Index	SMILES	Probability	Label
Compound_1	OC[C@@]12CC[C@@H](C[C@@]2(O)CC[C@@H]2[C@@H]1CC[C@]1([C@]2(O)CC[C@@H]1C1=CC(=O)OC1)C)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O	0.14	0.0
Compound_2	O=C1OCC(=C1)[C@H]1CCC2([C@]1(C)C[C@@H](O)[C@H]1[C@H]2CC[C@]2([C@]1(C)CC[C@@H](C2)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O	0.08	0.0
Compound_3	OC[C@H]1O[C@@H](O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)O[C@H]2CC[C@]3(C(=C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C=O)[C@@H]([C@H]([C@@H]1O)O)O	0.28	0.0
Compound_4	O=C[C@]12CC[C@@H](C=C1CC[C@@H]1[C@@H]2CC[C@]2([C@]1(O)CC[C@@H]2C1=CC(=O)OC1)C)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O	0.33	0.0
Compound_5	OC[C@H]1O[C@@H](O[C@H]2C[C@@H](O[C@H]3C[C@@H](O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]4[C@@H]5CC[C@]5(C4(O)CC[C@@H]5C4=CC(=O)OC4)C)C)O[C@@H]([C@H]3O[C@@H]3C[C@H](O)[C@@H]([C@H](O3)C)O)C)O[C@@H]([C@H]2O)C)[C@@H]([C@H]([C@@H]1O)O)O	0.13	0.0
Compound_6	OC[C@H]1O[C@@H](O[C@H]2C[C@@H](O[C@H]3C[C@@H](O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]4[C@@H]5CC[C@]5(C4(O)C[C@@H]([C@@H]5C4=CC(=O)OC4)O)C)C)O[C@@H]([C@H]3O[C@@H]3C[C@H](O)[C@@H]([C@H](O3)C)O)C)O[C@@H]([C@H]2O)C)[C@@H]([C@H]([C@@H]1O)O)O	0.13	0.0
Compound_7	COC(=O)C1=C2Nc3c([C@@]42[C@@H]2[C@](C1)(CCCN2CC4)[C@H](O)C)cccc3	0.01	0.0
Compound_8	O=C1OCC(=C1)[C@H]1[C@@H](O)C[C@]2([C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O)O	0.07	0.0
Compound_9	CO[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)[C@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C)O[C@@H]([C@@H]1O)C	0.13	0.0
Compound_10	OC[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.13	0.0
Compound_11	OC[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC([C@@H]3C2=CC(=O)OC2)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.13	0.0
Compound_12	COC(=O)[C@@H]1[C@H]2CC(=O)C34[C@@]1(CCN3C/C/2=C\C)c1ccccc1N4C	0.0	0.0
Compound_13	O=CO[C@H]1C[C@]2([C@]([C@H]1C1=CC(=O)OC1)(C)CC[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O	0.06	0.0
Compound_14	CC(C(=O)O[C@@H]1CC(C)(C)C[C@@H]2[C@]1(CC[C@@]1(C2=CC[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)CCC(=O)C1(C)C)C)C(=O)O)C	0.14	0.0
Compound_15	OC[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2CC[C@]3([C@](C2)(O)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C=O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O	0.13	0.0
Compound_16	O=C[C@@]12CC[C@@H](C[C@@]2(O)CC[C@@H]2[C@@H]1CC[C@]1([C@]2(O)CC[C@@H]1C1=CC(=O)OC1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O	0.16	0.0
Compound_17	O=C[C@@]12CC[C@@H](C[C@@]2(O)CC[C@@H]2[C@@H]1CC[C@]1([C@]2(O)CC[C@@H]1C1=CC(=O)OC1)C)O[C@@H]1O[C@H](C)[C@H]([C@H]([C@H]1O)O)O	0.12	0.0
Compound_18	OC[C@H]1O[C@@H](O[C@H]2[C@@H](C)O[C@H]([C@@H]([C@@H]2O)O)O[C@H]2CC[C@]3([C@](C2)(O)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C=O)[C@@H]([C@H]([C@@H]1O)O)O	0.13	0.0
Compound_19	OCC1OC(OCC(=O)COCCCOC2CCC3(C(C2)(O)CCC2C3CCC3(C2(O)CCC3C2=CC(=O)OC2)C)C=O)C(C(C1O)O)O	0.29	0.0
Compound_20	COC(=O)[C@@H]1[C@H]2CC[C@@]34[C@@]1(CCN3C/C/2=C/C)c1cc(OC)ccc1N4C	0.02	0.0
Compound_21	OC[C@H]1O[C@@H](OC2[C@H](C)OC([C@H]([C@@H]2O)O)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.13	0.0
Compound_22	O=C1OCC(=C1)C1CCC2(C1(C)CCC1C2CCC2C1(C)CCC(C2)OC1OC(COC2C(C)OC(C(C2O)O)O)C(C(C1O)O)O)O	0.11	0.0
Compound_23	OC[C@H]1O[C@H](O[C@H]2[C@H](O[C@H]3CC[C@]4([C@@H](C3)CC[C@@H]3[C@@H]4CC[C@]4(C3(O)CC[C@@H]4C3=CC(=O)OC3)C)C)O[C@H]([C@@H]([C@H]2O[C@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)O)C)[C@@H]([C@H]([C@@H]1O)O)O	0.13	0.0
Compound_24	OC[C@H]1O[C@@H](O[C@H]2[C@H](C)O[C@H]([C@@H]([C@@H]2O)O)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.13	0.0
Compound_25	CO[C@@H]1[C@@H](O)[C@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C)O[C@@H]([C@@H]1O)C	0.15	0.0
Compound_26	CO[C@@H]1C[C@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C)O[C@@H]([C@@H]1O)C	0.19	0.0
Compound_27	CO[C@@H]1C[C@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@]24[C@@H]3CC[C@]3([C@]4(O2)CC[C@@H]3C2=CC(=O)OC2)C)C)O[C@@H]([C@@H]1O)C	0.22	0.0
Compound_28	CO[C@@H]1C[C@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@]24[C@@H]3CC[C@](C4=O)(C)[C@H](CC2)C2=CC(=O)OC2)C)O[C@@H]([C@@H]1O)C	0.15	0.0
Compound_29	CO[C@@H]1[C@@H](O)[C@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)C[C@@H]([C@@H]3C2=CC(=O)OC2)OC(=O)C)C)C)O[C@@H]([C@@H]1O)C	0.15	0.0
Compound_30	O=C1OCC(=C1)[C@H]1CC[C@]2([C@]1(C)C[C@@H](O)[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@@H](C2)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O	0.08	0.0
Compound_31	OC[C@H]1O[C@@H](O[C@H]2[C@@H](C)O[C@H]([C@@H]([C@@H]2O)O)O[C@H]2CC[C@]3([C@@H](C2)CC[C@H]2[C@@H]3[C@H](O)C[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.13	0.0
Compound_32	O=C[C@@]12CC[C@@H](C[C@@]2(O)CCC2C1[C@H](O)C[C@]1([C@]2(O)CC[C@@H]1C1=CC(=O)OC1)C)O[C@H]1OC(C)[C@H](C(C1O)O)O	0.12	0.0
Compound_33	O=C1O[C@@H]2C[C@H]3C(=C[C@@H]([C@H]([C@@]3([C@@H]3[C@@]42[C@@H](C1)[C@@H](C)[C@H]([C@@]3(OC4)O)O)C)O)O)C	0.12	0.0
Compound_34	O=C1O[C@@H]2C[C@H]3C(=CC(=O)[C@H]([C@@]3([C@@H]3[C@@]42[C@@H](C1)[C@@H](C)[C@H]([C@@]3(OC4)O)O)C)O)C	0.13	0.0
Compound_35	O=C[C@@]12CC[C@@H](C[C@@]2(O)CC[C@@H]2[C@@H]1CC[C@]1([C@]2(O)CC[C@@H]1C1=CC(=O)OC1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O	0.12	0.0
Compound_36	CO[C@H]1[C@H](O)[C@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C=O)O[C@H]([C@@H]1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O)C	0.04	0.0
Compound_37	CO[C@H]1[C@H](O)[C@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C)O[C@H]([C@@H]1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O)C	0.13	0.0
Compound_38	CO[C@H]1[C@H](O)[C@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]34[C@]2(O)CC[C@@H]4[C@@]2(OC3)COC(=O)C2)C)O[C@H]([C@@H]1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O)C	0.2	0.0
Compound_39	CCC=S=O	0.9	1.0
Compound_40	C/C=C/SS(=O)/C=C/C	0.85	1.0
Compound_41	CCCS(=O)S/C=C/C	0.76	1.0
Compound_42	CCCSS(=O)/C=C/C	0.86	1.0
Compound_43	CCCSS(=O)C	0.93	1.0
Compound_44	CSS(=O)C	0.95	1.0
Compound_45	C/C=C/S(=O)SC	0.87	1.0
Compound_46	C/C=C/SS(=O)C	0.87	1.0
Compound_47	CCCSS(=O)(=O)[O-]	0.17	0.0
Compound_48	C/C=C/SS(=O)(=O)O	0.14	0.0
Compound_49	CC=CSS(=O)(=O)O	0.14	0.0
Compound_50	C=CCSS(=O)(=O)O	0.11	0.0
Compound_51	C=CCSS(=O)/C=C/C	0.77	1.0
Compound_52	C=CCS(=O)S/C=C/C	0.83	1.0
Compound_53	CSS(=O)CC=C	0.64	1.0
Compound_54	C=CCOS(=O)(=O)SCC=C	0.47	0.0
Compound_55	O[C@@H]1[C@@H]2OC(=O)C3=C2[C@@H]([C@]2([C@@H]1C)C[C@H](OC2=O)c1cocc1)CCC3	0.25	0.0
Compound_56	O=C1O[C@H]2C3=C1CCC[C@@H]3[C@]1([C@@H](C2)C)C[C@H](OC1=O)c1cocc1	0.42	0.0
Compound_57	O[C@H]1CC[C@@H]2C3=C1C(=O)O[C@@H]3C[C@H]([C@@]12C[C@H](OC1=O)c1cocc1)C	0.56	1.0
Compound_58	O=C1O[C@H]2C3=C1CCC[C@H]3[C@]1([C@@H](C2)C)C[C@H](OC1=O)c1cocc1	0.42	0.0
Compound_59	C[C@@H]1C[C@@H](O)[C@@]23[C@@H]([C@]41C[C@H](OC4=O)c1ccoc1)C[C@H]1[C@@H]([C@@]3(O)C(=O)OC2)O1	0.25	0.0
Compound_60	OC[C@]12O[C@H]1[C@H]1[C@H]3O[C@]4(O[C@]1([C@H]1[C@@]([C@@H]2O)(O)C(=O)C(=C1)C)[C@@H](C[C@@]3(O4)C(=C)C)C)c1ccccc1	0.47	0.0
Compound_61	CCC/C=C/C=C/C=C/C(=O)O[C@@H]1[C@@H](C)[C@@]23OC4(O[C@]1(C(=C)C)[C@@H]([C@@H]2[C@@H]1O[C@@]1([C@H]([C@]1([C@H]3C=C(C1=O)C)O)O)CO)O4)c1ccccc1	0.49	0.0
Compound_62	COc1ccc2c(c1)NC(=O)[C@@]12CCN2[C@@H]1C[C@H]1[C@@H](C2)[C@H](C)OC=C1C(=O)OC	0.02	0.0
Compound_63	OCC1=C[C@H]2[C@H]3[C@H](C3(C)C)C[C@H]([C@]3([C@@]([C@@H]1O)(O)[C@@H](O)C(=C3)C)C2=O)C	0.16	0.0
Compound_64	O=C(c1ccccc1)OCC1=C[C@H]2[C@H]3[C@H](C3(C)C)C[C@H]([C@]3([C@@]([C@@H]1O)(O)[C@@H](OC(=O)c1ccccc1)C(=C3)C)C2=O)C	0.35	0.0
Compound_65	CCCCCCCCCCCC(=O)O[C@H]1C(=C[C@]23[C@]1(O)[C@H](O)C(=C[C@@](C3=O)(C)[C@]1([C@](C[C@H]2C)(C)C1(C)C)C)CO)C	0.12	0.0
Compound_66	OCC1=C[C@@H]2C(=O)[C@@]3([C@@]([C@@H]1O)(O)[C@@H](O)C(=C3)C)[C@@H](C[C@@]1([C@H]2C1(C)C)O)C	0.21	0.0
Compound_67	CCCCCCCCCCCC(=O)O[C@@]12C[C@@H](C)[C@]34C(=O)[C@H]([C@@H]1C2(C)C)C=C([C@H]([C@]4(O)[C@H](C(=C3)C)OC(=O)C(C(C)C)C)O)CO	0.12	0.0
Compound_68	CC1=C[C@H]2[C@H]3[C@H](C3(C)C)C[C@H]([C@]3([C@@]([C@@H]1O)(O)[C@@H](O)C(=C3)C)C2=O)C	0.34	0.0
