC2)(C)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.748	0.96	0.001	0.438	0.986	0.841	0.601	0.759	0.566	0.819	0.1
Compound_53	OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@]34CC[C@@]5(C(=CC[C@H]6[C@@]5(C)CC[C@@H]5[C@]6(C)CC[C@@H]([C@@]5(C)C(=O)O)O[C@@H]5OC[C@H]([C@@H]([C@H]5O)O)O)[C@@H]4CC(CC3)(C)C)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.768	0.96	0.005	0.514	0.986	0.841	0.601	0.759	0.566	0.819	0.1
Compound_54	O=C[C@]1(C)[C@@H](O)CC[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(CC1)(C)C)C(=O)O)C)C	0.886	0.89	0.026	0.351	0.927	0.85	0.182	0.98	0.14	0.959	0.113
Compound_55	COC(=O)C1=C2Nc3c([C@@]42[C@@H]2[C@@](C1)(CC)CCCN2CC4)cccc3	0.629	0.684	0.087	0.244	0.25	0.499	0.543	0.526	0.416	0.059	0.691
Compound_56	OC(=O)[C@@]12CCC(C[C@H]2C2=CC[C@H]3[C@@]([C@@]2(CC1)C)(C)CC[C@@H]1[C@]3(C)CC[C@@H]([C@@]1(C)C(=O)O)O)(C)C	0.89	0.89	0.171	0.323	0.95	0.719	0.088	0.97	0.084	0.944	0.112
Compound_57	O=C[C@]1(C)[C@@H](O)CC[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)C[C@@H](O)[C@@]1([C@H]2CC(CC1)(C)C)C(=O)O)C)C	0.89	0.89	0.026	0.419	0.908	0.828	0.088	0.957	0.14	0.944	0.112
Compound_58	O=C[C@@]1(C)CC[C@]23[C@@H](C1)[C@]1(CC[C@H]4[C@@]([C@@]1(C[C@H]3O)C)(C)CC[C@@H]1[C@]4(C)CC[C@@H](C1(C)C)O)OC2	0.757	0.842	0.013	0.54	0.849	0.901	0.442	0.379	0.427	0.951	0.708
Compound_59	OC[C@]1(C)[C@@H](O)CC[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(CC1)(C)C)C(=O)O)C)C	0.914	0.829	0.021	0.34	0.925	0.721	0.088	0.717	0.089	0.836	0.03
Compound_60	O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C(=O)O)C)C	0.911	0.876	0.032	0.305	0.947	0.754	0.227	0.96	0.148	0.997	0.036
Compound_61	OC[C@]1(C)[C@@H](O)[C@@H](O)C[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(CC1)(C)C)C(=O)O)C)C	0.91	0.829	0.023	0.396	0.92	0.721	0.272	0.375	0.098	0.305	0.015
Compound_62	O[C@@H]1C[C@]2(C)C(=CC[C@H]3[C@@]2(C)CC[C@@H]2[C@]3(C)CC[C@@H](C2(C)C)O)[C@H]2[C@@]1(CCC(C2)(C)C)C(=O)O	0.901	0.87	0.032	0.37	0.95	0.719	0.088	0.927	0.148	0.992	0.052
Compound_63	COC(=O)[C@]1(C)CC[C@]2([C@H](C1)C1=CC(=O)[C@H]3[C@@]([C@@]1(CC2)C)(C)CCC1[C@]3(C)C[C@H](O)[C@@H]([C@@]1(C)CO)O)C(=O)O	0.85	0.87	0.052	0.439	0.93	0.897	0.475	0.721	0.235	0.06	0.116
Compound_64	OC[C@]1(C)[C@H](O)[C@H](O)C[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2[C@@H](C)[C@@H](CC1)C)C(=O)O)C)C	0.903	0.85	0.019	0.365	0.92	0.721	0.272	0.343	0.07	0.315	0.011
Compound_65	OC[C@]1(C)[C@@H](O)[C@@H](O)C[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2C[C@@](CC1)(C)C(=O)O)C(=O)O)C)C	0.869	0.87	0.019	0.344	0.92	0.721	0.272	0.375	0.147	0.056	0.05
Compound_66	CC[C@]12CCCN3[C@@H]2c2n(C(=O)C1)c1c(c2CC3)cccc1	0.053	0.887	0.051	0.615	0.241	0.399	0.07	0.02	0.198	0.239	0.918
Compound_67	COC(=O)[C@@]1(C)CC[C@]2([C@@H](C1)C1=CC[C@H]3[C@@]([C@@]1(CC2)C)(C)CC[C@@H]1[C@]3(C)C[C@H](O)[C@@H]([C@@]1(C)CO)O)C(=O)O	0.82	0.87	0.019	0.395	0.919	0.757	0.309	0.834	0.193	0.06	0.116
Compound_68	COC(=O)[C@@]1(C)CC[C@]2([C@@H](C1)C1=CC[C@H]3[C@@]([C@@]1(CC2)C)(C)CC[C@@H]1[C@]3(C)CC[C@@H]([C@@]1(C)CO)O)C(=O)O	0.846	0.88	0.017	0.357	0.924	0.762	0.104	0.958	0.189	0.451	0.156
Compound_69	OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H]([C@]2(C)CO)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](CO[C@@H]3OC[C@H]([C@@H]([C@H]3O)O)O)[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)O	0.842	0.96	0.006	0.542	0.981	0.839	0.601	0.696	0.715	0.874	0.018
Compound_70	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_71	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_72	CC(=O)O[C@@H]1C[C@]2(O)[C@@H]([C@@]3(C1=C[C@@H](O)CC3)C)CC[C@]1([C@]2(O)CC[C@@H]1c1ccc(=O)oc1)C	0.953	1.0	0.517	0.64	0.996	0.975	0.811	0.937	0.894	0.317	0.418
Compound_73	O[C@H]1C[C@H](O)C(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@@H](CCCC(O)(C)C)C)C)/C1	0.94	1.0	0.154	0.723	0.932	0.898	0.526	0.99	0.347	0.989	0.861
Compound_74	O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]24[C@]3(O)O[C@H]3[C@@H]4[C@](OC2)(C)OC3)C1)C	0.898	0.94	0.019	0.716	0.906	0.651	0.156	0.969	0.692	0.887	0.093
Compound_75	O[C@H]1CC[C@]2(C(=CCC3=C4[C@@]5(CC[C@H]23)CO[C@@]2([C@H]5[C@H](O4)CO2)C)C1)C	0.772	0.94	0.051	0.711	0.926	0.697	0.391	0.967	0.668	0.91	0.155
Compound_76	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]1c1ccc(=O)oc1)C)O	0.877	0.95	0.041	0.486	0.97	0.976	0.808	0.346	0.337	0.526	0.588
Compound_77	CC[C@@]12CCCN3[C@H]2c2n(C(=O)C1)c1c(c2CC3)ccc(c1)OC	0.123	0.837	0.109	0.595	0.572	0.65	0.041	0.054	0.429	0.067	0.867
Compound_78	O=C1C=C[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@]1(O)CC[C@@H]2c1ccc(=O)oc1)C)C	0.902	0.99	0.279	0.792	0.98	0.979	0.167	0.829	0.646	0.719	0.238
Compound_79	O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@]1(O)CC[C@@H]2C1=CC(=O)OC1)C)C	0.975	0.98	0.014	0.757	0.991	0.956	0.712	0.983	0.854	0.928	0.723
Compound_80	O=C[C@]12C[C@H]3O[C@]4(O)[C@H](O[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)O[C@@H](C[C@@H]4OC(=O)C)C	0.903	0.99	0.02	0.725	0.951	0.942	0.859	0.972	0.849	0.281	0.989
Compound_81	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_82	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_83	C[C@@H]1C[C@@H](O)[C@]2([C@@H](O1)O[C@H]1[C@H](O2)C[C@]2([C@H](C1)C[C@H]1[C@@]3([C@@H]2[C@H](O)C(=O)[C@]2([C@]3(O)CC[C@@H]2C2=CC(=O)OC2)C)O1)C)O	0.874	0.97	0.01	0.642	0.98	0.918	0.626	0.977	0.572	0.353	0.961
Compound_84	C[C@@H]1CC(=O)[C@]2([C@@H](O1)O[C@H]1[C@H](O2)C[C@]2([C@H](C1)C[C@H]1[C@@]3([C@@H]2[C@H](O)C(=O)[C@]2([C@]3(O)CC[C@@H]2C2=CC(=O)OC2)C)O1)C)O	0.901	0.98	0.019	0.649	0.97	0.908	0.626	0.973	0.529	0.353	0.963
Compound_85	O=C[C@]12C[C@H]3O[C@@]4(O)C(=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	0.907	0.95	0.031	0.739	0.891	0.933	0.621	0.962	0.723	0.082	0.874
Compound_86	O=C[C@]12CC[C@@H](C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2([C@]1(O)C[C@@H]([C@@H]2C1=CC(=O)OC1)O)C)O	0.965	0.96	0.03	0.758	0.942	0.762	0.358	0.986	0.605	0.43	0.775
Compound_87	OC[C@]12CC[C@@H](C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2([C@]1(O)C[C@@H]([C@@H]2C1=CC(=O)OC1)O)C)O	0.98	0.95	0.019	0.747	0.971	0.77	0.531	0.926	0.79	0.855	0.123
Compound_88	CC[C@@]12CCCN3[C@H]2c2n(C=C1)c1c(c2CC3)cccc1	0.468	0.66	0.062	0.421	0.415	0.767	0.057	0.07	0.347	0.074	0.759
Compound_89	O=C[C@@]12CC[C@@H](C[C@@]2(O)CC[C@@H]2[C@@H]1CC[C@]1([C@]2(O)C[C@@H]([C@@H]1C1=CC(=O)OC1)O)C)O	0.962	0.96	0.012	0.735	0.955	0.757	0.358	0.985	0.605	0.43	0.775
Compound_90	O[C@@H]1CC[C@]2([C@](C1)(O)CC[C@@H]1[C@@H]2CC[C@]2([C@]1(O)CC[C@@H]2C1=CC(=O)OC1)C)C	0.977	0.99	0.014	0.744	0.99	0.95	0.594	0.985	0.854	0.812	0.559
Compound_91	O[C@H]1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@]1(O)CC[C@@H]2C1=CC(=O)OC1)C)C	0.972	1.0	0.027	0.782	0.989	0.939	0.475	0.836	0.877	0.928	0.183
Compound_92	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	0.977	0.95	0.004	0.714	0.99	0.95	0.594	0.92	0.79	0.855	0.123
Compound_93	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	0.956	0.96	0.014	0.745	0.976	0.958	0.419	0.985	0.605	0.43	0.775
Compound_94	O[C@H]1CC[C@]2([C@](C1)(O)CC[C@@H]1[C@@H]2CC[C@]2([C@]1(O)CC[C@@H]2C1=CC(=O)OC1)C)C	0.977	0.99	0.014	0.744	0.99	0.95	0.594	0.985	0.854	0.812	0.559
Compound_95	O[C@H]1CC[C@]2([C@](C1)(O)CC[C@@H]1[C@@H]2[C@H](O)C[C@]2([C@]1(O)CC[C@@H]2C1=CC(=O)OC1)C)C	0.977	0.99	0.025	0.721	0.99	0.938	0.531	0.987	0.854	0.812	0.559
Compound_96	OC[C@]12CC[C@@H](C[C@H]1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2([C@]1(O)CC[C@@H]2C1=CC(=O)OC1)C)O	0.975	0.94	0.016	0.729	0.991	0.943	0.657	0.923	0.804	0.941	0.246
Compound_97	OC[C@@]12CC[C@@H](C[C@@]2(O)CC[C@@H]2[C@@H]1[C@H](O)C[C@]1([C@]2(O)CC[C@@H]1C1=CC(=O)OC1)C)O	0.977	0.95	0.007	0.689	0.99	0.938	0.531	0.93	0.804	0.855	0.123
Compound_98	O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2[C@H](O)C[C@]2([C@]1(O)CC[C@@H]2C1=CC(=O)OC1)C)C	0.975	0.98	0.025	0.742	0.991	0.943	0.657	0.985	0.854	0.928	0.723
Compound_99	COC(=O)[C@@]1(O)C[C@@]2(CCCN3[C@@H]2c2n1c1ccccc1c2CC3)C(=O)C	0.431	0.788	0.042	0.363	0.176	0.167	0.068	0.152	0.331	0.005	0.528
Compound_100	O=C[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)O	0.956	0.95	0.014	0.776	0.968	0.964	0.549	0.983	0.605	0.75	0.85
Compound_101	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)O	0.975	0.94	0.009	0.763	0.991	0.956	0.712	0.912	0.79	0.941	0.246
Compound_102	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_103	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)O	0.967	0.98	0.024	0.72	0.958	0.762	0.531	0.99	0.842	0.407	0.948
Compound_104	O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2([C@]1(O)CC[C@@H]2C1=CC(=O)OC1)C)C	0.977	0.99	0.015	0.754	0.99	0.95	0.594	0.99	0.854	0.812	0.559
Compound_105	O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2([C@]1(O)C[C@@H]([C@@H]2C1=CC(=O)OC1)O)C)C	0.98	0.99	0.033	0.745	0.973	0.768	0.531	0.993	0.854	0.812	0.559
Compound_106	O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@]1(O)CC[C@@H]2C1=CC(=O)OC1)C)C	0.975	0.98	0.014	0.757	0.991	0.956	0.712	0.983	0.854	0.928	0.723
Compound_107	O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@]1(O)C[C@@H]([C@@H]2C1=CC(=O)OC1)O)C)C	0.98	0.99	0.03	0.739	0.971	0.77	0.531	0.987	0.854	0.812	0.559
Compound_108	O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@]1(O)C[C@@H]([C@@H]2C1=CC(=O)OC1)OC(=O)C)C)C	0.973	0.99	0.014	0.678	0.971	0.77	0.531	0.979	0.867	0.744	0.991
Compound_109	O[C@H]1CC[C@]2([C@@H](C1)CC[C@@]13[C@@H]2CC[C@]2([C@]3(O1)CC[C@@H]2C1=CC(=O)OC1)C)C	0.977	0.99	0.036	0.729	0.998	0.952	0.808	0.996	0.842	0.901	0.784
Compound_110	OCCC(=C)C(=O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.578	0.345	0.029	0.442	0.404	0.425	0.19	0.371	0.584	0.816	0.041
Compound_111	COC(=O)[C@]1(O)C[C@]2(CC)CCCN3[C@@H]2c2n1c1ccccc1c2CC3	0.383	0.798	0.026	0.417	0.356	0.098	0.168	0.077	0.166	0.004	0.473
Compound_112	O[C@H]1CC[C@]2([C@@H](C1)CC[C@@]13[C@@H]2CC[C@](C3=O)(C)[C@H](CC1)C1=CC(=O)OC1)C	0.929	0.96	0.094	0.646	0.958	0.935	0.726	0.982	0.372	0.611	0.902
Compound_113	O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2([C@]1(O)CC[C@@H]2C1=CC(=O)OC1)C)C	0.977	0.99	0.015	0.754	0.99	0.95	0.594	0.99	0.854	0.812	0.559
Compound_114	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	0.953	0.99	0.091	0.782	0.963	0.938	0.151	0.965	0.626	0.75	0.288
Compound_115	O=C[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)O	0.956	0.95	0.014	0.776	0.968	0.964	0.549	0.983	0.605	0.75	0.85
Compound_116	C[C@H](C1O[C@@H](O)[C@@]2([C@@](C1)(C)O2)C)c1ccc2c(c1)CC[C@H]1[C@H]2[C@@H]2O[C@@H]2[C@@]2([C@]1(C)C(=O)C=CC2)O	0.807	0.852	0.113	0.542	0.939	0.695	0.832	0.764	0.599	0.98	0.567
Compound_117	CC1=C(C)C(=O)O[C@H](C1)[C@H]([C@H]1CC[C@@H]2[C@]1(C)[C@@H](O)C[C@H]1[C@H]2[C@@H]2O[C@@H]2[C@@]2([C@]1(C)C(=O)C=CC2)O)C	0.86	0.948	0.056	0.666	0.998	0.958	0.807	0.947	0.672	0.871	0.804
Compound_118	CC1=C(C)C(=O)O[C@H](C1)[C@H]([C@H]1CC[C@@H]2[C@]1(C)C(=O)C[C@H]1[C@H]2[C@@H]2O[C@@H]2[C@@]2([C@]1(C)C(=O)C=CC2)O)C	0.848	0.927	0.057	0.667	0.919	0.695	0.8	0.969	0.532	0.827	0.762
Compound_119	O[C@@H]1C=C2CC=CC(=O)[C@@]2([C@@H]2[C@@H]1[C@@]1(O)O[C@]34[C@@H](C1=O)[C@]1(C)C[C@H]([C@]4(C)OC(=O)[C@]3(CC2)O)OC(=O)C1=C)C	0.753	0.968	0.012	0.678	0.588	0.627	0.885	0.88	0.448	0.859	0.205
Compound_120	O=C1O[C@@H]2C[C@@]3([C@H]1CO[C@@]14C(=O)[C@@H]3[C@@]3([C@@]2(C)OC(=O)[C@]3(O)CC[C@H]2[C@H]4CC=C3[C@]2(C)C(=O)C=CC3)O1)C	0.731	1.0	0.013	0.712	0.744	0.569	0.902	0.964	0.449	0.599	0.43
Compound_121	O=C1O[C@@H]2C[C@@](C1=C)(C)[C@@H]1[C@@]34[C@@]2(C)OC(=O)[C@@]4(O)CC[C@H]2[C@H]([C@@](C1=O)(O3)O)CC=C1[C@]2(C)C(=O)C=CC1	0.806	1.0	0.014	0.684	0.581	0.612	0.924	0.881	0.449	0.845	0.368
Compound_122	COC(=O)[C@@]1(O)C[C@@]2(CCCN3[C@@H]2c2n1c1cc(OC)ccc1c2CC3)C(=O)C	0.53	0.778	0.052	0.411	0.397	0.4	0.155	0.305	0.348	0.142	0.647
Compound_123	O=C1O[C@@H]2C[C@@]3([C@H]1CO[C@@]14C(=O)[C@@H]3[C@@]3([C@@]2(C)OC(=O)[C@]3(O)CC[C@H]2[C@H]4C[C@@H](O)[C@@]3([C@]2(C)C(=O)C=CC3)O)O1)C	0.753	0.89	0.004	0.692	0.689	0.537	0.865	0.918	0.448	0.536	0.895
Compound_124	O[C@@H]1C[C@@]2(O)CC=CC(=O)[C@@]2([C@@H]2[C@@H]1[C@@]13OC[C@H]4[C@@]5([C@@H](C3=O)[C@@]3(O1)[C@@](CC2)(O)C(=O)O[C@@]3(C)[C@@H](C5)OC4=O)C)C	0.752	0.91	0.004	0.683	0.689	0.537	0.865	0.929	0.448	0.536	0.867
Compound_125	O=C1O[C@@H]2C[C@@]3([C@H]1CO[C@@]14C(=O)[C@@H]3[C@@]3([C@@]2(C)OC(=O)[C@]3(O)CC[C@H]2[C@H]4C[C@H]3O[C@]43[C@]2(C)C(=O)C=CC4)O1)C	0.75	0.9	0.004	0.65	0.87	0.558	0.92	0.936	0.451	0.594	0.89
Compound_126	O[C@@H]1C=C2C=CCC(=O)[C@@]2([C@@H]2[C@@H]1[C@@]1(O)O[C@]34[C@H](C1=O)[C@]1(C)C[C@H]([C@]4(C)OC(=O)[C@@]3(CC2)O)OC(=O)[C@H]1C)C	0.815	0.968	0.021	0.723	0.523	0.643	0.569	0.977	0.45	0.825	0.178
Compound_127	O[C@@H]1CC(=O)[C@]2(C(=C1)C=C[C@@H]1[C@@H]2CC[C@]2(O)C(=O)O[C@@]3([C@]42[C@@H]2[C@@]1(OC[C@@H]1[C@@]2(C)C[C@H]3OC1=O)C(=O)O4)C)C	0.861	1.0	0.023	0.651	0.94	0.803	0.628	0.973	0.403	0.679	0.433
Compound_128	OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=C2)[C@H](OC(=O)C)C[C@@]2([C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3c2ccc(=O)oc2)C)O)C)[C@@H]([C@H]([C@@H]1O)O)O	0.885	1.0	0.015	0.519	0.99	0.966	0.865	0.19	0.96	0.179	0.435
Compound_129	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]3c2ccc(=O)oc2)C)C=O)[C@@H]([C@H]([C@@H]1O)O)O	0.822	0.95	0.01	0.42	0.974	0.968	0.922	0.098	0.748	0.054	0.643
Compound_130	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]1c1ccc(=O)oc1)C)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O	0.797	0.96	0.005	0.468	0.968	0.963	0.911	0.069	0.786	0.13	0.787
Compound_131	O=C[C@]12CC[C@@H](C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2([C@]1(O)C[C@@H]([C@@H]2C1=CC(=O)OC1)O)C)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O	0.924	0.97	0.005	0.752	0.92	0.736	0.852	0.787	0.86	0.068	0.845
Compound_132	OC[C@]12CC[C@@H](C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2([C@]1(O)C[C@@H]([C@@H]2C1=CC(=O)OC1)O)C)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O	0.949	0.98	0.003	0.74	0.953	0.74	0.92	0.504	0.954	0.554	0.087
Compound_133	C/C=C\1/CN2[C@@H]3C4[C@H]1C[C@H]2C1=Nc2c([C@]1([C@@H]4OC(=O)C)C3)cccc2	0.709	0.717	0.557	0.181	0.454	0.499	0.025	0.838	0.344	0.003	0.567
Compound_134	CO[C@H]1C[C@H](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)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	0.923	0.99	0.001	0.636	0.987	0.92	0.911	0.671	0.877	0.661	0.935
Compound_135	CO[C@H]1C[C@H](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)O[C@@H]([C@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)C	0.923	0.99	0.001	0.636	0.97	0.952	0.911	0.726	0.86	0.661	0.935
Compound_136	CO[C@H]1C[C@H](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)O[C@@H]([C@H]1O)C	0.938	0.99	0.003	0.719	0.955	0.939	0.852	0.979	0.8	0.244	0.993
Compound_137	CO[C@H]1C[C@H](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)CO)O[C@@H]([C@H]1O)C	0.96	1.0	0.0	0.678	0.975	0.925	0.92	0.925	0.931	0.557	0.666
Compound_138	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_139	CO[C@H]1[C@H](O)C(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)O[C@H](C1O)C	0.923	0.99	0.0	0.691	0.955	0.939	0.852	0.925	0.862	0.244	0.986
Compound_140	CO[C@@H]1C[C@H](O[C@H]2CC[C@]3([C@](C2)(O)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)C[C@@H]([C@@H]3C2=CC(=O)OC2)O)C)C=O)O[C@@H]([C@@H]1O)C	0.934	0.99	0.002	0.709	0.936	0.733	0.852	0.979	0.785	0.244	0.986
Compound_141	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_142	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_143	COC(=O)C1=C2Nc3c([C@]42[C@H]2[C@@](C1)(CCCN2CC4)C(=O)C)cccc3	0.628	0.692	0.141	0.213	0.072	0.344	0.241	0.543	0.423	0.008	0.526
Compound_144	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_145	CC[C@@H](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)CCC1[C@]2(C)CCC(=O)C1(C)C)C)C(=O)O)C	0.878	0.86	0.506	0.399	0.969	0.748	0.357	0.974	0.311	0.95	0.365
Compound_146	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_147	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_148	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_149	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_150	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_151	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_152	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_153	OC[C@H]1O[C@@H](O[C@@H]2[C@@H](C)O[C@H](C[C@@H]2OC(=O)C)O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)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	0.93	0.99	0.001	0.702	0.992	0.898	0.954	0.572	0.974	0.773	0.918
Compound_154	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_155	OC[C@H]1O[C@@H](O[C@@H]2[C@@H](C)O[C@H](C[C@@H]2OC(=O)C)O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)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)C[C@@H]([C@@H]3C2=CC(=O)OC2)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.922	0.99	0.003	0.691	0.968	0.7	0.954	0.619	0.974	0.773	0.918
Compound_156	OC[C@H]1O[C@@H](O[C@@H]2[C@@H](C)O[C@H](C[C@@H]2OC(=O)C)O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)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]3C[C@@H](O)[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.93	0.99	0.001	0.676	0.994	0.898	0.954	0.631	0.974	0.773	0.918