Compound_69	CC(=O)O[C@H]1[C@@H](C)C=CC(C)(C)[C@H](OC(=O)C)C[C@H](/C(=C\[C@@H]2[C@]1(O)C[C@@H]([C@@H]2OC(=O)c1ccccc1)C)/C)OC(=O)C	0.35	0.0
Compound_70	C=C1CC[C@H]2[C@H](C2(C)C)/C=C(/C(=O)[C@@]2([C@@H]([C@H]1O)[C@@H](O)[C@H](C2)C)O)\C	0.24	0.0
Compound_71	O=C1O[C@H]2[C@H]3[C@]1(C)CCC[C@]3(C)[C@]1([C@@H](C2)C)CC[C@]2(O1)COC=C2	0.45	0.0
Compound_72	C[C@@H]1C[C@H]2OC(=O)[C@@]3([C@H]2[C@]([C@@]1(O)CCc1cocc1)(C)CCC3)C	0.26	0.0
Compound_73	OC[C@@]1(C)CCC[C@]2([C@H]1[C@H](O)C[C@H]([C@]2(O)CCc1cocc1)C)C	0.29	0.0
Compound_74	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@@H]3[C@]([C@H]2[C@@H]([C@]2(C(C1=C(C)[C@@H](O)C2)(C)C)O)OC(=O)c1ccccc1)(CO3)OC(=O)C	0.51	1.0
Compound_75	OC[C@]12[C@@H](O)C[C@@H]3[C@]([C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(C(C(=C(C)[C@H](C2)O)[C@H](C1=O)OC(=O)C)(C)C)O)(CO3)OC(=O)C	0.48	0.0
Compound_76	CC(=O)O[C@H]1C[C@@H]2[C@@H](OC(=O)C)[C@@H]3[C@@]4(CO4)[C@@H](OC(=O)C)C[C@@H]([C@]3([C@H]([C@@H](C(=C1C)C2(C)C)OC(=O)C)OC(=O)C)C)OC(=O)C	0.31	0.0
Compound_77	CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)C)[C@@H]3[C@@]4(CO[C@@H]4C[C@@H]([C@]3([C@H]([C@@H](C(=C1C)C2(C)C)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C	0.42	0.0
Compound_78	CC(=O)O[C@H]1CC[C@@]2([C@@H](C1=C)C[C@@H]1C[C@@H](C(=C([C@H]([C@@H]2OC(=O)C)OC(=O)C)C1(C)C)C)OC(=O)C)C	0.4	0.0
Compound_79	CN1CC[C@]2([C@@H]1Nc1c2cccc1)[C@]12CCN([C@H]1N(c1c2cccc1)C)C	0.01	0.0
Compound_80	CC(=O)O[C@H]1[C@@H]2C(=C)[C@H](CC[C@@]2(C)[C@@H](OC(=O)C)[C@@H](C2=C(C(=O)C[C@@H]1C2(C)C)C)OC(=O)C)OC(=O)/C=C/c1ccccc1	0.31	0.0
Compound_81	CC(=O)O[C@H]1C[C@H](OC(=O)/C=C/c2ccccc2)C(=C)[C@@H]2[C@]1(C)[C@@H](OC(=O)C)[C@H](OC(=O)C)C1=C(C(=O)C[C@@H]([C@H]2OC(=O)C)C1(C)C)C	0.3	0.0
Compound_82	CC(=O)O[C@H]1C[C@H](O)C(=C)[C@@H]2[C@]1(C)[C@@H](OC(=O)C)[C@H](OC(=O)c1ccccc1)C1=C(C)[C@H](C[C@]1([C@H]2OC(=O)C)C(O)(C)C)O	0.53	1.0
Compound_83	O=C(O[C@H]1C[C@H](OC(=O)C)[C@@]2([C@@H](C1=C)[C@H](OC(=O)C)[C@@H]1CC(=O)[C@@]3([C@]([C@H]([C@@H]2OC(=O)C)OC(=O)C)([C@@]1(C)CO3)O)C)COC(=O)c1ccccc1)/C=C/c1ccccc1	0.6	1.0
Compound_84	CC(=O)O[C@H]1C[C@H](OC(=O)/C=C/c2ccccc2)C(=C)[C@@H]2[C@]1(C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@]1([C@@]3([C@H]([C@H]2OC(=O)C)CC(=O)[C@@]1(C)OC3)C)O	0.6	1.0
Compound_85	O=C(C[C@H](c1ccccc1)N(C)C)O[C@H]1CC[C@@]2([C@@H](C1=C)[C@H](O)[C@]1(O)CC(=O)C(=C([C@H]([C@@H]2OC(=O)C)O)C1(C)C)C)C	0.05	0.0
Compound_86	CC(=O)O[C@H]1C=C2C[C@@](C)([C@H](C[C@@H]2OC(=O)[C@@H]([C@H](c2ccccc2)N(C)C)O)O)C(=O)[C@@H](C2=C([C@H](C[C@@H]1C2(C)C)OC(=O)C)C)O	0.05	0.0
Compound_87	C/C=C(\C(=O)O[C@@H]1CC(C)(C)C[C@@H]2[C@]1(CC[C@@]1(C2=CC[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)CC[C@@H](C1(C)C)O)C)C(=O)O)/C	0.09	0.0
Compound_88	COc1cc2c3C[C@@H]4CCCN4Cc3c3c(c2cc1OC)cc(c(c3)OC)OC	0.03	0.0
Compound_89	CC(=O)O[C@@]12CO[C@@H]1C[C@@H]([C@@]1([C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@@H]([C@H](c3ccccc3)NC(=O)c3ccccc3)O)C(=C(C2(C)C)[C@H](C1=O)O)C)C)O	0.17	0.0
Compound_90	C/C=C(/C(=O)N[C@H]([C@H](C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@@H]([C@]3(C(=O)[C@@H](C(=C1C)C2(C)C)O)C)O)OC(=O)C)O)c1ccccc1)\C	0.2	0.0
Compound_91	O=C(C[C@H](c1ccccc1)N(C)C)O[C@H]1CC[C@@]2([C@@H](C1=C)[C@H](OC(=O)C)[C@]1(O)CC(=O)C(=C([C@H]([C@@H]2OC(=O)C)OC(=O)C)C1(C)C)C)C	0.06	0.0
Compound_92	O=C(C[C@H](c1ccccc1)N(C)C)O[C@H]1CC[C@@]2([C@@H](C1=C)[C@H](OC(=O)C)[C@@H]1CC(=O)C(=C([C@H]([C@@H]2OC(=O)C)OC(=O)C)C1(C)C)C)C	0.15	0.0
Compound_93	OCC=C(CC[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@]2(C)C(=O)O)C	0.09	0.0
Compound_94	COc1ccc2c(c1O)c1c(O)c(OC)cc3c1[C@H](C2)[N+](C)(C)CC3	0.05	0.0
Compound_95	OC[C@H]1O[C@@H](O[C@@H]2CC(C(=O)[O-])(C(=O)[O-])[C@@H]3[C@](C2)(C)[C@@H]2CC[C@@H]4C[C@@]2(CC3)[C@@H](O)C4=C)[C@@H]([C@H]([C@@H]1OS(=O)(=O)O)OS(=O)(=O)O)OC(=O)CC(C)C	0.11	0.0
Compound_96	CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@@H](O)[C@]1([C@H]([C@]3(C)O)C[C@@H](C1(C)C)O)O)C[C@@]2(C)O	0.22	0.0
Compound_97	CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@@H](O)[C@]1([C@H](C3=C)C[C@@H](C1(C)C)O)O)C[C@@]2(C)O	0.3	0.0
Compound_98	O[C@@H]1CC23C[C@@](C([C@@H]2O)CC[C@H]3[C@@]([C@H]2[C@@]1(O)C(C)(C)C(=O)C2)(C)O)(C)O	0.23	0.0
Compound_99	CC1=CC23[C@H](C1CC[C@H]3[C@@](C)(O)[C@H]1[C@@]([C@@H](C2)O)(O)C(C)(C)[C@H](C1)O)O	0.06	0.0
Compound_100	C=C1[C@@H]2CCC3[C@@H](C2(CC3=C)C[C@H]([C@]2([C@H]1C[C@@H](C2(C)C)O)O)O)O	0.23	0.0
Compound_101	CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@@]1(C=C2C)C[C@@H](O)[C@]1([C@H](C3=C)C[C@@H](C1(C)C)O)O	0.19	0.0
Compound_102	C=C1[C@@H]2CC[C@@H]3C[C@@]2(C[C@H]([C@]2([C@H]1C[C@@H](C2(C)C)O)O)O)C[C@@]3(C)O	0.09	0.0
Compound_103	CC(=O)O[C@@H]1[C@@H](O)[C@@]2(O)[C@H]([C@]([C@H]3[C@@]41C[C@H]([C@](C4)(C)O)CC3)(C)O)[C@H]1[C@@H](C2(C)C)O1	0.25	0.0
Compound_104	O[C@@H]1[C@H]2CC[C@@H]3[C@@]1(C[C@@]2(C)O)[C@H](O)[C@@H](O)[C@]1([C@H]([C@]3(C)O)C[C@@H](C1(C)C)O)O	0.37	0.0
Compound_105	C=C1[C@@H]2CC[C@@H]3[C@H]([C@]2(C[C@@]3(C)O)[C@@H]([C@H]([C@]2([C@H]1C[C@@H](C2(C)C)O)O)O)O)O	0.09	0.0
Compound_106	CC(=O)O[C@@H]1[C@@H](O)[C@@]23C[C@@]([C@@H]([C@H]2O)CC[C@H]3[C@@]([C@H]2[C@@]1(O)C(C)(C)[C@H](C2)O)(C)O)(C)O	0.27	0.0
Compound_107	CC(=O)O[C@@H]1[C@@H](O)[C@@]23C[C@@]([C@@H]([C@H]2O)CC[C@H]3[C@@]([C@H]2[C@@]1(O)C(C)(C)[C@@H]1[C@H]2O1)(C)O)(C)O	0.5	0.0
Compound_108	CC(=O)O[C@@H]1[C@@H](OC(=O)C)[C@@]2(O)[C@H]([C@]([C@H]3[C@]41C[C@@]([C@@H]([C@H]4O)CC3)(C)O)(C)O)[C@H]1[C@@H](C2(C)C)O1	0.46	0.0
Compound_109	CC(=O)O[C@@H]1[C@@H](O)[C@@]2(O)[C@H]([C@]([C@H]3[C@]41C[C@@]([C@@H]([C@H]4OC(=O)C)CC3)(C)O)(C)O)[C@H]([C@@H](C2(C)C)O)O	0.15	0.0
Compound_110	O[C@H]1C[C@@H]2[C@](C1(C)C)(O)[C@H](O)C[C@]1([C@H]3[C@H]([C@@]2(C)O)CC[C@@H]3[C@](C1)(C)O)O	0.14	0.0
Compound_111	CC1=C2CC[C@@H]3[C@H]([C@@]2(C[C@H]([C@]2([C@H]1C[C@@H](C2(C)C)O)O)O)C[C@@]3(C)O)O	0.07	0.0
Compound_112	CCC(=O)OC1[C@H]2CC[C@@H]3[C@]1(C[C@@H](O)[C@]1([C@H]([C@]3(C)O)C[C@@H](C1(C)C)O)O)C[C@@]2(C)O	0.23	0.0
Compound_113	CCC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@@H](O)[C@]1([C@H](C3=C)C[C@@H](C1(C)C)O)O)C[C@@]2(C)O	0.36	0.0
Compound_114	CC(C(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@@H](O)[C@@]1([C@H]([C@@]3(C)O)[C@H]3[C@@H](C1(C)C)O3)O)C[C@@]2(C)O)O	0.37	0.0
Compound_115	CCC(=O)O[C@@H]1[C@@H](O)[C@@]23C[C@@]([C@@H]([C@H]2O)CC[C@H]3[C@@]([C@H]2[C@@]1(O)C(C)(C)[C@H](C2)O)(C)O)(C)O	0.3	0.0
Compound_116	CCC(=O)O[C@@H]1[C@@H](OC(=O)C)[C@@]2(O)[C@H]([C@]([C@H]3[C@]41C[C@@]([C@@H]([C@H]4O)CC3)(C)O)(C)O)C[C@@H](C2(C)C)O	0.52	1.0
Compound_117	CCC(=O)O[C@@H]1[C@@H](O)[C@@]2(O)[C@H]([C@]([C@H]3[C@]41C[C@@]([C@@H]([C@H]4O)CC3)(C)O)(C)O)C[C@@H](C2(C)C)O	0.23	0.0
Compound_118	CCC(=O)O[C@@H]1[C@H]2CC[C@@]3([C@@]1(C[C@@]2(C)O)[C@H](OC(=O)C)[C@@H](O)[C@]1([C@H]([C@]3(C)O)[C@H]2[C@@H](C1(C)C)O2)O)O	0.24	0.0
Compound_119	CCC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@@]1(C[C@@]2(C)O)[C@H](O)[C@@H](OC(=O)C)[C@]1([C@H]([C@]3(C)O)C[C@@H](C1(C)C)O)O	0.45	0.0
Compound_120	CCC(=O)O[C@@H]1[C@@H](OC(=O)C)[C@@]2(O)[C@H](C(=C)[C@H]3[C@]41C[C@@]([C@@H]([C@H]4O)CC3)(C)O)C[C@@H](C2(C)C)O	0.29	0.0
Compound_121	CCC(=O)O[C@@H]1C2CCC3C1(C[C@@]2(C)O)[C@H](O)[C@@H](OC(=O)C)[C@]1([C@H]([C@]3(C)O)C[C@@H](C1(C)C)O)O	0.45	0.0
Compound_122	CC(=O)O[C@@H]1[C@@H](O)[C@@]23C[C@@]([C@@H]([C@H]2O)CC[C@]3([C@@]([C@H]2[C@@]1(O)C(C)(C)[C@@H]1[C@H]2O1)(C)O)O)(C)O	0.54	1.0
Compound_123	CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@@H](OC(=O)C)[C@]1([C@H]([C@]3(C)O)[C@H]3[C@@H](C1(C)C)O3)O)C[C@@]2(C)O	0.49	0.0
Compound_124	CC(=O)O[C@@H]1C[C@@]23C[C@@]([C@@H]([C@H]2O)CC[C@H]3[C@@]([C@H]2[C@@]1(O)C(C)(C)[C@@H]1[C@H]2O1)(C)O)(C)O	0.5	0.0
Compound_125	CC(=O)O[C@@H]1C[C@@]23C[C@@]([C@@H]([C@H]2OC(=O)C)CC[C@H]3[C@@]([C@H]2[C@@]1(O)C(C)(C)[C@H](C2)O)(C)O)(C)O	0.51	1.0
Compound_126	CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@@H](O)[C@]1([C@H]([C@]3(C)O)[C@H]3[C@@H](C1(C)C)O3)O)C[C@@]2(C)O	0.35	0.0
Compound_127	O[C@@H]1[C@H]2[C@](C)(O)[C@@H]3CC[C@@H]4[C@H]([C@@]3(C[C@H]([C@@]2(C([C@H]1O)(C)C)O)O)C[C@@]4(C)O)O	0.33	0.0