Compound_157	O=C1OCC(=C1)[C@H]1CC[C@]2([C@]1(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)O	0.952	1.0	0.003	0.809	0.983	0.947	0.954	0.939	0.95	0.739	0.918
Compound_158	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_159	O=C1OCC(=C1)[C@H]1CC[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	0.952	1.0	0.003	0.826	0.986	0.947	0.954	0.956	0.95	0.714	0.867
Compound_160	O=C1OCC(=C1)[C@H]1[C@@H](O)C[C@]2([C@]1(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)O	0.948	1.0	0.006	0.799	0.961	0.735	0.954	0.949	0.95	0.714	0.867
Compound_161	CC(=O)O[C@H]1C[C@H](O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)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)O[C@@H]([C@H]1O)C	0.938	0.99	0.002	0.782	0.983	0.947	0.954	0.943	0.967	0.281	0.989
Compound_162	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_163	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_164	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_165	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_166	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)O)C)C)O[C@@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)C	0.938	1.0	0.0	0.64	0.961	0.739	0.954	0.761	0.971	0.557	0.617
Compound_167	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_168	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]1O[C@H](C)[C@@H]([C@@H]([C@H]1O)OC)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O	0.902	0.99	0.0	0.621	0.954	0.738	0.954	0.762	0.96	0.661	0.935
Compound_169	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_170	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)O)O	0.923	0.97	0.002	0.713	0.97	0.952	0.911	0.559	0.851	0.446	0.486
Compound_171	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_172	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_173	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_174	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_175	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_176	OC[C@@]12CC[C@@H](C[C@@]2(O)CCC2C1CC[C@]1([C@]2(O)CC[C@@H]1C1=CC(=O)OC1)C)O[C@@H]1OC(CO[C@@H]2C(O)C[C@H](OC2C)O)[C@H](C(C1O)O)O	0.954	0.98	0.001	0.713	0.985	0.944	0.954	0.547	0.967	0.554	0.087
Compound_177	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_178	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_179	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_180	O=C1OCC(=C1)[C@H]1CC[C@]2([C@]1(C)CC[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	0.002	0.744	0.969	0.923	0.92	0.756	0.976	0.714	0.867
Compound_181	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_182	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)C[C@@H]([C@@H]3C2=CC(=O)OC2)OC(=O)C)C)C)O[C@H]([C@@H]1O)C	0.935	0.99	0.002	0.651	0.959	0.739	0.947	0.969	0.966	0.244	0.993
Compound_183	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_184	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_185	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_186	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_187	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_188	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)O)C)C)O[C@@H]([C@@H]1O)C	0.942	1.0	0.001	0.669	0.953	0.74	0.92	0.937	0.977	0.463	0.905
Compound_189	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_190	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_191	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_192	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_193	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_194	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_195	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_196	CC[C@@]12CCCN(C2)CCc2c(CC1)[nH]c1c2cccc1	0.168	0.582	0.155	0.229	0.525	0.668	0.036	0.074	0.719	0.283	0.343
Compound_197	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	0.922	0.99	0.0	0.698	0.925	0.937	0.852	0.925	0.862	0.244	0.986
Compound_198	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_199	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_200	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_201	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_202	CC[C@@]12CCCN3[C@H]2[C@]2([C@@H](CC1)N(c1c2cccc1OC)C(=O)C)CC3	0.709	0.776	0.243	0.23	0.268	0.303	0.157	0.09	0.354	0.666	0.278
Compound_203	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
Compound_204	COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)c1cc(OC)c(c(c1)OC)OC	0.653	0.81	0.467	0.331	0.871	0.701	0.988	0.206	0.734	0.213	0.807
Compound_205	OC[C@@]1(O)C[C@@]23C[C@H]1CC[C@H]3[C@]1([C@H](CC2)c2ccoc2CC1)C	0.523	0.768	0.03	0.418	0.558	0.938	0.83	0.072	0.367	0.289	0.461
Compound_206	OC[C@@]1(O)C[C@@]23C[C@H]1CC[C@H]3[C@]1([C@H](CC2)c2ccoc2C=C1)C	0.679	0.721	0.069	0.514	0.5	0.921	0.823	0.368	0.428	0.305	0.608
Compound_207	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_208	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_209	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_210	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_211	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_212	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_213	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=C/C=C/c1ccccc1)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_214	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_215	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_216	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_217	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_218	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_219	C/C=C(\C(=O)O[C@H]1C(=C[C@]23[C@]1(O)[C@H](O)C(=C[C@@H](C3=O)[C@H]1[C@@H](C[C@H]2C)C1(C)C)CO)C)/C	0.922	0.57	0.027	0.665	0.829	0.408	0.886	0.689	0.511	0.051	0.652
Compound_220	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_221	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_222	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_223	COc1cc(ccc1O)CC(=O)OCC1=C[C@H]2[C@H]3OC4(O[C@]2([C@H]2[C@@](C1)(O)C(=O)C(=C2)C)[C@@H](C[C@@]3(O4)C(=C)C)C)Cc1ccccc1	0.787	0.86	0.089	0.643	0.981	0.649	0.971	0.956	0.41	0.66	0.513
Compound_224	CC(=O)O[C@H]1[C@@H](C)/C=C\C(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_225	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_226	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_227	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_228	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_229	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_230	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_231	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](O)C(=C(C2(C)C)[C@H](C1=O)O)C)C)O	0.888	0.714	0.003	0.637	0.817	0.83	0.794	0.479	0.446	0.356	0.767
Compound_232	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_233	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_234	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_235	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_236	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_237	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_238	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_239	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_240	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_241	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_242	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_243	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]2O)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_244	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_245	CC(=O)O[C@H]1/C=C/2\C[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_246	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_247	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](OC(=O)[C@@H]([C@H](c1ccccc1)NC(=O)c1ccccc1)O)C2)(C)C)O)OC(=O)c1ccccc1)(CO3)OC(=O)C	0.952	0.707	0.005	0.556	0.721	0.814	0.335	0.72	0.389	0.39	0.773
Compound_248	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_249	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)OC(=O)C)C)O)OC(=O)C)O)c1ccccc1)\C	0.931	0.707	0.009	0.522	0.439	0.777	0.32	0.859	0.396	0.39	0.773
Compound_250	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_251	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_252	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_253	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_254	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_255	CC(C1=CC2=CC[C@@H]3[C@]([C@H]2CC1)(C)CCC[C@@]3(C)C(=O)O)C	0.945	0.528	0.339	0.384	0.916	0.669	0.662	0.611	0.09	0.989	0.142