Compound_128	CC(=O)O[C@@H]1C[C@@]23C[C@@]([C@@H]([C@H]2OC(=O)C)CC[C@H]3[C@@]([C@H]2[C@@]1(O)C(C)(C)[C@H]([C@@H]2O)O)(C)O)(C)O	0.38	0.0
Compound_129	CO[C@@H]1[C@H](O)C([C@@]2([C@@H]1C(=C)[C@@H]1CC[C@@H]3[C@H]([C@@]1(C[C@H]2O)C[C@@]3(C)O)O)O)(C)C	0.18	0.0
Compound_130	OCCC(=C)C(=O)OC[C@H]1O[C@@H](OC(=O)C(=C)CCO)[C@@H]([C@H]([C@@H]1O)O)O	0.63	1.0
Compound_131	CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@@H](O)[C@]1([C@H](C3=C)[C@@H]([C@@H](C1(C)C)O)O)O)C[C@@]2(C)O	0.29	0.0
Compound_132	C=C1[C@@H]2CC[C@@H]3[C@H]([C@@]2(C[C@H]([C@]2([C@H]1[C@H](O)[C@@H](C2(C)C)O)O)O)C[C@@]3(C)O)O	0.09	0.0
Compound_133	C=C1[C@@H]2CC[C@@H]3[C@H]([C@]2(C=C3C)C[C@H]([C@]2([C@H]1C[C@@H](C2(C)C)O)O)O)O	0.09	0.0
Compound_134	COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](OCCc3ccc(cc3)O)[C@@H]([C@H]([C@@H]2O)O)O)ccc1O	0.76	1.0
Compound_135	OC[C@H]1O[C@@H](O[C@H]2C[C@@H]3[C@](C2(C)C)(O)[C@H](O)C[C@]24[C@H](C3=C)CC[C@H](C2)[C@](C4)(C)O)[C@@H]([C@H]([C@@H]1O)O)O	0.3	0.0
Compound_136	O=C(OC[C@]12O[C@H]1[C@H]([C@H]1[C@@H]2[C@H](O)OC=C1)O)C=Cc1ccccc1	0.71	1.0
Compound_137	OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@@H]3[C@H]2[C@@]2(COC(=O)/C=C/c4ccccc4)O[C@H]2[C@H]3O)[C@@H]([C@H]([C@@H]1O)O)O	0.59	1.0
Compound_138	OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@@H]3[C@H]2[C@@]2(COC(=O)C=Cc4ccccc4)O[C@H]2[C@H]3O)[C@@H]([C@H]([C@@H]1O)O)O	0.59	1.0
Compound_139	COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(O)c(cc1)OC	0.02	0.0
Compound_140	C=CC1(C)OC1CC=C(C)C	0.77	1.0
Compound_141	C=CC(C(=C)C)/C=C(/CO)\C	0.55	1.0
Compound_142	C=CC(C(=C)C)/C=C(/COC(=O)C)\C	0.88	1.0
Compound_143	C=C/C(=C/CCC(=C)C)/C	0.49	0.0
Compound_144	CC1=C[C@@H]2[C@@H](CC1)[C@](C)(O)CC[C@H]2C(C)C	0.07	0.0
Compound_145	CC(=O)O[C@@H]1[C@@H]2CC=C([C@H]1C2(C)C)C	0.68	1.0
Compound_146	OC1C=C2C(C1)OC(=O)C=C2	0.8	1.0
Compound_147	CC([C@@]12CC[C@@]3([C@H]([C@H]2O1)O3)C)C	0.87	1.0
Compound_148	COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c2OCOc2cc1	0.08	0.0
Compound_149	C1Oc2c(O1)cc1c(c2)ccc2c1ncc1c2ccc2c1OCO2	0.93	1.0
Compound_150	C=C1CC[C@@]2([C@H]1C2)C(C)C	0.89	1.0
Compound_151	CC(=O)OC1CC2(C(C1C)C2)C(C)C	0.88	1.0
Compound_152	CC1=CC(=O)C2(C1C2)C(C)C	0.97	1.0
Compound_153	OC[C@H]1O[C@@H](O[C@@]23C[C@@H]4[C@@]3(COC(=O)c3ccccc3)C(=O)O[C@@]2(C)C[C@H]4O)[C@@H]([C@H]([C@@H]1O)O)O	0.15	0.0
Compound_154	OC[C@H]1O[C@@H](O[C@@]23C[C@@H]4[C@@]3(COC(=O)c3ccc(cc3)O)[C@@H]3O[C@@]2(C)C[C@]4(O3)O)[C@@H]([C@H]([C@@H]1O)O)O	0.43	0.0
Compound_155	O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)COC(=O)c1ccccc1)O[C@@]12C[C@@H]3[C@@]2(COC(=O)c2ccccc2)[C@@H]2O[C@@]1(C)C[C@]3(O2)O	0.2	0.0
Compound_156	O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)COC(=O)c1ccccc1)O[C@@]12C[C@@H]3[C@@]2(COC(=O)c2ccc(cc2)O)[C@@H]2O[C@@]1(C)C[C@]3(O2)O	0.36	0.0
Compound_157	O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)COC(=O)c1cc(O)c(c(c1)O)O)O[C@]12C[C@H]3[C@@]2(COC(=O)c2ccccc2)[C@@H]2O[C@@]1(C)C[C@]3(O2)O	0.34	0.0
Compound_158	O=C(c1ccccc1)OC[C@H]1[C@H]2O[C@@]3([C@](O2)(C[C@H]1C(=O)C3)O)C	0.46	0.0
Compound_159	CCC(CC(=O)O[C@H]1C=C2C(=CO[C@H]([C@@H]2C[C@@]21OC2)OC(=O)CC(C)C)COC(=O)C)C	0.56	1.0
Compound_160	CC(CC(=O)O[C@@H]1OC=C([C@@]2([C@H]1[C@@]1(CO1)[C@H](C2)OC(=O)C)O)COC(=O)C(C(C)C)OC(=O)CC(C)C)C	0.19	0.0
Compound_161	OCCC(=C)C(=O)OC[C@H]1O[C@@H](O)[C@@H]([C@H]([C@@H]1O)O)O	0.68	1.0
Compound_162	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@H]3[C@H]2[C@](O)(C=C3)COC(=O)/C=C/c2ccc(cc2)O)C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O	0.73	1.0
Compound_163	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@]3([C@H]2[C@@](C)(O)[C@H](C3)OC(=O)/C=C/c2ccccc2)O)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O	0.56	1.0
Compound_164	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@]3([C@H]2[C@@](C)(O)[C@H](C3)OC(=O)/C=C/c2ccc(cc2)OC)O)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O	0.43	0.0
Compound_165	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@H]3[C@H]2[C@@](C)(O)CC3)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O	0.55	1.0
Compound_166	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@H]3[C@H]2[C@@](C)(O)CC3)C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O	0.76	1.0
Compound_167	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@H]3[C@H]2[C@H](C)[C@H](C3)O)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O	0.76	1.0
Compound_168	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@]3([C@H]2[C@@](C)(O)CC3)O)C=O)[C@@H]([C@H]([C@@H]1O)O)O	0.64	1.0
Compound_169	OCC1=C[C@H]([C@]2([C@@H]1[C@@H](OC=C2)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O	0.59	1.0
Compound_170	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@]3([C@H]2[C@H](C)CC3)O)C=O)[C@@H]([C@H]([C@@H]1O)O)O	0.61	1.0
Compound_171	O=CC1=CO[C@H]([C@H]2[C@@H]1CC[C@H]2C)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.78	1.0
Compound_172	OC[C@H]1O[C@@H](OCC2=CO[C@H]([C@H]3[C@@H]2CC(=O)[C@@H]3C)OC(=O)CC(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.17	0.0
Compound_173	OC[C@H]1O[C@@H](OCC2=CO[C@H]3[C@@H]([C@@H]2CC(=O)O3)C=C)[C@@H]([C@H]([C@@H]1O)O)O	0.84	1.0
Compound_174	OC[C@H]1O[C@@H](OCC2=CO[C@H]([C@H]3[C@@H]2C[C@@H]([C@@H]3C)O)OC(=O)CC(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.15	0.0
Compound_175	OCC1O[C@@H](OCC2=CO[C@H]([C@H]3[C@@H]2CC(=O)[C@@H]3C)OC(=O)CC(C)C)[C@H](C([C@@H]1OC1OCC(C1O)(O)CO)O)O	0.1	0.0
Compound_176	O=CC[C@H]1[C@@H](OC=C([C@H]1CC(=O)OCCc1ccc(c(c1)O)O)C(=O)OC)O[C@@H]1OC(CO)[C@H](C([C@@H]1O)O)O	0.41	0.0
Compound_177	O=CC[C@H]1[C@@H](OC=C([C@H]1CC(=O)OCCc1ccc(cc1)O)C(=O)OC)O[C@@H]1OC(CO)[C@H](C([C@@H]1O)O)O	0.55	1.0
Compound_178	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@H](/C/2=C\C)CC(=O)OCCc2ccc(cc2)O)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O	0.6	1.0
Compound_179	O=C1C[C@@]2(CC=C1C)[C@@H](C)CC[C@H]2C(C)C	0.74	1.0
Compound_180	C/C/1=C/CCC(=CC(=O)[C@@H](CC1)C(C)C)C	0.11	0.0
Compound_181	CC(=O)O[C@H]1C(=O)C(=CCCC(=C)[C@@H]2[C@@H]1C(C2)(C)C)C	0.29	0.0
Compound_182	C=C1CC/C=C(\C(=O)[C@@H]([C@@H]2[C@@H]1CC2(C)C)O)/C	0.14	0.0
Compound_183	C=C1CCC=C(C(=O)C[C@@H]2[C@@H]1CC2(C)C)C	0.74	1.0
Compound_184	C=C1CC/C=C(\C(=O)C[C@@H]2[C@@H]1CC2(C)C)/C	0.74	1.0
Compound_185	OC[C@H]1O[C@@H](O[C@@]23C=C(C)C4([C@@]([C@H]3C(=O)C(C2)(C)C)(C)O)CC4)[C@@H]([C@H]([C@@H]1O)O)O	0.24	0.0
Compound_186	C/C=C(/C(=O)O[C@]1(C)[C@H](O)C[C@@H]2[C@@H](C3C41OO[C@]3(C=C4)C)OC(=O)C2=C)\C	0.46	0.0
Compound_187	C/C(=C\CC1COC(=O)C1=C)/CC(=O)C=C(C)C	0.39	0.0
Compound_188	C=C1C(=O)O[C@H]2[C@@H]1C[C@]1(C)C(=O)CC[C@]1([C@H](C2)C)O	0.29	0.0
Compound_189	OC/C/1=C\[C@@H](O)[C@H]2[C@H](CC(=CCC1)C)OC(=O)C2=C	0.78	1.0
Compound_190	O=C1C=C[C@@]23[C@](O1)(C)[C@@H]1OC(=O)C(=C)[C@@H]1CC[C@]3(O2)C	0.74	1.0
Compound_191	OC/C/1=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@H](CC(=CCC1)C)OC(=O)C(CO)C	0.26	0.0
Compound_192	CCC(C(=O)O[C@H]1[C@H]2[C@@H](C[C@H]([C@H]3[C@@]1(C)C(=O)C=C3)C)OC(=O)C2=C)C	0.75	1.0
Compound_193	CC(CC(=O)O[C@H]1[C@H]2[C@@H](C[C@H]([C@H]3[C@@]1(C)C(=O)C=C3)C)OC(=O)[C@H]2C)C	0.62	1.0
Compound_194	C/C=C(/C(=O)O[C@H]1[C@H]2[C@@H](C[C@H]([C@H]3[C@@]1(C)C(=O)C=C3)C)OC(=O)[C@H]2C)\C	0.42	0.0
Compound_195	C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@]([C@H]1C2=C(C)[C@H]2[C@@H]1[C@@H]1[C@@H]3[C@]2(C(=C1)C)[C@H]1OC(=O)[C@H]([C@@H]1CC[C@]3(C)O)C)(C)O	0.38	0.0
Compound_196	C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@]([C@H]1C2=C(C)[C@H]2[C@@H]1[C@@H]1[C@@H]3[C@@]42[C@H]2OC(=O)[C@H]([C@@H]2CC[C@@]3(O[C@@]4([C@@H]1O)C)C)C)(C)O	0.83	1.0
Compound_197	C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@]([C@H]1C2=C(C)[C@H]2[C@@H]1[C@@H]1[C@@H]3[C@@]42[C@H]2OC(=O)[C@H]([C@@H]2CC[C@@]3(O[C@]4(C1)C)C)C)(C)O	0.34	0.0
Compound_198	C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@](C1=C2[C@@](C)(O)CC1=O)(C)O	0.25	0.0
Compound_199	C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@](C1=C2[C@](C)(O)CC1=O)(C)O	0.25	0.0
Compound_200	CC1=CC[C@H](O)C(=C[C@@H]2[C@@H](CC1)[C@@H](C)C(=O)O2)C	0.07	0.0
Compound_201	CC1=CCC(=O)[C@@H](C)C[C@@H]2[C@@H](CC1)[C@@H](C)C(=O)O2	0.19	0.0