Compound_256	OC/C=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_257	C=C[C@]1(C)CC[C@H]2C(=C1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O	0.906	0.548	0.278	0.365	0.916	0.327	0.915	0.846	0.092	0.992	0.318
Compound_258	C=C[C@@]1(C)CC[C@H]2C(=CC[C@@H]3[C@]2(C)CCC[C@@]3(C)C(=O)O)C1	0.866	0.548	0.177	0.343	0.918	0.411	0.731	0.848	0.092	0.992	0.318
Compound_259	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_260	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	0.727	0.98	0.024	0.321	0.965	0.711	0.529	0.731	0.345	0.438	0.49
Compound_261	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_262	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_263	C=C1[C@@H]2CC[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	0.906	0.87	0.115	0.61	0.768	0.67	0.5	0.569	0.408	0.883	0.73
Compound_264	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_265	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_266	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_267	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_268	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_269	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_270	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_271	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_272	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_273	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_274	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_275	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_276	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_277	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_278	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_279	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_280	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_281	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_282	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_283	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_284	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_285	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_286	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_287	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_288	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_289	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_290	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_291	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_292	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_293	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_294	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	0.842	0.904	0.022	0.506	0.812	0.677	0.671	0.169	0.414	0.897	0.409
Compound_295	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_296	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_297	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_298	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_299	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_300	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_301	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_302	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_303	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_304	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_305	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_306	O=C(OC[C@]12O[C@H]1[C@H]([C@H]1[C@@H]2[C@H](O)OC=C1)O)/C=C\c1ccccc1	0.896	0.542	0.035	0.698	0.913	0.707	0.959	0.679	0.517	0.613	0.815
Compound_307	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_308	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_309	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_310	O=C/C=C(/CCC=C(C)C)\C	0.835	0.015	0.701	0.514	0.17	0.252	0.952	0.948	0.9	0.995	0.952
Compound_311	O=C/C=C(\CCC=C(C)C)/C	0.835	0.015	0.701	0.514	0.17	0.252	0.952	0.948	0.9	0.995	0.952
Compound_312	OC/C=C(/CCC=C(C)C)\C	0.373	0.143	0.206	0.44	0.192	0.048	0.085	0.129	0.511	0.12	0.894
Compound_313	OC/C=C(\CCC=C(C)C)/C	0.373	0.143	0.206	0.44	0.192	0.048	0.085	0.129	0.511	0.12	0.894
Compound_314	C=C[C@@](CCC=C(C)C)(O)C	0.773	0.12	0.104	0.56	0.298	0.032	0.068	0.973	0.472	0.459	0.881
Compound_315	C=C[C@](CCC=C(C)C)(O)C	0.773	0.12	0.104	0.56	0.298	0.032	0.068	0.973	0.472	0.459	0.881
Compound_316	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_317	COc1ccc2c(c1O)c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3	0.188	0.744	0.533	0.319	0.248	0.299	0.011	0.805	0.178	0.117	0.185
Compound_318	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_319	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_320	C=CC(=C)CCC=C(C)C	0.868	0.095	0.76	0.572	0.204	0.015	0.943	0.991	0.853	0.988	0.954
Compound_321	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_322	C=C/C(=C\CC=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_323	C=C/C(=C/CC=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_324	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_325	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_326	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_327	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_328	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_329	COc1ccc(cc1O)C[C@@H]1N(C)CCc2c1cc(O)c(c2)OC	0.178	0.68	0.12	0.25	0.157	0.322	0.003	0.055	0.143	0.191	0.293
Compound_330	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_331	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_332	CC1=CC[C@@H](CC1)C(=C)C	0.949	0.23	0.666	0.595	0.195	0.03	0.94	0.952	0.909	0.997	0.791
Compound_333	CC1=CC[C@H](CC1)C(=C)C	0.949	0.23	0.666	0.595	0.195	0.03	0.94	0.952	0.909	0.997	0.791
Compound_334	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_335	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_336	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_337	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_338	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_339	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_340	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_341	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_342	O=C1C[C@]2([C@@H](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_343	O=C1C[C@]2([C@@H]([C@H]1C)C2)C(C)C	0.976	0.445	0.13	0.482	0.27	0.16	0.056	0.136	0.302	0.946	0.707
Compound_344	O=C1C[C@]2([C@@H]([C@@H]1C)C2)C(C)C	0.976	0.445	0.13	0.482	0.27	0.16	0.056	0.136	0.302	0.946	0.707
Compound_345	OC[C@H]1O[C@@H](O[C@@]23C[C@@H]4[C@@]3(COC(=O)c3ccccc3)[C@@H]3O[C@@]2(C)C[C@]4(O3)O)[C@@H]([C@H]([C@@H]1O)O)O	0.485	0.706	0.027	0.458	0.869	0.669	0.972	0.098	0.637	0.841	0.335
Compound_346	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_347	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_348	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_349	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_350	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	0.993	0.673	0.989	0.161	0.597	0.738	0.847
Compound_351	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_352	C=C/C=C\CC1=C(C)[C@H](CC1=O)OC(=O)[C@@H]1[C@H](C1(C)C)C=C(C)C	0.775	0.646	0.572	0.632	0.903	0.301	0.795	0.997	0.454	0.999	0.973
Compound_353	C=C/C=C\CC1=C(C)[C@H](CC1=O)OC(=O)[C@@H]1[C@H](C1(C)C)/C=C(/C(=O)OC)\C	0.807	0.686	0.572	0.616	0.912	0.34	0.954	0.996	0.494	0.994	0.982
Compound_354	C/C=C\CC1=C(C)[C@H](CC1=O)OC(=O)[C@@H]1[C@H](C1(C)C)C=C(C)C	0.711	0.636	0.454	0.571	0.905	0.213	0.786	0.993	0.445	0.998	0.978
Compound_355	C/C=C\CC1=C(C)[C@H](CC1=O)OC(=O)[C@@H]1[C@H](C1(C)C)/C=C(/C(=O)OC)\C	0.757	0.676	0.454	0.552	0.914	0.246	0.952	0.991	0.486	0.992	0.989
Compound_356	CC/C=C\CC1=C(C)[C@H](CC1=O)OC(=O)[C@@H]1[C@H](C1(C)C)C=C(C)C	0.688	0.609	0.334	0.596	0.905	0.213	0.786	0.989	0.445	0.999	0.992
Compound_357	CC/C=C\CC1=C(C)[C@H](CC1=O)OC(=O)[C@@H]1[C@H](C1(C)C)/C=C(/C(=O)OC)\C	0.738	0.649	0.334	0.576	0.914	0.246	0.952	0.987	0.486	0.996	0.996
Compound_358	CC(=O)OCC1=CO[C@H]([C@H]2C1=C[C@@H]([C@]12OC1)OC(=O)CC(C)C)OC(=O)CC(C)C	0.864	0.677	0.095	0.608	0.892	0.48	0.976	0.984	0.598	0.895	0.224
Compound_359	CC(CC(=O)OCC1=CO[C@H]([C@H]2C1=C[C@@H]([C@@]12CO1)OC(=O)C)OC(=O)CC(C)C)C	0.856	0.697	0.095	0.608	0.892	0.48	0.976	0.984	0.626	0.948	0.172
Compound_360	CC(CC(=O)O[C@@H]1OC=C(C2=C[C@@H]([C@@]3([C@@H]12)CO3)OC(=O)CC(OC(=O)C)(C)C)COC(=O)C)C	0.852	0.702	0.135	0.6	0.923	0.558	0.978	0.983	0.565	0.895	0.231
Compound_361	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_362	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_363	CC(CC(=O)OCC1=CO[C@H]([C@H]2[C@@H]1C[C@@H]([C@@]12CO1)OC(=O)C)OC(=O)CC(C)C)C	0.918	0.736	0.155	0.492	0.916	0.687	0.994	0.889	0.61	0.966	0.745