Compound_202	C/C/1=C\C[C@@H](O)[C@H](C[C@@H]2[C@@H](CC1)[C@@H](C)C(=O)O2)C	0.14	0.0
Compound_203	C[C@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1([C@@H]2[C@H](C)C(=O)C[C@H]1O)C	0.22	0.0
Compound_204	CC1=C[C@H]2OC(=O)C(=C)[C@@H]2CCC(=C)[C@@H](CC1)O	0.59	1.0
Compound_205	OO[C@@H]1CCC(=C[C@@H]2[C@@H](CCC1=C)C(=C)C(=O)O2)C	0.39	0.0
Compound_206	C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1([C@@H]2[C@](C)(O)C=CC1=O)C	0.33	0.0
Compound_207	OCC(=C)C(=O)O[C@H]1CC(=C)[C@H]2[C@@H]([C@@H]3[C@@H]1C(=C)C(=O)O3)C(=C)[C@H](C2)O	0.85	1.0
Compound_208	OCC(=C)C(=O)O[C@H]1CC(=C)[C@H]2[C@@H]([C@@H]3[C@@H]1C(=C)C(=O)O3)C(=C)C(=O)C2	0.91	1.0
Compound_209	C[C@@H]1C(=O)C[C@@H]2[C@H]1[C@H]1OC(=O)C(=C)[C@@H]1[C@H](CC2=C)O	0.79	1.0
Compound_210	OC[C@@]1(O)C(=O)O[C@H]2[C@H]1CCC(=C)[C@H]1[C@@H]2[C@H](C)[C@H](C1)O	0.39	0.0
Compound_211	OCC(=CC(=O)O[C@@H]1C/C(=C/CCC(=C[C@@H]2[C@@H]1C(=C)C(=O)O2)C)/C)CO	0.2	0.0
Compound_212	CC1=C[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](C/C(=C/CC1)/C)O	0.48	0.0
Compound_213	CC(=O)O[C@@H]1/C=C(/C)\CCC=C(C[C@H]2[C@H]1C(=C)C(=O)O2)C	0.49	0.0
Compound_214	C=C1CC[C@H]([C@]2([C@H]1[C@H]1OC(=O)C(=C)[C@@H]1CC2)C)O	0.34	0.0
Compound_215	CC1=CC[C@H]([C@]2([C@H]1[C@H]1OC(=O)C(=C)[C@@H]1CC2)C)O	0.33	0.0
Compound_216	OC[C@@H]1C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)/C(=C\C)/C)C[C@@]2([C@@H](C[C@@H]1O)O2)C	0.12	0.0
Compound_217	OC[C@@H]1C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)/C(=C\C)/C)C[C@@]2([C@@H](CC1=O)O2)C	0.12	0.0
Compound_218	C/C=C(\C(=O)O[C@@H]1C[C@]2(C)CC[C@@](O2)(C(=C[C@@H]2[C@@H]1C(=C)C(=O)O2)CO)O)/C	0.17	0.0
Compound_219	C/C=C(\C(=O)O[C@@H]1C[C@@]2(C)O[C@](C[C@@H]2O)(C(=C[C@@H]2[C@@H]1C(=C)C(=O)O2)C)O)/C	0.26	0.0
Compound_220	C/C/1=C/[C@H]2OC(=O)C(=C)[C@@H]2C[C@@H](C(=CCC1)C)O	0.36	0.0
Compound_221	C/C=C(\C(=O)O[C@@H]1C[C@@](C)(O)/C=C/C(=O)C(=C[C@@H]2[C@@H]1C(=C)C(O2)O)CO)/C	0.59	1.0
Compound_222	COc1c(OC)cc2c3c1Oc1cc4c(cc1OC)CCN([C@H]4Cc1ccc(Oc4cc(C[C@H]3N(CC2)C)ccc4OC)cc1)C	0.01	0.0
Compound_223	O=C1O[C@@H]2[C@H](C1=C)CC[C@@H]([C@@]1([C@@]2(C)C(=O)C=C1)O)C	0.61	1.0
Compound_224	OC[C@H]1CC[C@@H]2[C@H]([C@]3([C@H]1CC[C@@H]3OC(=O)C)C)OC(=O)C2=C	0.44	0.0
Compound_225	C[C@H]1CC[C@@H]2[C@H]([C@]3([C@H]1CCC3=O)C)OC(=O)C2=C	0.71	1.0
Compound_226	O=C1O[C@H]2[C@H](C1=C)CC[C@@]1([C@]2(O)C(=C)CC[C@H]1O)C	0.48	0.0
Compound_227	CC1=C[C@@H](O)[C@H]2[C@H](/C=C(\[C@H](CC1)O)/C)OC(=O)C2=C	0.52	1.0
Compound_228	CC1=C[C@@H](O)[C@H]2[C@H](CC(=C)[C@@H](CC1)O)OC(=O)C2=C	0.69	1.0
Compound_229	C/C=C(\C(=O)O[C@@H]1CC(C)(C)C[C@@H]2[C@]1(CC[C@@]1(C2=CC[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)CCC(=O)[C@]1(C)CO)C)C(=O)O)/C	0.09	0.0
Compound_230	OO[C@@H]1CC[C@@]2(CC1=CC[C@@H]1[C@@H]([C@H]2O)OC(=O)C1=C)C	0.38	0.0
Compound_231	CC(=O)O[C@@H]1C=C(C)CC[C@@H]2[C@](C[C@H]3[C@H]1C(=C)C(=O)O3)(C)O2	0.25	0.0
Compound_232	O[C@H]1CC[C@]2([C@H](O1)[C@H]1OC(=O)C(=C)[C@@H]1CCC(=O)C2)C	0.36	0.0
Compound_233	C=C1C(=O)O[C@H]2[C@H]1CC[C@@]1([C@@H]2[C@@](C)(O)CC[C@H]1O)C	0.35	0.0
Compound_234	C=C1C(=O)O[C@H]2[C@H]1CC[C@@]1(C2=C(C)C(=O)C[C@H]1O)C	0.44	0.0
Compound_235	C/C=C(\C(=O)O[C@H]1[C@H]2[C@@H](OC(=O)C2=C)C[C@@]2([C@@H]1C(=C)CC[C@H]2O)C)/C	0.3	0.0
Compound_236	O[C@H]1C[C@@H](O)C(=C)CC[C@@H]2[C@@H](/C=C\1/C)OC(=O)C2=C	0.75	1.0
Compound_237	O[C@H]1CC(=O)C(=C)CC[C@@H]2[C@H](/C=C\1/C)OC(=O)C2=C	0.41	0.0
Compound_238	C=C1CC[C@@H]2[C@@H]([C@@H]3[C@H]1C[C@@H]1[C@]3(O1)C)OC(=O)C2=C	0.41	0.0
Compound_239	C=C1C(=O)O[C@H]2[C@H]1CC[C@@]([C@]13[C@@H]2[C@]2(C)O[C@@H]2[C@@H]3O1)(C)O	0.88	1.0
Compound_240	C=C1C(=O)O[C@H]2[C@H]1CC[C@@]([C@@]13[C@@H]2[C@@]2(C)O[C@H]2[C@H]3O1)(C)O	0.88	1.0
Compound_241	O=C1O[C@H]2[C@@H](C1=C)C[C@@]1([C@](C2)(C)CCCC1=C)O	0.37	0.0
Compound_242	O[C@@H]1CC[C@]2([C@H](C1=C)C[C@H]1[C@@H](C2)OC(=O)C1=C)C	0.4	0.0
Compound_243	C=C1C(=O)O[C@@H]2[C@@H]1C[C@]1(C)C(=O)CC[C@H]1[C@@H](C2)C	0.71	1.0
Compound_244	CC(=O)CCC1=CC[C@H]2[C@@H](C[C@@H]1C)OC(=O)C2=C	0.52	1.0
Compound_245	C[C@H](C[C@H](C1=CC[C@H]2[C@H](C[C@@H]1C)OC(=O)C2=C)O)OC(=O)C	0.51	1.0
Compound_246	COc1cc2CCN([C@H](c2cc1O)Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]1N(C)CCc2c1cc(O)c(c2)OC)C	0.03	0.0
Compound_247	CC(=O)/C=C/C1=CC[C@H]2[C@H](C[C@@H]1C)OC(=O)C2=C	0.7	1.0
Compound_248	CC(=O)CCC1=CC[C@H]2[C@H](C[C@@H]1C)OC(=O)C2=C	0.52	1.0
Compound_249	OCC1=CC(=O)C2=C(C)C[C@@H]([C@@H]3[C@@H]([C@@H]12)OC(=O)C3=C)O	0.87	1.0
Compound_250	OCC1=CC(=O)C2=C(C)C[C@@H]([C@@H]3[C@@H]([C@@H]12)OC(=O)[C@H]3C)O	0.62	1.0
Compound_251	O=C(Cc1ccc(cc1)O)OCC1=CC(=O)C2=C(C)C[C@@H]([C@@H]3[C@@H]([C@@H]12)OC(=O)C3=C)O	0.83	1.0
Compound_252	OCC1=CC(=O)C2=C(C)C[C@@H]([C@@H]3[C@@H]([C@@H]12)OC(=O)C3=C)OC(=O)Cc1ccc(cc1)O	0.9	1.0
Compound_253	OCC1=CC(=O)C2=C(C)C[C@@H]([C@@H]3[C@@H]([C@@H]12)OC(=O)[C@H]3C)OC(=O)Cc1ccc(cc1)O	0.76	1.0
Compound_254	OCC1=CC(=O)C2=C(C)CC[C@@H]3[C@@H]([C@@H]12)OC(=O)[C@H]3C	0.28	0.0
Compound_255	O[C@H]1CC(=C2[C@@H]([C@@H]3[C@@H]1C(=C)C(=O)O3)C(=CC2=O)COC(=O)C(=O)O)C	0.72	1.0
Compound_256	O=C(Cc1ccc(cc1)O)O[C@H]1CC(=C2[C@@H]([C@@H]3[C@@H]1C(=C)C(=O)O3)C(=CC2=O)COC(=O)C(=O)O)C	0.73	1.0
Compound_257	OC[C@H]1O[C@@H](O[C@H]2C[C@@H]3[C@H](C2=C)[C@H]2OC(=O)[C@H]([C@@H]2C[C@H](C3=C)O)C)[C@@H]([C@H]([C@@H]1O)O)O	0.68	1.0
Compound_258	OC[C@H]1O[C@@H](O[C@H]2CC=C(C=O)CC[C@@H]3[C@@H](/C=C/2\C)OC(=O)[C@H]3C)[C@@H]([C@H]([C@@H]1O)O)O	0.29	0.0
Compound_259	OC[C@H]1O[C@@H](O[C@@H]2C[C@H]3[C@H](C)C(=O)O[C@@H]3[C@@H]3C(=C2C)C(=O)C=C3C)[C@@H]([C@H]([C@@H]1O)O)O	0.35	0.0
Compound_260	OC[C@H]1O[C@@H](OC2=C[C@@H]3C(=CC[C@@H]4[C@@]3(C)C(=O)C[C@]3([C@@]4(C)C[C@H]([C@@H]3[C@](C(=O)/C=C/C(O)(C)C)(O)C)O)C)C(C2=O)(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.32	0.0
Compound_261	CC(=O)OC(/C=C/C(=O)[C@@]([C@H]1[C@H](O)C[C@@]2([C@]1(C)CC(=O)[C@@]1([C@H]2CC=C2[C@H]1C[C@H](O)C(=O)C2(C)C)C)C)(O)C)(C)C	0.18	0.0
Compound_262	CC(=O)OC(CCC(=O)[C@@]([C@H]1[C@H](O)C[C@@]2([C@]1(C)CC(=O)[C@@]1([C@H]2CC=C2[C@H]1C[C@H](O)C(=O)C2(C)C)C)C)(O)C)(C)C	0.06	0.0
Compound_263	O[C@H]1C[C@@H]2C(=CC[C@@H]3[C@@]2(C)C(=O)C[C@]2([C@@]3(C)C[C@H]([C@@H]2[C@](C(=O)/C=C/C(O)(C)C)(O)C)O)C)C(C1=O)(C)C	0.17	0.0
Compound_264	O[C@H]1C[C@@H]2C(=CC[C@@H]3[C@@]2(C)C(=O)C[C@]2([C@@]3(C)C[C@H]([C@@H]2[C@](C(=O)CCC(O)(C)C)(O)C)O)C)C(C1=O)(C)C	0.06	0.0
Compound_265	CC(=O)OC(/C=C/C(=O)[C@@]([C@H]1[C@H](O)C[C@@]2([C@]1(C)CC(=O)[C@@]1([C@H]2CC=C2[C@H]1C=C(O)C(=O)C2(C)C)C)C)(O)C)(C)C	0.14	0.0
Compound_266	OC1=CC2C(=CCC3C2(C)C(=O)CC2(C3(C)CC(C2C(C(=O)CC(C(O)(C)C)O)(O)C)O)C)C(C1=O)(C)C	0.12	0.0
Compound_267	O=C1C[C@H](O[C@H]2[C@H]([C@@H]1C)[C@@]1(C)CC(=O)[C@@]3([C@H]([C@@]1(C2)C)CC=C1[C@H]3C=C(O)C(=O)C1(C)C)C)C(O)(C)C	0.51	1.0
Compound_268	CC(=O)OC(CCC(=O)[C@@]([C@H]1[C@H](O)C[C@@]2([C@]1(C)CC(=O)[C@@]1([C@H]2CC=C2[C@H]1C=C(O)C(=O)C2(C)C)C)C)(O)C)(C)C	0.06	0.0
Compound_269	C[C@@H]([C@H]1CC[C@@]2([C@]1(C)CC(=O)[C@@]1([C@H]2CC=C2[C@H]1CC[C@@H](C2(C)C)O)C)C)CCC(=O)C(O)(C)C	0.1	0.0
Compound_270	O=C1C[C@]2(C)[C@H](CC[C@]2([C@H]2[C@]1(C)[C@@H]1CC[C@@H](C(C1=CC2)(C)C)O)C)[C@]1(C)CC[C@H](O1)C(O)(C)C	0.11	0.0
Compound_271	C1Oc2c(O1)cc1c(c2)c2cc3cc4OCOc4cc3c[n+]2CC1	0.71	1.0
Compound_272	O[C@@H]1C[C@@]2([C@]([C@H]1[C@]1(C)CC[C@H](O1)C(O)(C)C)(C)CC(=O)[C@@]1([C@H]2CC=C2[C@H]1CC[C@@H](C2(C)C)O)C)C	0.19	0.0
Compound_273	OC[C@H]1O[C@@H](O[C@H]2C[C@H]3[C@]4(C)C(=O)C[C@]5([C@@]([C@@H]4CC=C3C(C2=O)(C)C)(C)C[C@H]([C@@H]5[C@](C(=O)/C=C/C(OC(=O)C)(C)C)(O)C)O)C)[C@@H]([C@H]([C@@H]1O)O)O	0.32	0.0
Compound_274	OC[C@H]1O[C@@H](O[C@H]2C[C@H]3[C@]4(C)C(=O)C[C@]5([C@@]([C@@H]4CC=C3C(C2=O)(C)C)(C)C[C@H]([C@@H]5[C@](C(=O)CCC(OC(=O)C)(C)C)(O)C)O)C)[C@@H]([C@H]([C@@H]1O)O)O	0.07	0.0
Compound_275	OC[C@H]1O[C@@H](O[C@H]2C[C@@H]3C(=CC[C@@H]4[C@@]3(C)C(=O)C[C@]3([C@@]4(C)C[C@H]([C@@H]3[C@](C(=O)/C=C/C(O)(C)C)(O)C)O)C)C(C2=O)(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.32	0.0
Compound_276	OC[C@H]1O[C@@H](O[C@H]2C[C@@H]3C(=CC[C@@H]4[C@@]3(C)C(=O)C[C@]3([C@@]4(C)C[C@H](C3[C@](C(=O)CCC(O)(C)C)(O)C)O)C)C(C2=O)(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.07	0.0
Compound_277	OC[C@H]1O[C@@H](OC2=C[C@H]3[C@]4(C)C(=O)C[C@]5([C@@]([C@@H]4CC=C3C(C2=O)(C)C)(C)C[C@H]([C@@H]5[C@](C(=O)/C=C/C(OC(=O)C)(C)C)(O)C)O)C)[C@@H]([C@H]([C@@H]1O)O)O	0.32	0.0
Compound_278	OC[C@H]1O[C@@H](OC([C@@H](CC[C@H]([C@H]2CC[C@@]3([C@]2(C)CC(=O)[C@@]2([C@H]3CC=C3[C@H]2CC[C@@H](C3(C)C)O)C)C)C)O)(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.19	0.0
Compound_279	OC[C@H]1O[C@@H](O[C@H]2CC[C@@H]3C(=CC[C@@H]4[C@@]3(C)C(=O)C[C@]3([C@@]4(C)CC[C@@H]3[C@@H](CC[C@H](C(O)(C)C)O)C)C)C2(C)C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O	0.16	0.0
Compound_280	OC[C@H]1O[C@@H](O[C@H]2CC[C@@H]3C(=CC[C@@H]4[C@@]3(C)C(=O)C[C@]3([C@@]4(C)CC[C@@H]3[C@@H](CC[C@H](C(O)(C)C)O)C)C)C2(C)C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)OC(=O)C	0.06	0.0
Compound_281	OC[C@H]1O[C@@H](O[C@H]2CC[C@@H]3[C@@]4(C2(C)C)O[C@H]4C[C@@H]2[C@@]3(C)C(=O)C[C@]3([C@@]2(C)CC[C@@H]3[C@@H](CC[C@H](C(O)(C)C)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.23	0.0
Compound_282	COc1cc2CCN([C@@H]3c2c(c1O)c1c(C3)ccc(c1OC)OC)C	0.1	0.0
Compound_283	OC[C@H]1O[C@@H](OC(C(CC([C@H]([C@H]2CC[C@@]3([C@]2(C)CC(=O)[C@@]2([C@H]3CC=C3[C@H]2CC[C@@H](C3(C)C)O)C)C)C)O)O)(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.19	0.0
Compound_284	OC[C@H]1O[C@@H](O[C@H]2CC[C@@H]3C(=CC[C@@H]4[C@@]3(C)C(=O)C[C@]3([C@@]4(C)CC[C@@H]3[C@@H](CCC(=O)C(O)(C)C)C)C)C2(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.1	0.0
Compound_285	OC[C@H]1O[C@@H](O[C@H]2CC[C@@H]3C(=CC[C@@H]4[C@@]3(C)C(=O)C[C@]3([C@@]4(C)CC[C@@H]3[C@@H](CCC(=O)C(O)(C)C)C)C)C2(C)C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O	0.08	0.0
Compound_286	OC[C@H]1O[C@@H](OC2=C[C@H]3[C@]4(C)C(=O)C[C@]5([C@@]([C@@H]4CC=C3C(C2=O)(C)C)(C)C[C@H]([C@@H]5[C@](C(=O)CCC(OC(=O)C)(C)C)(O)C)O)C)[C@@H]([C@H]([C@@H]1O)O)O	0.07	0.0
Compound_287	OC[C@H]1O[C@@H](O[C@H]2CC[C@@H]3C(=CC[C@@H]4[C@@]3(C)C(=O)C[C@]3([C@@]4(C)CC[C@@H]3[C@@H](CC[C@H](C(O)(C)C)O)C)C)C2(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.19	0.0
Compound_288	OC[C@H]1O[C@@H](O[C@H]2CC[C@@H]3C(=CC[C@@H]4[C@@]3(C)C(=O)C[C@]3([C@@]4(C)CC[C@@H]3[C@]3(C)CC[C@H](O3)C(O[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)(C)C)C)C2(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.09	0.0
Compound_289	O[C@@H]1COC(=O)C1=C	0.77	1.0
Compound_290	CN1Cc2c([C@@H]3[C@H]1c1cc4OCOc4cc1[C@H]([C@@H]3O)O)ccc1c2OCO1	0.08	0.0
Compound_291	C1Oc2c(O1)cc1c(c2)CCN2[C@@H]1Cc1ccc3c(c1C2)OCO3	0.23	0.0
Compound_292	OC1Cc2cc3OCOc3cc2[C@@H]2C1c1cc3OCOc3cc1CN2C	0.04	0.0
Compound_293	C1Oc2c(O1)cc1c(c2)CC[N+]2=Cc3c(CC12)ccc1c3OCO1	0.17	0.0
Compound_294	C1Oc2c(O1)cc1c(c2)CCN2[C@H]1Cc1ccc3c(c1C2)OCO3	0.23	0.0
Compound_295	C[N@+]12CCc3c([C@@H]2Cc2c(C1)c1OCOc1cc2)cc1c(c3)OCO1	0.42	0.0
Compound_296	O=C(OC[C@H]1O[C@H](O)[C@@H]([C@H]([C@@H]1O)O)OC(=O)CCN(=O)=O)CCN(=O)=O	0.2	0.0
Compound_297	COc1cc2CC[n+]3c(c2cc1OC)c(C)c1c(c3)c(OC)c(cc1)OC	0.19	0.0
Compound_298	COc1cc2c(cc1OC)C[C@H]1c3c2c(OC)c(O)cc3CCN1C	0.11	0.0
Compound_299	COc1cc2c(cc1O)C[C@H]1c3c2c(O)c(OC)cc3CCN1C	0.06	0.0
Compound_300	COc1cc2CCN([C@]3(c2cc1O)C(=O)c1c([C@@H]3O)c2OCOc2cc1)C	0.13	0.0
Compound_301	COc1c(OC)ccc2c1CN(C)CCc1c(C(=O)[C@H]2C)cc2c(c1)OCO2	0.23	0.0
Compound_302	O=C(OC[C@H]1O[C@@H](OC(=O)CCN(=O)=O)[C@@H]([C@H]([C@@H]1O)O)O)CCN(=O)=O	0.18	0.0
Compound_303	COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)OC	0.05	0.0
Compound_304	C[N+]1(C)[C@H]2Cc3c([C@@H]1Cc1c2cc2COCc2c1)cc1c(c3)OCO1	0.43	0.0
Compound_305	COc1cc2c(cc1OC)C[C@@H]1N([C@H]2Cc2c1cc1c(c2)OCO1)C	0.46	0.0
Compound_306	COc1cc2c(cc1OC)CCN1C2Cc2ccc3c(c2C1)OCO3	0.09	0.0
Compound_307	O=C(OC[C@H]1O[C@@H](OC(=O)CCN(=O)=O)[C@@H]([C@H]([C@@H]1O)O)OC(=O)CCN(=O)=O)CCN(=O)=O	0.2	0.0
Compound_308	COc1cc2CCN([C@]3(c2cc1O)Cc1c([C@H]3O)c2OCOc2cc1)C	0.12	0.0
Compound_309	CN1CCc2c([C@@]31Cc1c(C3=O)c3OCOc3cc1)cc1c(c2)OCO1	0.25	0.0
Compound_310	COc1cc2c(cc1OC)CCN([C@@]12Cc2c([C@@H]1O)c1OCOc1cc2)C	0.07	0.0
Compound_311	CN1CCc2c(C31Cc1c(C3O)c3OCOc3cc1)cc1c(c2)OCO1	0.18	0.0
Compound_312	COc1cc2CCN(C3(c2cc1O)Cc1c(C3OC(=O)C)c2OCOc2cc1)C	0.23	0.0
Compound_313	OCCC[C@@H]1/C(=C(\C=O)/C)/CC[C@]([C@@]1(C)CC/C=C(/[C@@H](C/C=C(/CCC=C(C)C)\C)O)\C)(C)O	0.06	0.0
Compound_314	COc1cc2Oc3c(OC)ccc4c3[C@H](Cc2cc1OC)N(C)CC4	0.02	0.0
Compound_315	O=C(OC[C@H]1O[C@H](O)[C@@H]([C@H]([C@@H]1O)OC(=O)CCN(=O)=O)OC(=O)CCN(=O)=O)CCN(=O)=O	0.34	0.0
Compound_316	COc1cc2CCN([C@H]3c2cc1Oc1c2c(CCN([C@H]2Cc2ccc(Oc4cc(C3)ccc4O)cc2)C)cc(c1OC)O)C	0.06	0.0
Compound_317	COc1c(O)cc2c3c1Oc1cc4c(cc1OC)CCN([C@H]4Cc1ccc(Oc4cc(C[C@H]3N(CC2)C)ccc4O)cc1)C	0.06	0.0
Compound_318	COc1cc2CCN([C@H]3c2cc1Oc1c2c(CCN([C@H]2Cc2ccc(Oc4cc(C3)ccc4O)cc2)C)cc(c1O)OC)C	0.03	0.0
Compound_319	COc1cc2CCN([C@@H]3c2cc1Oc1c2c(CCN([C@@H]2Cc2ccc(c(c2)Oc2ccc(C3)cc2)O)C)cc(c1O)OC)C	0.03	0.0
Compound_320	COc1cc2C(C)NCCc2cc1OC	0.11	0.0
Compound_321	OCCC[C@@H]1/C(=C(\C=O)/C)/CC[C@]([C@@]1(C)CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)(C)O	0.06	0.0
Compound_322	O=N(=O)CCC(=O)O[C@@H]1O[C@H](COC(=O)CCN(=O)=O)[C@H]([C@@H]([C@H]1OC(=O)CCN(=O)=O)O)OC(=O)CCN(=O)=O	0.56	1.0
Compound_323	CN1CCc2c([C@@H]3[C@H]1c1ccc4c(c1[C@H](O3)O)OCO4)cc1c(c2)OCO1	0.12	0.0
Compound_324	CO[C@H]1O[C@H]2c3cc4OCOc4cc3CCN([C@@H]2c2c1c1OCOc1cc2)C	0.08	0.0
Compound_325	COc1c(O)cc2c3c1c1ccccc1C[C@H]3N(CC2)C	0.07	0.0
Compound_326	CN1CCc2c3[C@H]1Cc1ccccc1c3c1c(c2)OCO1	0.67	1.0
Compound_327	CO[C@H]1O[C@H]2c3cc(O)c(cc3CCN[C@@H]2c2c1c1OCOc1cc2)OC	0.11	0.0
Compound_328	COc1ccc(cc1O)C[C@H]1N(C)CCc2c1cc(OC)c(c2)OC	0.02	0.0
Compound_329	COC1=C[C@@]23CCN([C@@H](C2=CC1=O)Cc1c3c(O)c(cc1)OC)C	0.09	0.0
Compound_330	CC(=C)C1Oc2c(C1)c1c(c(c2)O)c(=O)c2c(n1C)cccc2	0.37	0.0
Compound_331	C[C@@H]1NCCc2c1cc(O)c(c2)O	0.03	0.0
Compound_332	CO[C@H]1C=CC2=CCN3[C@]2(C1)c1cc(OC)c(cc1CC3)O	0.09	0.0
Compound_333	CO[C@H]1C=CC2=CCN3[C@]2(C1)c1cc(O)c(cc1CC3)OC	0.06	0.0
Compound_334	CO[C@H]1C=CC2=CCN3[C@]2(C1)c1cc2OCOc2cc1CC3	0.17	0.0
Compound_335	CO[C@H]1C=CC2=CCN3[C@]2(C1)c1cc(OC)c(cc1[C@H](C3)O)OC	0.03	0.0
Compound_336	CO[C@H]1CC=C2[C@]3(C1)N(CC2)CCc1c3cc2OCOc2c1	0.18	0.0
Compound_337	Oc1cc2OC(Cc2c2c1c(=O)c1c(n2C)cccc1)C1(C)CO1	0.07	0.0
Compound_338	CCC[C@H]1CC[C@@H](CN1C)O	0.06	0.0
Compound_339	CC[C@@H]([C@@H]1CC=C[C@H]2N1CCCNCCCCNC(=O)C2)O	0.01	0.0
Compound_340	CCC=CCC=C[C@H]1NCCCNCCCCNC(=O)C1	0.17	0.0
Compound_341	O=CN1CCCN2[C@H](C=CC[C@H]2[C@H](CC)O)CC(=O)NCCCC1	0.01	0.0
Compound_342	CC[C@@H]([C@@H]1CC=C[C@H]2N1CCCN(CCCCNC(=O)C2)C(=O)C)O	0.01	0.0
Compound_343	CCC=CCC=C[C@H]1NCCCN(C=O)CCCCNC(=O)C1	0.05	0.0
Compound_344	CCC[C@@H]1CC=C[C@H]2N1CCCNCCCCNC(=O)C2	0.02	0.0
Compound_345	C/C=C/[C@H]1CCC[C@H](N1)C	0.07	0.0
Compound_346	C[C@H]1CCCCN1	0.3	0.0
Compound_347	O=C1C[C@H]2CCC[C@@](C1)(N2)C	0.02	0.0
Compound_348	C[C@@H]1CCC[C@@H](N1)CC(=O)C	0.04	0.0
Compound_349	CC(=O)N1CCCC(=C1)[C@H]1CCCCN1	0.09	0.0
Compound_350	CC(=O)CC1CCCCN1C	0.09	0.0
Compound_351	O=C1CC2CCCC(C1)N2	0.04	0.0
Compound_352	OC(c1ccccc1)CC1CC=CC(N1C)CC(=O)C	0.01	0.0
Compound_353	O[C@H](c1ccccc1)C[C@@H]1CC=C[C@H](N1C)C[C@H](O)C	0.0	0.0
Compound_354	O[C@H](c1ccccc1)C[C@@H]1CCCCN1	0.01	0.0
Compound_355	O[C@@H](c1ccccc1)C[C@H]1CC[C@@H]2[C@H](N1C)C[C@](O2)(C)O	0.01	0.0
Compound_356	O[C@H]1CC[C@H](N(C1)C)C[C@@H](c1ccccc1)O	0.0	0.0
Compound_357	OC(c1ccccc1)CC1CCCC(N1C)CC(=O)C	0.01	0.0
Compound_358	OC(=O)[C@]12CC[C@@]3(C(=CC[C@H]4[C@@]3(C)CC[C@@H]3[C@@]54CC[C@@](C3(C)C)(OC5)O)[C@@H]2CC(CC1)(C)C)C	0.06	0.0
Compound_359	CC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2C(=O)C=C2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C(=O)O)C)C	0.15	0.0
Compound_360	C/C=C(\C(=O)O[C@@H]1CC(C)(C)C[C@@H]2[C@]1(CC[C@@]1(C2=CC[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)CCC(=O)C1(C)C)C)C(=O)O)/C	0.15	0.0
Compound_361	O[C@H](c1ccccc1)C[C@@H]1CCC[C@@H](N1C)C[C@H](c1ccccc1)O	0.0	0.0
Compound_362	C[C@@H]1C[C@H]2Cc3c([C@@]4(C1)[C@@H]2CCCN4)cccn3	0.01	0.0
Compound_363	CN1CCCC[C@H]1c1cccnc1	0.02	0.0
Compound_364	OC[C@H]1O[C@@H](Oc2c(N)[nH]c(=O)[nH]c2=O)[C@@H]([C@H]([C@@H]1O)O)O	0.01	0.0
Compound_365	NC(=C1C=NC=C1)N	0.05	0.0
Compound_366	O=C(C[C@@H]1CCCN1C)C[C@H]1CCCN1C	0.15	0.0
Compound_367	CO[C@H]1C=C2CCN3[C@H]2[C@@H]([C@@H]1O)c1cc(OC)c(cc1C3)OC	0.04	0.0