Compound_364	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_365	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_366	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_367	OCC1=C[C@H]([C@H]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	0.553	0.481	0.034	0.471	0.672	0.552	0.121	0.398	0.695	0.648	0.174
Compound_368	OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@@H]3[C@H]2[C@@]2(CO)O[C@H]2[C@H]3O)[C@@H]([C@H]([C@@H]1O)O)O	0.614	0.5	0.01	0.495	0.905	0.683	0.66	0.322	0.671	0.719	0.28
Compound_369	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_370	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_371	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_372	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_373	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_374	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_375	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_376	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_377	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_378	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_379	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_380	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_381	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_382	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_383	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_384	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_385	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_386	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@H](/C/2=C\C)CC(=O)OCCc2ccc(c(c2)O)O)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O	0.635	0.685	0.051	0.57	0.822	0.46	0.354	0.77	0.377	0.722	0.721
Compound_387	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_388	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_389	C/C/1=C/CC/C(=C\C(=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_390	OC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C	0.453	0.143	0.206	0.44	0.192	0.048	0.085	0.129	0.511	0.12	0.894
Compound_391	C/C/1=C\CCC(=C)/C=C/C(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_392	CC(=O)O[C@H]1C(=O)/C(=C/CCC(=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_393	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_394	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_395	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_396	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_397	OC[C@H]1O[C@@H](O[C@]23C[C@H](C(=O)[C@@H]3[C@](C3(C(=C2)C)CC3)(C)O)C)[C@@H]([C@H]([C@@H]1O)O)O	0.744	0.762	0.004	0.631	0.911	0.748	0.178	0.31	0.504	0.499	0.274
Compound_398	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_399	OC[C@H]1O[C@@H](OC2=C(C)C3([C@@]([C@@H]4C2C[C@@](C4=O)(C)CO)(C)O)CC3)[C@@H]([C@H]([C@@H]1O)O)O	0.673	0.782	0.003	0.418	0.819	0.744	0.435	0.134	0.376	0.823	0.174
Compound_400	OCCc1c(C)cc2c(c1C)C(=O)[C@@H](C2)C	0.335	0.492	0.783	0.491	0.053	0.593	0.163	0.022	0.415	0.073	0.366
Compound_401	C=CC(=C)CC/C=C(/CCC=C(C)C)\C	0.865	0.049	0.76	0.529	0.204	0.015	0.943	0.976	0.853	0.997	0.951
Compound_402	C=C/C(=C/C/C=C(/CCC=C(C)C)\C)/C	0.827	0.049	0.723	0.525	0.201	0.024	0.943	0.976	0.853	0.997	0.951
Compound_403	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_404	CC1=CC[C@H](CC1)[C@]1(C)CCC(=O)C(O1)(C)C	0.921	0.733	0.331	0.588	0.07	0.104	0.201	0.384	0.218	0.957	0.738
Compound_405	CC1=CC[C@H](CC1)[C@]1(C)CC[C@H](O1)C(O)(C)C	0.923	0.538	0.044	0.531	0.561	0.139	0.406	0.438	0.482	0.458	0.892
Compound_406	CC(=CCC[C@@]([C@H]1CCC(=CC1)C)(O)C)C	0.959	0.21	0.123	0.525	0.233	0.044	0.038	0.706	0.381	0.805	0.755
Compound_407	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_408	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_409	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_410	OC/C/1=C\[C@@H](O)[C@H]2[C@H](C/C(=C/CC1)/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_411	O=C1O[C@@H]2[C@H](C1=C)CC[C@@H]([C@]1([C@@]2(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_412	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_413	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_414	COc1c(OC)cc2c3c1Oc1cc4c(cc1OC)CCN([C@H]4Cc1ccc(Oc4cc(C[C@H]3N(CC2)C)ccc4O)cc1)C	0.322	0.803	0.243	0.36	0.79	0.768	0.418	0.04	0.156	0.15	0.414
Compound_415	OC/C/1=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@H](C/C(=C/CC1)/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_416	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_417	CC(=O)O[C@H]1[C@H]2[C@H](OC(=O)C2=C)C[C@H]([C@H]2[C@@]1(C)C(=O)C=C2)C	0.947	0.509	0.169	0.616	0.735	0.259	0.981	0.997	0.385	0.964	0.921
Compound_418	O=C(C(C)C)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	0.944	0.519	0.169	0.617	0.735	0.259	0.981	0.997	0.332	0.967	0.899
Compound_419	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_420	C[C@@H]1C(=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	0.918	0.493	0.02	0.626	0.69	0.236	0.803	0.937	0.318	0.829	0.624
Compound_421	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_422	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_423	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_424	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_425	COc1cc2CCN([C@H]3c2cc1Oc1c2c(CCN([C@H]2Cc2ccc(Oc4cc(C3)ccc4O)cc2)C)cc(c1OC)OC)C	0.312	0.803	0.243	0.36	0.79	0.768	0.418	0.04	0.156	0.15	0.414
Compound_426	O=C1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@]2([C@H]([C@H]1C)CC[C@H]4C)OO3	0.926	0.861	0.013	0.347	0.88	0.134	0.971	0.613	0.622	0.987	0.788
Compound_427	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_428	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_429	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_430	CC(=O)O[C@H]1CC(=C2[C@@H]([C@@H]3[C@@H]1[C@H](C)C(=O)O3)[C@](C=C2)(C)O)C	0.858	0.623	0.076	0.595	0.904	0.119	0.986	0.984	0.478	0.919	0.518
Compound_431	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_432	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_433	C/C/1=C/C[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_434	C/C/1=C/CC(=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_435	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_436	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_437	C/C/1=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_438	OO[C@@H]1CC/C(=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_439	C/C/1=C\[C@H]2OC(=O)C(=C)[C@@H]2CCC(=C)C(=O)CC1	0.906	0.584	0.145	0.634	0.589	0.479	0.974	0.97	0.595	0.999	0.88
Compound_440	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_441	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_442	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_443	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_444	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_445	OCC(=CC(=O)O[C@@H]1C/C(=C/CC/C(=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_446	C/C/1=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_447	C/C/1=C/[C@H]2OC(=O)C(=C)[C@@H]2CC/C(=C\CC1)/C	0.889	0.58	0.201	0.585	0.559	0.437	0.96	0.982	0.677	1.0	0.916
Compound_448	C[C@H]1CCC[C@]2(C1=C[C@H]1[C@@H](C2)OC(=O)C1=C)C	0.943	0.99	0.149	0.626	0.812	0.683	0.785	0.998	0.701	1.0	0.553
Compound_449	O=C1O[C@H]2[C@@H](C1=C)C[C@@H]1[C@](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_450	C=C1C(=O)O[C@H]2[C@H]1CCC(=C)[C@H]1[C@@H]2C(=C)CC1	0.89	0.468	0.343	0.534	0.616	0.285	0.909	0.949	0.753	1.0	0.848
Compound_451	CC(=O)O[C@@H]1/C=C(/C)\CC/C=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_452	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_453	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_454	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_455	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_456	C/C=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)O)/C	0.939	0.784	0.007	0.634	0.845	0.544	0.979	0.998	0.609	0.918	0.943
Compound_457	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_458	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_459	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_460	C/C/1=C/[C@H]2OC(=O)C(=C)[C@@H]2C[C@@H](/C(=C\CC1)/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_461	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_462	C/C=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_463	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_464	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_465	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_466	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_467	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_468	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_469	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_470	C/C/1=C\CC[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_471	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_472	C/C/1=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_473	C/C/1=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_474	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_475	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_476	COc1c(OC)cc2c3c1Oc1cc4C(=NCCc4cc1OC)Cc1ccc(Oc4c(c(C[C@H]3N(CC2)C)ccc4OC)OC)cc1	0.519	0.738	0.412	0.283	0.789	0.85	0.833	0.061	0.465	0.057	0.423
Compound_477	CC(=O)O[C@@H]1/C=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_478	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_479	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_480	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_481	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_482	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_483	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_484	C=C1CC[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2[C@](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_485	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_486	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_487	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_488	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_489	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_490	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_491	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_492	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_493	C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)[C@]1(C)C(=O)CC[C@H]1[C@@H](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_494	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_495	C[C@H](C[C@H](C1=CC[C@H]2[C@H](C[C@@H]1C)OC(=O)C2=C)OC(=O)C)O	0.909	0.544	0.197	0.669	0.789	0.133	0.987	0.997	0.477	0.995	0.859
Compound_496	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_497	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_498	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_499	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_500	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_501	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_502	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_503	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_504	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_505	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_506	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_507	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_508	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_509	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_510	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_511	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_512	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_513	OC[C@H]1O[C@@H](O[C@H]2C/C=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_514	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_515	C/C(=C\C=C\C=C(\C=C\C=C(\C(=O)O)/C)/C)/C=C/C=C(/C(=O)O)\C	0.784	0.138	0.694	0.447	0.683	0.137	0.982	0.93	0.72	0.843	0.952
Compound_516	OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H]([C@@H]([C@H]4O)O)O)[C@H]([C@@H]([C@H]3O)O)O)\C)\C)/C)/C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O	0.7	0.545	0.337	0.508	0.941	0.827	0.866	0.833	0.809	0.912	0.574
Compound_517	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_518	CN1Cc2c([C@@H]3[C@H]1c1cc4OCOc4cc1C[C@@H]3O)ccc1c2OCO1	0.412	0.653	0.499	0.217	0.358	0.455	0.018	0.162	0.192	0.622	0.561
Compound_519	C[C@@H]1CC[C@]2([C@@H]([C@H]1C)C1=CC[C@H]3[C@@]([C@@]1(CC2)C)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)C	0.981	0.791	0.059	0.561	0.931	0.809	0.302	0.973	0.441	0.995	0.515
Compound_520	O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C)C)C	0.981	0.791	0.07	0.548	0.931	0.809	0.302	0.971	0.477	0.995	0.515
Compound_521	C[C@@H]1CC[C@]2([C@@H]([C@H]1C)[C@]1(C)CC[C@H]3C(=CC[C@@H]4[C@]3(C)CC[C@@H](C4(C)C)O)[C@]1(CC2)C)C	0.973	0.791	0.066	0.544	0.931	0.809	0.302	0.969	0.441	0.995	0.515
Compound_522	C[C@@H]1CC[C@]2([C@@H]([C@H]1C)C1=CC[C@H]3[C@@]([C@@]1(CC2)C)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)C(=O)O	0.904	0.876	0.026	0.272	0.947	0.754	0.227	0.957	0.122	0.997	0.036
Compound_523	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_524	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_525	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_526	OC[C@]12C(=O)C[C@]3([C@@]([C@@H]2CC=C2[C@H]1CC[C@@H](C2(C)C)O)(C)C[C@H]([C@@H]3[C@](C(=O)/C=C/C(OC(=O)C)(C)C)(O)C)O)C	0.952	1.0	0.024	0.651	0.953	0.97	0.203	0.511	0.308	0.066	0.111
Compound_527	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_528	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_529	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_530	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)/C=C/C(O)(C)C)(O)C)O)C)C(C1=O)(C)C	0.873	0.95	0.02	0.642	0.905	0.941	0.118	0.792	0.238	0.313	0.248
Compound_531	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)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_532	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_533	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_534	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_535	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_536	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_537	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_538	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_539	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_540	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_541	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_542	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_543	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_544	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_545	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_546	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_547	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_548	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_549	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_550	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_551	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_552	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_553	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_554	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_555	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_556	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_557	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_558	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_559	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_560	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_561	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_562	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_563	COc1ccc2c(c1O)c1c3OCOc3cc3c1[C@H](C2)N(C)CC3	0.302	0.756	0.832	0.319	0.297	0.444	0.032	0.88	0.142	0.334	0.695
Compound_564	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_565	COc1cc2CCN3[C@@H](c2cc1OC)Cc1c(C3)c(OC)c(cc1)OC	0.165	0.788	0.383	0.124	0.035	0.564	0.004	0.004	0.463	0.03	0.459
Compound_566	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_567	COc1cc2CCN3[C@@H](c2cc1OC)[C@@H](C)c1c(C3)c(OC)c(cc1)OC	0.171	0.755	0.311	0.146	0.037	0.581	0.008	0.013	0.452	0.009	0.322
Compound_568	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_569	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_570	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_571	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_572	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_573	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_574	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_575	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_576	COc1c(OC)ccc2c1CN1CCc3c([C@@H]1C2)cc1c(c3)OCO1	0.272	0.779	0.799	0.103	0.044	0.682	0.012	0.009	0.274	0.074	0.852
Compound_577	COc1c(OC)ccc2c1C(=O)O[C@H]2[C@@H]1N(C)CCc2c1cc1OCOc1c2	0.654	0.761	0.935	0.084	0.215	0.522	0.284	0.013	0.268	0.007	0.908
Compound_578	COc1cc2c(cc1OC)C[C@H]1c3c2c(OC)c(OC)cc3CCN1C	0.115	0.794	0.6	0.288	0.082	0.499	0.022	0.34	0.429	0.046	0.248