Compound_368	C[C@H](C[C@H]1CCCN1C)O	0.01	0.0
Compound_369	C/C=C/1\CC(=C)[C@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3	0.04	0.0
Compound_370	O[C@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@@H](O)C)(C(C)C)O	0.05	0.0
Compound_371	CCC(C(C(=O)OCC1CCN2C1CCC2)(C(O)C)O)C	0.05	0.0
Compound_372	CC([C@@](C(=O)OCC1=CCN2[C@H]1CCC2)([C@@H](O)C)O)C	0.06	0.0
Compound_373	CC(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@H](O)C)(C(C)C)O	0.03	0.0
Compound_374	O=C(/C=C/c1ccc(cc1)O)OC[C@@H]1CCN2[C@@H]1CCC2	0.42	0.0
Compound_375	C/C=C(\C(=O)O[C@H]1CCN2[C@H]1C(=CC2)COC(=O)[C@@](C(O)(C)C)([C@@H](OC(=O)C)C)O)/C	0.03	0.0
Compound_376	C/C=C(\C(=O)O[C@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@](C(O)(C)C)([C@@H](O)C)O)/C	0.04	0.0
Compound_377	O[C@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@H](O)C)(C(C)C)O	0.05	0.0
Compound_378	CO[C@@H]1C=C[C@]23[C@H](C1)N(C[C@@H]2O)Cc1c3cc2OCOc2c1	0.05	0.0
Compound_379	CC([C@@](C(=O)OC[C@@H]1CCN2[C@H]1CCC2)([C@@H](O)C)O)C	0.01	0.0
Compound_380	C/C(=C/C)/C(=O)O[C@H]1CCN2[C@@H]1C(=CC2)CO	0.02	0.0
Compound_381	CC([C@@](C(=O)OC[C@@H]1CCN2[C@H]1CCC2)([C@H](O)C)O)C	0.01	0.0
Compound_382	CC(=O)O[C@H]([C@](C(=O)OCC1=CCN2[C@H]1[C@@H](O)CC2)(C(C)C)O)C	0.03	0.0
Compound_383	C/C=C(/C(=O)OCC1=CCN2[C@H]1[C@H](CC2)OC(=O)/C(=C/C)/C)\C	0.05	0.0
Compound_384	C/C=C(\C(=O)O[C@@H]1CCN2[C@@H]1C=C(C2)COC(=O)[C@](C(O)(C)C)([C@@H](OC(=O)C(=CC)C)C)O)/C	0.03	0.0
Compound_385	O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@](C(O)(C)C)([C@H](O)C)O	0.08	0.0
Compound_386	CC(=CC(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@](C(O)(C)C)(C(O)C)O)C	0.05	0.0
Compound_387	OCC1=CCN2[C@H]1[C@@H](O)CC2	0.03	0.0
Compound_388	OCC1=CCN2[C@H]1CCC2	0.03	0.0
Compound_389	CO[C@@H]([C@@](C(=O)OCC1=CCN2[C@H]1CCC2)(C(C)C)O)C	0.04	0.0
Compound_390	CN1CC[C@H]2OC(=O)[C@@]3(O[C@@H]3C)C[C@H]([C@@](C(=O)OCC(=CC1)C2=O)(C)OC(=O)C)C	0.11	0.0
Compound_391	C/C=C\1/C[C@H](C)[C@](C)(OC(=O)C)C(=O)OCC2=CCN(CC[C@H](OC1=O)C2=O)C	0.08	0.0
Compound_392	O=C(CC(O)(C)C)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@](C(O)(C)C)([C@@H](O)C)O	0.04	0.0
Compound_393	O=C(CC(O)(C)C)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@](C(O)(C)C)([C@@H](OC(=O)C)C)O	0.04	0.0
Compound_394	CCC(C(=O)N[C@H]1CCN2[C@@H]1CCC2)C	0.1	0.0
Compound_395	C/C=C(/C(=O)O[C@H]([C@](C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)OC(=O)C)(C(C)C)O)C)\C	0.03	0.0
Compound_396	CN1CC[C@H]2OC(=O)[C@]3(O[C@H]3C)C[C@H]([C@@](C(=O)OCC(=CC1)C2=O)(C)O)C	0.04	0.0
Compound_397	COc1ccc2c3c1O[C@@H]1[C@@]3(CCNC2)C=C[C@@H](C1)O	0.06	0.0
Compound_398	C/C=C/1\C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3	0.03	0.0
Compound_399	C/C=C/1\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3	0.03	0.0
Compound_400	COC(=O)[C@H]1[C@@H]2CCCN2C[C@@]1(C)O	0.01	0.0
Compound_401	O=C1C=C(C)C[C@@H](C)[C@@](C)(O)C(=O)OC[C@@H]2[C@@H]3[C@H](O1)CCN3CC2	0.05	0.0
Compound_402	CN1CC[C@H]2OC(=O)[C@](O)(C[C@H]([C@@](C(=O)OCC(=CC1)C2=O)(C)OC(=O)C)C)[C@H](Cl)C	0.14	0.0
Compound_403	O=C1O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@](C(=C)C[C@]21O[C@H]2C)(C)O	0.03	0.0
Compound_404	COc1cc2[C@@H]3[C@@H](CC=C4[C@H]3N(C)CC4)OC(=O)c2cc1OC	0.04	0.0
Compound_405	C/C=C(\C(=O)OC[C@H]1[C@@H](O)CN2[C@@H]1CCC2)/C	0.02	0.0
Compound_406	CN1CC[C@H]2OC(=O)C(O)(C[C@H]([C@@](C(=O)OCC(=CC1)C2=O)(C)OC(=O)C)C)C(O)C	0.03	0.0
Compound_407	C/C=C(\C(=O)O[C@@H]1CCN2[C@@H]1[C@H](CC2)COC(=O)C(=CC)CO)/C	0.02	0.0
Compound_408	C/C=C(\C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)C(=CC)CO)/C	0.02	0.0
Compound_409	OCC1=CCN(C)CC[C@H](C1=O)O	0.03	0.0
Compound_410	C/C=C(/C(=O)OCC([C@@H]([C@H](C(=O)OCC1=CCN2(=O)[C@H]1[C@H](O)CC2)C)O)C)\C	0.09	0.0
Compound_411	CO[C@@H]1C=C[C@]23[C@H](C1)N(C)C[C@@H]2O[C@H](c1c3cc2OCOc2c1)O	0.14	0.0
Compound_412	COc1c(=O)ccc2c1[nH]c1occc1c2OC	0.87	1.0
Compound_413	COc1ccc2c3c1O[C@@H]1[C@@]3(CCNC2)C=C[C@@H](C1)OC(=O)CC(O)C	0.05	0.0
Compound_414	COc1cc(nc2c1cccc2)c1ccc2c(c1)OCO2	0.95	1.0
Compound_415	COc1ccc2c(c1)c(=O)cc(n2C)c1ccccc1	0.2	0.0
Compound_416	CN1CC[C@]2([C@@H]1N(C)c1c2cccc1)[C@]12CCN([C@H]1N(c1c2cccc1)C)C	0.01	0.0
Compound_417	C1CC[C@@H]2N(C1)C[C@@H]1C[C@H]2CN2C1=CCCC2	0.02	0.0
Compound_418	C1CC[C@H]2N(C1)C[C@@H]1C[C@H]2CN2[C@@H]1CCCC2	0.07	0.0
Compound_419	O=C1[C@@H]2C[C@H]([C@@H]3N1CCCC3)C(=O)N1[C@H]2CCCC1	0.02	0.0
Compound_420	O[C@H]1CCN2[C@H](C1)[C@@H]1C[C@@H](C2)c2n(C1)c(=O)ccc2	0.0	0.0
Compound_421	O=C1CCC[C@H]2N1C[C@@H]1C[C@H]2CN2[C@H]1CCCC2	0.03	0.0
Compound_422	O=C1CCC=C2N1C[C@@H]1C[C@@H]2CN2[C@H]1CCCC2	0.01	0.0
Compound_423	O[C@H]1CCN2[C@@H](C1)[C@@H]1C[C@@H](C2)[C@@H]2N(C1)C(=O)CCC2	0.01	0.0
Compound_424	COc1ccc2c3c1O[C@H]1[C@]3(CCNC2)C=CC(C1)OC(=O)CC(OC(=O)C)C	0.16	0.0
Compound_425	O=C1C=CN2[C@H](C1)[C@H]1C[C@@H](C2)[C@H]2N(C1)CCCC2	0.02	0.0
Compound_426	O[C@H]1CCN2[C@@H](C1)[C@H]1C[C@@H](C2)[C@@H]2N(C1)C(=O)[C@H](CC2)O	0.01	0.0
Compound_427	O[C@H]1CCCN2[C@H]1[C@@H]1C[C@@H](C2)[C@H]2N(C1)CCCC2	0.01	0.0
Compound_428	C=CCCN1C[C@@H]2C[C@H](C1)c1n(C2)c(=O)ccc1	0.01	0.0
Compound_429	C=CCCN1C[C@H]2C[C@@H](C1)[C@@H]1N(C2)C(=O)CCC1	0.01	0.0
Compound_430	O=c1cccc2n1C[C@H]1C[C@@H]2CN2[C@@H]1CCCC2	0.02	0.0
Compound_431	Oc1ccc2n(c1=O)C[C@H]1C[C@@H]2NC1	0.0	0.0
Compound_432	CC(=O)O[C@H]1C=C2CCN3[C@H]2[C@@H]([C@@H]1O)c1cc2OCOc2cc1C3	0.16	0.0
Compound_433	C=CC[C@H]1NC[C@H]2C[C@@H]1[C@H]1CC(=O)C=CN1C2	0.01	0.0
Compound_434	O=CN1C[C@@H]2C[C@H](C1)c1n(C2)c(=O)ccc1	0.01	0.0
Compound_435	O=c1cccc2n1C[C@H]1C[C@H]2CN2[C@H]1CCCC2	0.02	0.0
Compound_436	C=CC[C@H]1N(C)C[C@@H]2C[C@@H]1Cn1c2cccc1=O	0.01	0.0
Compound_437	CC1C[C@@]2(O)CC(=O)[C@@H]3[C@@]4(C1)C2=CCCN4CCC3	0.02	0.0
Compound_438	O[C@H]1C=C[C@@]23[C@@H](C1)N(CC2)Cc1c3cc2OCOc2c1	0.08	0.0
Compound_439	CC1=C[C@H]2C[C@H]([C@@H]3[C@@]4(C1)[C@@H]2CCCN4CCC3)O	0.04	0.0
Compound_440	C[C@@H]1C[C@H]2CC(=O)[C@@H]3[C@@]4(C1)[C@@H]2CCCN4CCC3	0.07	0.0
Compound_441	C[C@@H]1C[C@H]2CC(=O)[C@@H]3[C@@]4(C1)[C@]2(O)CCCN4CCC3	0.01	0.0
Compound_442	C[C@@H]1C[C@H]2CC(=O)[C@@H]3[C@@]4(C1)[C@@]2(O)CCCN4CCC3	0.01	0.0
Compound_443	C/C=C/1\[C@H]2C=C(C[C@]1(N)c1c([C@@H]2O)nc(cc1)O)C	0.05	0.0
Compound_444	C[C@@H]1C[C@H]2[C@H](O)C(=O)[C@@H]3[C@@]4(C1)[C@@H]2CCCN4CCC3	0.1	0.0
Compound_445	CC(=O)O[C@@H]1C[C@@H]2C(=O)[C@@H](C[C@]34[C@@H]1CCCN4CCC=C23)C	0.03	0.0
Compound_446	CC(=O)O[C@@H]1[C@@H](C)C[C@]23[C@H]4[C@H]1C[C@H]([C@H]3CCCN2CCC4)OC(=O)C	0.08	0.0
Compound_447	O=C1O[C@@H]2C[C@H]1[C@@]13C(C)C[C@@]43[C@@H]2CCCN4C[C@@H]2[C@H]1O2	0.01	0.0
Compound_448	COc1cc2c(cc1OC)CN1[C@H]3[C@H]2[C@H](O)CC=C3CC1	0.03	0.0
Compound_449	COC(=O)C1=C2C[C@H]3CN4[C@]2([C@@H]([C@@H](C1)O)CCC4)C[C@@H]3C	0.03	0.0
Compound_450	O=C1C[C@@H]2[C@H](O)[C@H](C[C@]34[C@@H]1CCCN4CCC[C@H]23)C	0.02	0.0
Compound_451	C[C@@H]1C[C@H]2C[C@H]([C@@H]3[C@@]4(C1)[C@@H]2CCCN4CCC3)O	0.02	0.0
Compound_452	C[C@@H]1C[C@H]2CC(=O)[C@@]3([C@@]4(C1)[C@@H]2CCCN4CCC3)O	0.03	0.0
Compound_453	O=C1O[C@@H]2C[C@H]3C(=CC(=O)[C@H]([C@@]3([C@@H]3[C@@]42[C@@H](C1)[C@](C)(O)[C@H]([C@@]3(OC4)O)O)C)O)C	0.11	0.0
Compound_454	CCC(C(=O)O[C@H]1C(=O)O[C@H]2[C@]34[C@@H]1[C@@H](C)[C@@H](O)[C@@]([C@@H]4[C@@]1([C@@H](C2)C(=CC(=O)[C@H]1O)C)C)(OC3)O)C	0.34	0.0
Compound_455	COc1cc(ccc1O)C(=O)O[C@H]1CC[C@]2(C3[C@@]1(O)O[C@@]12CC2[C@@](C1CC3)(O)[C@@H](O)[C@@H](C1C2CN2C[C@@H](C)CC[C@H]2[C@@]1(C)O)O)C	0.05	0.0
Compound_456	O=C1O[C@@H]2C[C@H]3C(=CC(=O)[C@H]([C@@]3([C@@H]3[C@@]42[C@@H](C1)C(=C)[C@H]([C@@]3(OC4)O)O)C)O)C	0.4	0.0
Compound_457	CC[C@H](C(=O)O[C@H]1CC[C@]2([C@H]3[C@@]1(O)O[C@]12C[C@@H]2[C@@]([C@@H]1[C@@H](C3)O)(O)[C@@H](O)[C@@H]([C@H]1[C@H]2CN2C[C@@H](C)CC[C@H]2[C@@]1(C)O)O)C)C	0.02	0.0
Compound_458	CN[C@H]([C@H]1[C@H](O)C[C@@]2([C@]1(C)CC[C@@]13[C@H]2CC[C@@H]2[C@]3(C1)CC[C@@H](C2=C)NC)C)C	0.05	0.0
Compound_459	CN[C@H]([C@H]1[C@H](O)C[C@@]2([C@]1(C)CC[C@@]13[C@H]2CC[C@@H]2[C@]3(C1)CC[C@@H](C2=C)N(C)C)C)C	0.01	0.0
Compound_460	CN([C@H]([C@H]1CC[C@@]2([C@]1(C)CC[C@@]13[C@H]2CC[C@@H]2[C@]3(C1)CC[C@@H](C2(C)C)N(C)C)C)C)C	0.04	0.0
Compound_461	CN[C@H]([C@H]1[C@H](O)C[C@@]2([C@]1(C)CC[C@@]13[C@H]2CC[C@@H]2[C@]3(C1)CC[C@@H](C2(C)C)NC)C)C	0.01	0.0