Compound_579	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_580	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_581	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_582	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_583	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_584	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_585	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_586	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_587	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_588	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_589	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_590	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_591	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_592	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_593	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_594	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_595	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_596	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_597	O[C@H]1C=C[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1O	0.624	0.591	0.09	0.251	0.175	0.158	0.003	0.393	0.042	0.028	0.3
Compound_598	COc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C	0.618	0.647	0.109	0.147	0.171	0.178	0.003	0.389	0.043	0.014	0.282
Compound_599	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_600	COC1=CC=C2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1O	0.688	0.729	0.459	0.351	0.302	0.159	0.009	0.686	0.123	0.01	0.144
Compound_601	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_602	COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@@H]1N(C)CCc2c1c(OC)c1c(c2)OCO1	0.584	0.728	0.935	0.123	0.337	0.655	0.416	0.016	0.306	0.017	0.918
Compound_603	COc1c(OC)ccc2c1C(=O)O[C@@H]2[C@@H]1N(C)CCc2c1c(O)c1c(c2)OCO1	0.655	0.738	0.845	0.211	0.527	0.567	0.376	0.03	0.279	0.04	0.868
Compound_604	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_605	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_606	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_607	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_608	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_609	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_610	COc1cc2CCN(C3C(c2cc1OC)OC(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_611	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_612	COC1=CC=C2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1OC	0.682	0.709	0.449	0.271	0.141	0.265	0.005	0.37	0.151	0.235	0.17
Compound_613	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_614	Oc1ccc(cc1)C[C@@H]1NCCc2c1cc(O)c(c2)O	0.118	0.472	0.049	0.295	0.332	0.238	0.004	0.265	0.375	0.007	0.221
Compound_615	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_616	COc1cc(ccc1OC)C[C@@H]1N(C)CCc2c1cc(OC)c(c2)OC	0.091	0.76	0.157	0.146	0.057	0.613	0.003	0.004	0.198	0.068	0.257
Compound_617	COc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)C4=CC[C@@H]1O)C	0.661	0.789	0.068	0.181	0.12	0.156	0.004	0.535	0.067	0.016	0.109
Compound_618	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_619	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_620	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_621	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_622	CO[C@H]1C=CC2=CCN3[C@]2(C1)c1cc(O)c(cc1CC3)O	0.692	0.773	0.185	0.276	0.168	0.299	0.002	0.84	0.38	0.04	0.198
Compound_623	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_624	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_625	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_626	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_627	COc1cc2c(cc1O)CCN1[C@@]32C[C@@H](O)C=CC3=CC1	0.669	0.731	0.235	0.265	0.054	0.215	0.004	0.762	0.329	0.032	0.118
Compound_628	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_629	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_630	CCC[C@H]1CCCCN1	0.13	0.152	0.022	0.266	0.016	0.074	0.0	0.081	0.796	0.279	0.015
Compound_631	CCC[C@H]1CCCCN1C	0.871	0.347	0.012	0.064	0.023	0.374	0.003	0.166	0.642	0.134	0.056
Compound_632	CC[C@H]([C@@H]1CCCCN1)O	0.032	0.184	0.004	0.189	0.009	0.015	0.0	0.021	0.237	0.365	0.027
Compound_633	CCC[C@H]1CC[C@@H](CN1)O	0.04	0.259	0.004	0.181	0.011	0.012	0.0	0.012	0.365	0.332	0.028
Compound_634	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_635	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_636	CC/C=C\C/C=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_637	COC1=C[C@@H](C)[C@H]2[C@@](C1=O)(C)[C@H]1C(=O)C(=C([C@H]3[C@@]1([C@@H](C2)OC(=O)C3)C)C)OC	0.861	0.689	0.054	0.585	0.7	0.682	0.379	0.974	0.415	0.719	0.961
Compound_638	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_639	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_640	CC/C=C\C/C=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_641	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_642	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_643	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_644	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_645	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_646	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_647	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_648	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_649	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_650	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_651	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_652	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_653	COc1ccc2c3c1O[C@@H]1[C@@]3(CCN(C2)C)C=C[C@@H](C1)O	0.683	0.679	0.79	0.085	0.348	0.459	0.003	0.542	0.058	0.007	0.373
Compound_654	C[C@@H](C[C@@H]1CCCCN1)O	0.043	0.195	0.007	0.193	0.008	0.026	0.0	0.024	0.233	0.008	0.018
Compound_655	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_656	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	0.962	0.859	0.263	0.939	0.389	0.989	0.034
Compound_657	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_658	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_659	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_660	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_661	C[C@@H]1C[C@H]2Cc3c([C@@]4(C1)[C@@H]2CCCN4C)ccc(=O)[nH]3	0.549	0.616	0.002	0.116	0.281	0.431	0.01	0.014	0.436	0.001	0.245
Compound_662	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_663	O[C@H]1C=C2CCN3[C@H]2[C@@H]([C@@H]1O)c1cc2OCOc2cc1C3	0.74	0.729	0.46	0.197	0.176	0.343	0.006	0.157	0.188	0.851	0.292
Compound_664	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_665	C[C@@H]1C[C@H]2CC(=O)[C@]34[C@]2(C(=O)C1)CCCN(C4)CCC3	0.88	0.608	0.061	0.192	0.072	0.263	0.0	0.266	0.397	0.071	0.272
Compound_666	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_667	CN1CCC[C@H]1c1cccnc1	0.058	0.488	0.017	0.134	0.014	0.287	0.001	0.01	0.346	0.002	0.062
Compound_668	C1CN[C@@H](C1)c1cccnc1	0.04	0.278	0.03	0.345	0.015	0.296	0.0	0.026	0.477	0.011	0.03
Compound_669	C1CC[C@H](NC1)c1cccnc1	0.096	0.306	0.03	0.408	0.012	0.525	0.0	0.025	0.629	0.012	0.054
Compound_670	C1=CC[C@H](NC1)c1cccnc1	0.09	0.467	0.054	0.44	0.026	0.519	0.0	0.305	0.607	0.013	0.128
Compound_671	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_672	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_673	COc1ccc2c3c1O[C@@H]1[C@@]3(CCN(C2)C)C=CC(=O)C1	0.66	0.679	0.455	0.162	0.385	0.599	0.009	0.443	0.165	0.007	0.402
Compound_674	O=C1CC[C@H](N1C)c1cccnc1	0.065	0.192	0.049	0.423	0.003	0.143	0.003	0.001	0.369	0.001	0.137
Compound_675	O[C@@H]1CN2[C@@H]([C@@H]1O)[C@H](O)CCC2	0.356	0.39	0.075	0.132	0.023	0.1	0.007	0.016	0.165	0.134	0.041
Compound_676	OC[C@H]1O[C@@H](Oc2c(N)[nH]c(nc2=O)N)[C@@H]([C@H]([C@@H]1O)O)O	0.363	0.486	0.013	0.272	0.19	0.153	0.007	0.158	0.27	0.06	0.475
Compound_677	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_678	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_679	CC(=O)C[C@H]1CCCN1C	0.652	0.423	0.018	0.078	0.011	0.144	0.021	0.02	0.302	0.155	0.412
Compound_680	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_681	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_682	CC(=O)C[C@H]1CCCN1	0.074	0.213	0.016	0.196	0.004	0.021	0.003	0.004	0.386	0.029	0.115
Compound_683	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_684	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_685	C/C=C\1/C[C@@H](C)[C@@](C)(O)C(=O)OC[C@@H]2[C@@H]3[C@H](OC1=O)CCN3CC2	0.375	0.85	0.586	0.234	0.345	0.175	0.098	0.695	0.317	0.232	0.788