Compound_462	COc1cc2[C@@H]3[C@@H](CC=C4[C@H]3N(C)CC4)O[C@@H](c2cc1OC)O	0.03	0.0
Compound_463	C[C@@H]([C@H]1[C@H](O)C[C@@]2([C@]1(C)CC=C1[C@H]2CC[C@@H]2C(=C1)CC[C@@H](C2(C)C)N(C)C)C)N	0.03	0.0
Compound_464	CN[C@H]1CC[C@]23[C@H](C1=C)CC[C@@H]1[C@@]3(C2)CC[C@]2([C@@]1(C)C[C@H]([C@@H]2C(=O)C)O)C	0.06	0.0
Compound_465	O[C@H]1CC[C@]2([C@H](C1)C(=O)C[C@@H]1[C@@H]2C[C@@H]2[C@H]1CC[C@@H]1[C@H]2CN2C[C@@H](C)CC[C@H]2[C@@]1(C)O)C	0.02	0.0
Compound_466	O[C@H]1CC[C@]2([C@H](C1)[C@H](O)C[C@@H]1[C@@H]2C[C@@H]2[C@H]1CC[C@@H]1[C@H]2CN2C[C@@H](C)CC[C@H]2[C@@H]1C)C	0.02	0.0
Compound_467	O[C@H]1CC[C@]2([C@H](C1)[C@H](O)C[C@@H]1[C@@H]2C[C@@H]2[C@H]1CC[C@H]1[C@H]2CN2C[C@@H](C)CC[C@H]2[C@H]1C)C	0.02	0.0
Compound_468	O[C@H]1CC[C@]2([C@H](C1)[C@H](O)C[C@@H]1[C@@H]2C[C@@H]2[C@H]1C[C@@H]([C@H]1[C@H]2CN2C[C@@H](C)C=C[C@H]2[C@@H]1C)O)C	0.03	0.0
Compound_469	O[C@H]1CC[C@]2([C@H](C1)C(=O)C[C@@H]1[C@@H]2C[C@@H]2[C@H]1CC[C@H]1[C@H]2CN2C[C@@H](C)CC[C@H]2[C@@]1(C)O)C	0.02	0.0
Compound_470	OCCC[C@@H]1/C(=C(\C=O)/C)/CC[C@]([C@@]1(C)CC/C=C(/CC[C@@H]1C(=C)CC[C@@H](C1(C)C)C)\C)(C)O	0.15	0.0
Compound_471	O[C@H]1CC[C@]2([C@H](C1)[C@H](O)C[C@@H]1[C@@H]2C[C@@H]2[C@H]1CC[C@H]1[C@H]2CN2C[C@@H](C)CC[C@H]2[C@@]1(C)O)C	0.02	0.0
Compound_472	O[C@H]1CC[C@]2([C@H](C1)C(=O)C[C@@H]1[C@@H]2CC2=C(C)[C@]3(CC[C@@H]12)O[C@H]1[C@H]([C@H]3C)NC[C@H](C1)C)C	0.02	0.0
Compound_473	O[C@H]1CC[C@]2([C@H](C1)[C@H](O)C[C@@H]1[C@@H]2C[C@@H]2[C@H]1CC[C@H]1[C@H]2CN2C[C@@H](C)CC[C@H]2[C@@H]1C)C	0.02	0.0
Compound_474	O[C@H]1CC[C@]2([C@H](C1)C(=O)C[C@@H]1[C@@H]2C[C@@H]2[C@H]1CC[C@H]1[C@H]2CN2C[C@@H](C)CC[C@H]2[C@@H]1C)C	0.02	0.0
Compound_475	O[C@H]1CC[C@]2([C@H](C1)C(=O)C[C@H]1[C@H]2C[C@@]2([C@@H]1C=C[C@H](C2)[C@@H]([C@@H]1CC[C@@H](CN1C)C)C)C)C	0.02	0.0
Compound_476	O[C@H]1CC[C@]2([C@H](C1)[C@H](O)C[C@@H]1[C@@H]2C[C@@]2([C@H]1C=C[C@H](C2)[C@@H]([C@H]1CC[C@@H](CN1C)C)C)C)C	0.01	0.0
Compound_477	CN(C([C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)CC[C@@H](C2=O)N1C[C@H](C1=O)C(C)C)C)C	0.08	0.0
Compound_478	CC(=O)OC1C(CCC2(C1CCC1C2CCC2(C1CCC2C(N(C)C)C)C)C)N(C(=O)c1ccccc1)C	0.06	0.0
Compound_479	CN1CCC2=CC[C@@H]3[C@H]([C@H]12)c1cc2OCOc2cc1C(=O)O3	0.07	0.0
Compound_480	CN[C@@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](N(C)C)C)C)C	0.03	0.0
Compound_481	CC(=CC(=O)N([C@@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](N(C)C)C)C)C)C)C	0.25	0.0
Compound_482	CC(=CC(=O)N[C@@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](N(C)C)C)C)C)C	0.14	0.0
Compound_483	CN(C(C1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)CC[C@@H](C2)N(C)C)C)C(=O)C	0.08	0.0
Compound_484	CN([C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)CC[C@@H](C2)NC(=O)c1cccnc1)C)C	0.02	0.0
Compound_485	CN([C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)CC[C@]1(C2)N(C)C(=O)c2c1cccc2)C)C	0.38	0.0
Compound_486	O[C@H]1CC[C@]2([C@H]([C@@H]1O)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](N(C)C)C)C)C	0.04	0.0
Compound_487	C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@@H]([C@]2(C)O)[C@@H](O)[C@@H]([C@@]2([C@H]1C[C@]13[C@H]2CC[C@H]2[C@]3(C)CC[C@@H]([C@]2(O1)O)O)O)O	0.01	0.0
Compound_488	O[C@H]1C=C2[C@H](C[C@@H]1O)N1C[C@H]2c2cc3OCOc3cc2C1	0.03	0.0
Compound_489	CC[C@H](C(=O)O[C@H]1[C@H](O)[C@H]2[C@H]([C@H]3[C@]1(O)[C@@H]1[C@H](OC(=O)C)C[C@H]4[C@]5([C@]1(C3)O[C@@]4(O)[C@H](CC5)OC(=O)[C@]([C@H](OC(=O)C)C)(O)C)C)CN1[C@H]([C@@]2(C)O)CC[C@@H](C1)C)C	0.05	0.0
Compound_490	CC[C@H](C(=O)O[C@H]1[C@H](O)[C@H]2[C@H]([C@H]3[C@]1(O)[C@@H]1[C@H](OC(=O)C)C[C@H]4[C@]5([C@]1(C3)O[C@]4(O)[C@H](CC5)OC(=O)C)C)CN1[C@H]([C@@]2(C)O)CC[C@@H](C1)C)C	0.05	0.0
Compound_491	O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2C(=O)C2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)N(C[C@H](C2)C)C(=O)C)C1)C	0.06	0.0
Compound_492	C[C@@H]1CN[C@@H]2[C@@H](C1)O[C@@]1([C@@H]2C)CC[C@@H]2C(=C1C)C(=O)[C@H]1[C@H]2CC[C@@H]2[C@]1(C)[C@@H](O)C[C@@H](C2)O	0.03	0.0
Compound_493	CCC(C(=O)O[C@H]1[C@H](O)[C@H]2[C@H]([C@H]3[C@]1(O)[C@@H]1[C@H](O)C[C@H]4[C@]5([C@]1(C3)O[C@]4(O)[C@H](C[C@@H]5OC(=O)C)OC(=O)C(CC)(O)C)C)CN1[C@H](C2(C)O)CC[C@@H](C1)C)C	0.03	0.0
Compound_494	C[C@H]1CC[C@@H](NC1)[C@H](c1ccc2c(c1C)C[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C	0.04	0.0
Compound_495	C[C@H]1CC[C@H](NC1)[C@H]([C@]1(C)CC[C@@H]2C1=CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C	0.03	0.0
Compound_496	C[C@H]1CC[C@H](NC1)[C@H]([C@]1(C)[C@@H](O)C[C@@H]2C1=CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C	0.02	0.0
Compound_497	OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3C(=O)C3=C(C)[C@]5(CC[C@@H]43)O[C@H]3[C@H]([C@H]5C)NC[C@H](C3)C)C2)C)[C@@H]([C@H]([C@@H]1O)O)O	0.05	0.0
Compound_498	COc1cc(ccc1OC)C(=O)O[C@H]1CC[C@]2([C@H]3[C@@]1(O)O[C@]12C[C@@H]2[C@@]([C@@H]1CC3)(O)[C@@H](O)[C@@H]([C@H]1[C@H]2CN2C[C@@H](C)CC[C@H]2[C@@]1(C)O)O)C	0.02	0.0
Compound_499	C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@@H]([C@]2(C)O)[C@@H](O)[C@@H]([C@@]2([C@H]1C[C@]13[C@H]2CC[C@H]2[C@]3(C)CC[C@@H]([C@]2(O1)O)OC(=O)C)O)O	0.03	0.0
Compound_500	O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2C[C@H](O)[C@]2([C@H]3C[C@H]3[C@@H]2[C@H](C)[C@@H]2N3C[C@H](CC2)C)C)C1)C	0.02	0.0
Compound_501	OC[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]1[C@@H]2[C@H](C)[C@@H]2N1C[C@H](CC2)C)CC=C1[C@]3(C)CC[C@@H](C1)O	0.02	0.0
Compound_502	CCC(C(=O)O[C@H]1[C@H](O)[C@H]2[C@H]([C@H]3[C@]1(O)[C@@H]1[C@H](OC(=O)C)C[C@H]4[C@]5([C@]1(C3)O[C@]4(O)[C@H](CC5)OC(=O)c1ccc(c(c1)OC)OC)C)CN1[C@H]([C@@]2(C)O)CC[C@@H](C1)C)C	0.05	0.0
Compound_503	CCC(C(=O)O[C@H]1CC[C@]2(C3[C@]1(O)O[C@]12CC2[C@@](C1[C@@H](C3)O)(O)C(OC(=O)C(CC)(O)C)[C@@H](C1C2CN2C[C@@H](C)CC[C@H]2[C@@]1(C)O)O)C)C	0.04	0.0
Compound_504	O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H]([C@@H]2CCC(=N2)C)C)C)C1)C	0.04	0.0
Compound_505	C[C@@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O[C@@H]1O[C@H](C)[C@H]([C@@H]([C@H]1O)O)O)[C@@H]1CCC(=N1)C	0.06	0.0
Compound_506	OC[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]1[C@@H]2[C@H](C)[C@@H]2N1C[C@H](CC2)C)CCC1=CC(=O)CC[C@]31C	0.09	0.0
Compound_507	C[C@H]1CCC(=NC1)[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C	0.03	0.0
Compound_508	C[C@H]1CC[C@]2(NC1)O[C@H]1[C@]([C@@H]2C)(C)C2=CC[C@H]3[C@H]([C@@H]2C1)CC=C1[C@]3(C)CC[C@@H](C1)O	0.04	0.0
Compound_509	CCC(C(=O)O[C@H]1[C@H](O)[C@]2(O)[C@H]([C@H]3[C@H]1C(C)(O)[C@H]1N(C3)C[C@H](CC1)C)C[C@]13[C@H]2[C@H](O)C[C@H]2[C@]3(C)CC[C@@H]([C@]2(O1)O)O)C	0.02	0.0
Compound_510	CC[C@H](C(=O)O[C@H]1[C@H](O)[C@H]2[C@H]([C@H]3[C@]1(O)[C@@H]1[C@H](O)C[C@H]4[C@]5([C@]1(C3)O[C@@]4(O)[C@H](CC5)OC(=O)C)C)CN1[C@H]([C@@]2(C)O)CC[C@@H](C1)C)C	0.04	0.0
Compound_511	OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@H]2C[C@H]2[C@@H]3[C@H](C)[C@@]3(O2)CC[C@@H](CN3)C)C)C)[C@@H]([C@H]([C@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O)O)O	0.01	0.0
Compound_512	OC[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@@H]3C(C)[C@@]3(O4)CC[C@H](CN3)C)C)C2)C)C([C@H]([C@H]1O[C@@H]1O[C@@H](CO)[C@H]([C@@H](C1O[C@@H]1O[C@@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O[C@@H]1OC[C@H]([C@@H](C1O)O)O)O)O)O	0.05	0.0
Compound_513	OCc1ccc(o1)c1nccc2c1[nH]c1c2cccc1	0.32	0.0
Compound_514	OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@@H]3[C@H](C)[C@@]3(O4)CC[C@@H](CN3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O	0.05	0.0
Compound_515	OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@@H]3[C@H](C)[C@@]3(O4)CC[C@@H](CN3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O	0.05	0.0
Compound_516	OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@@H]3[C@H](C)[C@@H]3N4C[C@H](CC3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O	0.05	0.0
Compound_517	OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@@H]3[C@H](C)[C@@H]3N4C[C@H](CC3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O	0.04	0.0
Compound_518	OC[C@H]1O[C@@H](OC2CC[C@]3(C(=CC[C@@H]4C3CC[C@]3([C@H]4C[C@H]4[C@@H]3[C@H](C)[C@@H]3N4C[C@H](CC3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O	0.05	0.0