Compound_686	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_687	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_688	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_689	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_690	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_691	O[C@H]1C=C[C@]23[C@H](C1)N(C[C@@H]2O)Cc1c3cc2OCOc2c1	0.749	0.599	0.923	0.229	0.255	0.396	0.001	0.369	0.201	0.832	0.596
Compound_692	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	0.691	0.759	0.097	0.343	0.122	0.307	0.026	0.664	0.38	0.409	0.427
Compound_693	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_694	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_695	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_696	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_697	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_698	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_699	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_700	CO[C@H]([C@@](C(O)(C)C)(C(=O)OCC1=CCN2[C@H]1[C@H](CC2)OC(=O)/C(=C\C)/C)O)C	0.5	0.699	0.053	0.155	0.157	0.415	0.1	0.73	0.391	0.129	0.627
Compound_701	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_702	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_703	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_704	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_705	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_706	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_707	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_708	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(=C\C)/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_709	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_710	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_711	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_712	CO[C@H]([C@@](C(O)(C)C)(C(=O)OCC1=CCN2[C@H]1[C@@H](O)CC2)O)C	0.445	0.669	0.043	0.241	0.084	0.167	0.007	0.71	0.247	0.024	0.377
Compound_713	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_714	CO[C@@H]([C@](C(=O)OCC1=CCN2[C@H]1[C@@H](O)CC2)(C(C)C)O)C	0.449	0.669	0.043	0.27	0.091	0.163	0.006	0.704	0.223	0.024	0.408
Compound_715	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_716	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_717	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_718	C/C=C\1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN(CC[C@@H](OC1=O)C2=O)C	0.465	0.769	0.189	0.256	0.222	0.139	0.035	0.644	0.355	0.054	0.227
Compound_719	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_720	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_721	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_722	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_723	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_724	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_725	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_726	C/C=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_727	C/C=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_728	C/C=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_729	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_730	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_731	C/C=C\1/CC(=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_732	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_733	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_734	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_735	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_736	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_737	O=C1/C=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_738	O=C1/C=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_739	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_740	O=C1OCC2=CCN3[C@H]2[C@@H](CC3)OC(=O)[C@@]2(C[C@H]([C@@]1(C)O)C)O[C@H]2C	0.463	0.88	0.127	0.236	0.602	0.245	0.166	0.705	0.254	0.209	0.392
Compound_741	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_742	C/C=C\1/C[C@@]2(CO)O[C@@]2(C)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3	0.519	0.836	0.038	0.212	0.588	0.368	0.03	0.422	0.275	0.023	0.357
Compound_743	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_744	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_745	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_746	C/C=C(\C(=O)O[C@@H]1CCN2[C@@H]1[C@H](CC2)COC(=O)/C(=C\C)/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_747	C/C=C(\C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)/C(=C\C)/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_748	C=C1C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@@H]([C@H]1C)C)(C)O	0.386	0.856	0.035	0.197	0.261	0.18	0.051	0.828	0.274	0.652	0.517
Compound_749	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_750	C/C=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_751	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_752	CN1CC[C@]23[C@]4([C@@H]1Nc1c3cccc1)CCN([C@H]2Nc1c4cccc1)C	0.389	0.639	0.131	0.134	0.805	0.647	0.034	0.085	0.432	0.009	0.185
Compound_753	O[C@@H]1CCN2C1=Nc1ccccc1C2	0.27	0.412	0.29	0.588	0.077	0.244	0.024	0.129	0.502	0.29	0.031
Compound_754	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_755	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_756	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_757	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_758	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_759	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_760	O=C1[C@@H]2C[C@H]([C@H]3N1CCCC3)CN1[C@@H]2CCCC1	0.788	0.501	0.087	0.143	0.201	0.638	0.001	0.105	0.38	0.881	0.173
Compound_761	C/C=C/C=C/C(=O)O	0.704	0.044	0.176	0.324	0.557	0.039	0.991	0.654	0.871	0.832	0.627
Compound_762	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_763	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_764	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_765	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_766	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_767	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_768	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_769	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_770	O=C1[C@@H]2C[C@@H]([C@@H]3N1CCCC3)CN1[C@H]2CCCC1	0.788	0.501	0.087	0.143	0.201	0.638	0.001	0.105	0.38	0.881	0.173
Compound_771	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_772	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_773	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_774	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_775	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_776	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_777	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_778	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_779	C=CC[C@@H]1NC[C@@H]2C[C@H]1CN1[C@@H]2CCCC1=O	0.201	0.467	0.021	0.311	0.04	0.297	0.001	0.069	0.162	0.183	0.183
Compound_780	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_781	O=c1cccc2n1C[C@@H]1CNC[C@H]2C1	0.344	0.564	0.01	0.291	0.191	0.401	0.0	0.05	0.453	0.041	0.317
Compound_782	CN1C[C@@H]2C[C@H](C1)c1n(C2)c(=O)ccc1	0.439	0.614	0.003	0.156	0.283	0.512	0.0	0.012	0.67	0.112	0.246
Compound_783	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_784	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_785	OC[C@@H]1CCCN2[C@@H]1CCCC2	0.561	0.33	0.057	0.097	0.011	0.218	0.001	0.028	0.29	0.305	0.112
Compound_786	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_787	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_788	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_789	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_790	O=C1CCC[C@H]2N1C[C@@H]1CCCN3[C@@H]1[C@@H]2CCC3	0.793	0.556	0.161	0.153	0.197	0.641	0.002	0.1	0.319	0.885	0.215
Compound_791	O=C1C=CC[C@H]2N1C[C@@H]1CCCN3[C@@H]1[C@@H]2CCC3	0.655	0.512	0.509	0.226	0.189	0.57	0.003	0.159	0.672	0.941	0.165
Compound_792	C/C=C/1\[C@H]2C=C(C[C@]1(N)c1c(C2)[nH]c(=O)cc1)C	0.489	0.681	0.045	0.369	0.25	0.658	0.238	0.15	0.558	0.001	0.2
Compound_793	CC1=C[C@H]2Cc3c([C@@]4(C1)[C@@H]2CCCN4)ccc(=O)[nH]3	0.548	0.556	0.01	0.203	0.174	0.255	0.03	0.047	0.456	0.0	0.216
Compound_794	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_795	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_796	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_797	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_798	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_799	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_800	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