Compound_519	OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@@H]3[C@H](C)[C@@H]3N4C[C@H](CC3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O)O)O	0.07	0.0
Compound_520	C[C@@H]1CC[C@@]2(NC1)O[C@@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC[C@@H]3[C@]([C@H]1CC2)(C)CC[C@@H](C3)O)C	0.01	0.0
Compound_521	C[C@H]1CC[C@]2(NC1)O[C@@H]1[C@H]([C@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC=C3[C@]([C@H]1CC2)(C)CC[C@@H](C3)O)C	0.06	0.0
Compound_522	C[C@@H]1CC[C@@]2(N(C1)C)O[C@@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC=C3[C@]([C@H]1CC2)(C)CC[C@@H](C3)O)C	0.13	0.0
Compound_523	N[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1C[C@@H]1[C@@H]2[C@H](C)[C@@H]2[C@](O1)(O)C[C@H](CN2)C)C)C	0.01	0.0
Compound_524	CO[C@H]1C[C@@]2(O)[C@H]3[C@H]([C@@H]1C[C@H]3[C@@]13C4[C@]2(O)[C@@H](OC)[C@@H]1[C@@](CN4CC)(CO)CC[C@@H]3OC)OC	0.01	0.0
Compound_525	COC[C@]12CC[C@@H]([C@@]34[C@@H]2[C@@H](OC)[C@@H](C3N(C1)CC)[C@@]1([C@@H]2[C@H]4C[C@@H]([C@@H]2O)[C@H](C1)OC)O)O	0.01	0.0
Compound_526	COC[C@@]12CN(CC)C3[C@]4([C@@H]2[C@@H](OC)[C@@H]3[C@@]2([C@@H]3[C@H]4C[C@@]([C@@H]3O)([C@H]([C@@H]2O)OC)O)O)[C@H](C[C@H]1O)OC	0.01	0.0
Compound_527	COC[C@@]12CN(CC)C3[C@]4([C@@H]2[C@@H](OC)[C@@H]3[C@@]2([C@@H]3[C@H]4C[C@@]([C@@H]3OC(=O)c3ccccc3)([C@H]([C@@H]2O)OC)O)O)[C@H](C[C@H]1O)OC	0.03	0.0
Compound_528	COC[C@@]12CN(C)C3[C@]4([C@@H]2[C@@H](OC)[C@@H]3[C@@]2([C@@H]3[C@H]4C[C@@]([C@@H]3O)([C@H]([C@@H]2O)OC)O)O)[C@H](C[C@H]1O)OC	0.01	0.0
Compound_529	COC[C@@]12CN(C)C3[C@]4([C@@H]2[C@@H](OC)[C@@H]3[C@@]2([C@@H]3[C@H]4C[C@@]([C@@H]3OC(=O)c3ccccc3)([C@H]([C@@H]2O)OC)O)O)[C@H](C[C@H]1O)OC	0.01	0.0
Compound_530	COC[C@]12CC[C@@H]([C@@]34[C@@H]2[C@@H](OC)[C@@H](C3N(C1)C)[C@@]1([C@@H]2[C@H]4C[C@@]([C@@H]2OC(=O)c2ccccc2)([C@H]([C@@H]1O)OC)O)OC(=O)C)OC	0.03	0.0
Compound_531	COC[C@]12CC[C@@H]([C@@]34[C@@H]2[C@@H](OC)[C@@H](C3N(C1)C)[C@@]1([C@@H]2[C@H]4C[C@@]([C@@H]2O)([C@H]([C@@H]1O)OC)O)O)OC	0.01	0.0
Compound_532	COC[C@]12CC[C@@H]([C@@]34[C@@H]2[C@@H](OC)[C@@H](C3N(C1)C)[C@@]1([C@@H]2[C@H]4C[C@@]([C@@H]2OC(=O)c2ccccc2)([C@H]([C@@H]1O)OC)O)O)OC	0.01	0.0
Compound_533	CCN1C[C@]2(C)CC[C@@H]([C@]34C1[C@H](C[C@H]23)[C@]12[C@H]4C[C@@H](C(C1)C(=C)[C@H]2O)O)O	0.01	0.0
Compound_534	CCN1C[C@]2(C)CC[C@@H]([C@]34[C@H]1[C@H](C[C@H]23)[C@]12[C@H]4CC(=O)[C@H](C1)C(=C)[C@H]2O)O	0.01	0.0
Compound_535	CO[C@H]1C[C@@]2(O)[C@H]3[C@H]([C@@H]1C[C@H]3[C@@]13C4[C@@H]2C[C@@H]1[C@H](CN4CC)CC[C@@H]3OC)O	0.01	0.0
Compound_536	COC[C@@]12CN(C)C3[C@]4([C@@H]2[C@@H](OC)[C@@H]3[C@@]2([C@@H]3[C@H]4C[C@@]([C@@H]3OC(=O)c3ccccc3)([C@H]([C@@H]2O)OC)O)OC)[C@H](C[C@H]1O)OC	0.01	0.0
Compound_537	COC[C@@]12CN(CC)C3[C@]4([C@@H]2[C@@H](OC)[C@@H]3[C@@]2([C@@H]3[C@H]4C[C@@]([C@@H]3OC(=O)c3ccc(cc3)OC)([C@H](C2)OC)O)OC(=O)C)[C@H](C[C@H]1O)OC	0.09	0.0
Compound_538	COC[C@]12CC[C@@H]([C@@]34[C@@H]2C[C@@H](C3N(C1)CC)[C@@]1([C@@H]2[C@H]4C[C@@H]([C@@H]2O)[C@H](C1)OC)O)OC	0.01	0.0
Compound_539	COC[C@]12CC[C@@H]([C@@]34[C@@H]2C[C@@H]([C@H]3N(C1)CC)[C@@]1([C@@H]2[C@H]4C[C@@H]([C@@H]2OC(=O)C)[C@H](C1)OC)O)OC	0.01	0.0
Compound_540	C=C1[C@H]2CC[C@@]3([C@@H]1O)[C@@H](C2)[C@@]12CCC[C@]([C@H]2CC3)(CN2[C@H]1OCC2)C	0.04	0.0
Compound_541	CCN1C[C@@]2(CC[C@@H]([C@]34C1[C@H](C[C@H]23)[C@@]1(O)C[C@@H]([C@H]2C[C@@H]4[C@]1(O)[C@H]2OC)OC)OC)OC(=O)c1ccccc1NC(=O)C	0.01	0.0
Compound_542	CO[C@H]1[C@@H]2[C@]3(CC[C@@H]([C@@]42C([C@@]1(O)[C@@]1(O)C[C@@H]([C@H]2C[C@@H]4[C@@H]1[C@H]2OC)OC)N(C3)CC)OC)COC(=O)c1ccccc1N1C(=O)CCC1=O	0.01	0.0
Compound_543	Oc1cnc2c3c1c1ccccc1n3c(=O)cc2	0.35	0.0
Compound_544	CCN1C[C@]2(C)CC[C@@H]([C@]34C1[C@H](C[C@H]23)[C@@]1(O)C[C@@H]([C@H]2C[C@@H]4[C@@H]1[C@H]2O)OC)O	0.01	0.0
Compound_545	CO[C@H]1C[C@@]23OCO[C@]43[C@@H](O)[C@H]3[C@@]5([C@@H]6C[C@H]1[C@@H]([C@H]26)OC)C4N(CC)C[C@]3(C)CC[C@@H]5OC	0.03	0.0
Compound_546	CO[C@H]1C[C@@]23OCO[C@]43[C@@H](OC(=O)C)[C@H]3[C@@]5([C@@]6(C[C@H]1[C@@H]([C@H]26)OC)O)C4N(CC)C[C@]3(C)CC[C@@H]5OC	0.05	0.0
Compound_547	CO[C@H]1[C@@H]2[C@]3(CC[C@@H]([C@@]42C([C@@]1(O)[C@@]1(O)C[C@@H]([C@H]2C[C@@H]4[C@@H]1[C@H]2OC)OC)N(C3)CC)OC)COC(=O)c1ccccc1N	0.01	0.0
Compound_548	COC[C@]12CC[C@@H]([C@@]34[C@@H]2[C@H](OC)[C@](C3N(C1)CC)(O)[C@@]1([C@@H]2[C@H]4C[C@@H]([C@@H]2O)[C@H](C1)OC)O)O	0.01	0.0
Compound_549	COC[C@]12CC[C@@H]([C@@]34[C@@H]2[C@H](OC)[C@]([C@H]3N(C1)CC)(O)[C@@]1([C@@H]2[C@H]4C[C@@H]([C@@H]2OC)[C@H](C1)OC)O)O	0.01	0.0
Compound_550	COC[C@]12CC[C@@H]([C@@]34[C@@H]2[C@@H](O)[C@]([C@H]3N(C1)CC)(O)[C@@]1([C@@H]2[C@H]4C[C@@H]([C@@H]2OC)[C@H](C1)OC)OC)O	0.01	0.0
Compound_551	CO[C@H]1[C@@H]2[C@]3(CC[C@@H]([C@@]42[C@@H]([C@@]1(O)[C@@]1(O)C[C@@H]([C@H]2C[C@@H]4[C@@H]1[C@H]2OC)OC)N(C3)CC)OC)COC(=O)c1ccccc1NC(=O)C	0.02	0.0
Compound_552	COC[C@]12CC[C@@H]([C@@]34[C@@H]2[C@@H](OC)[C@@H](C3N(C1)CC)[C@@]1([C@@H]2[C@H]4C[C@@H]([C@@H]2OC(=O)C)[C@H](C1)OC)OC(=O)C)O	0.02	0.0
Compound_553	CO[C@H]1[C@@H]2[C@@]3(CO)CC[C@@H]([C@@]42[C@@H]([C@@]1(O)[C@@]1(O)C[C@@H]([C@H]2C[C@@H]4[C@@H]1[C@H]2OC)OC)N(C3)CC)O	0.01	0.0
Compound_554	COC[C@]12CC[C@@H]([C@@]34[C@@H]2[C@@H](O)[C@]([C@H]3N(C1)CC)(O)[C@@]1([C@@H]2[C@H]4C[C@@H]([C@@H]2OC(=O)C)[C@H](C1)OC)OC)O	0.02	0.0
Compound_555	CCN1C[C@@]2(CC[C@@H]([C@]34C1[C@]1(OCO[C@@]51[C@@H]1[C@H]4C[C@@H]([C@@H]1OC)[C@H](C5)OC)[C@H]([C@H]23)OC)OC)COC(=O)c1ccccc1N1C(=O)CC(C1=O)C	0.04	0.0
Compound_556	CO[C@H]1C[C@@]23OCO[C@]43[C@@H](O)[C@H]3[C@@]5([C@@H]6C[C@H]1[C@@H]([C@H]26)O)C4N(CC)C[C@]3(C)CC[C@@H]5OC	0.03	0.0
Compound_557	CO[C@H]1C[C@@]23OCO[C@]43[C@@H](O)[C@H]3[C@@]5([C@@]6(C[C@H]1[C@@H]([C@H]26)OC)O)[C@@H]4N(CC)C[C@]3(C)CC[C@@H]5OC	0.04	0.0
Compound_558	CO[C@H]1C[C@@]23OCO[C@]43[C@@H](OC)[C@H]3[C@@]5([C@@H]6C[C@H]1[C@@H]([C@H]26)OC)[C@@H]4N(CC)C[C@]3(CO)CC[C@@H]5OC	0.03	0.0
Compound_559	CO[C@H]1CC[C@@]2([C@@H]3[C@]41C(N(C2)CC)[C@@]1([C@H]3OC(=O)C)OCO[C@@]21[C@@H]1[C@@]4(O)C[C@@H]([C@@H]1OC)[C@H](C2)O)C	0.05	0.0
Compound_560	CO[C@H]1CC[C@@]2([C@@H]3[C@@]41[C@@H]1C[C@H]5[C@@H]([C@@H]1[C@@]1([C@]([C@H]4N(C2)CC)([C@H]3O)OCO1)C[C@@H]5O)OC)C	0.04	0.0
Compound_561	O[C@H]1C[C@@]2(C)CN3C4[C@@]5(C1)[C@@H]2C3C[C@]12[C@H]5[C@H](O)[C@H]([C@@H](C41)O)C(=C)C2	0.03	0.0
Compound_562	COc1ccc2c(c1)[nH]c1c2CCN[C@@H]1C	0.01	0.0
Compound_563	C=C1[C@H]2CC[C@@]3([C@@H]1O)[C@@H](C2)[C@@]12CCC[C@]([C@H]2CC3)(CN=C1)C	0.12	0.0
Compound_564	OCCN1C[C@]2(C)CCC[C@]3(C1)[C@@H]2CC[C@]12[C@H]3C[C@H](CC1)C(=C)[C@H]2O	0.02	0.0
Compound_565	OCCN1C[C@@]23CCC[C@@](C1=O)([C@H]2CC[C@]12[C@H]3C[C@H](CC1)C(=C)[C@H]2O)C	0.03	0.0
Compound_566	C=C1[C@H]2CC[C@@]3([C@@H]1O)[C@@H](C2)[C@@]12CCC[C@]([C@H]2CC3)(C=NC1)C	0.12	0.0
Compound_567	CCN1C[C@@]2(CC[C@@H]([C@]34C1[C@](O)([C@H]([C@H]23)OC)[C@@]1([C@@H]2[C@H]4C[C@@H]([C@@H]2OC(=O)C)[C@H](C1)OC)O)OC)COC(=O)c1ccccc1N1C(=O)C[C@@H](C1=O)C	0.02	0.0
Compound_568	CCN1C[C@@]2(CC[C@@H]([C@]34C1[C@](O)([C@H]([C@H]23)OC)[C@@]1([C@@H]2[C@H]4C[C@@H]([C@@H]2O)[C@H](C1)OC)O)OC)COC(=O)c1ccccc1N1C(=O)C[C@@H](C1=O)C	0.01	0.0
Compound_569	COC[C@]12CC[C@@H]([C@@]34[C@@H]2[C@@H](OC)[C@@H]([C@H]3N(C1)CC)[C@@]1([C@@H]2[C@H]4C[C@@]([C@@H]2OC(=O)c2ccc(cc2)OC)([C@H](C1)OC)O)OC(=O)C)OC	0.14	0.0
Compound_570	C=C[C@H]1[C@@H](OC=C2[C@H]1C[C@@H]1[S@@](=O)CCN1C2=O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.06	0.0
Compound_571	C[C@H]1CCc2c1cncc2C	0.66	1.0
Compound_572	COCc1cncc2c1CC[C@@H]2C	0.58	1.0
Compound_573	C[C@@H]1CC[C@H](N2[C@H]1CC[C@]1(C2)CS[C@@]2(C1)CC[C@@H]1N(C2)[C@@H](CC[C@H]1C)c1cocc1)c1cocc1	0.02	0.0
Compound_574	C[C@@H]1CC[C@H](N2[C@H]1CC[C@]1(C2)CS[C@]2(C1)CC[C@@H]1N([C@@H]2O)[C@@H](CC[C@H]1C)c1cocc1)c1cocc1	0.01	0.0
Compound_575	C[C@@H]1CC[C@H](N2[C@H]1CC[C@]1(C2)CS[C@@]2(C1)CC[C@@H]1N([C@@H]2O)[C@@H](CC[C@H]1C)c1cocc1)c1cocc1	0.01	0.0
Compound_576	C[C@@H]1CC[C@H](N2[C@H]1CC[C@@]1(C2)SC[C@]2(C1)CC[C@@H]1N([C@@H]2O)[C@@H](CC[C@H]1C)c1cocc1)c1cocc1	0.01	0.0
Compound_577	C[C@@H]1CC[C@H](N2[C@H]1CC[C@]1([C@H]2O)CS[C@]2(C1)CC[C@@H]1N([C@@H]2O)[C@@H](CC[C@H]1C)c1cocc1)c1cocc1	0.02	0.0
Compound_578	C[C@@H]1CC[C@H](N2[C@H]1CC[C@@]1(C2)CS[C@@]2(C1)CC[C@@H]1N(C2)[C@@H](CC[C@H]1C)c1cocc1)c1cocc1	0.02	0.0
Compound_579	C[C@@H]1CC[C@H](N2[C@H]1CC[C@]1(C2)CS(=O)[C@]2(C1)CC[C@@H]1N(C2)[C@@H](CC[C@H]1C)c1cocc1)c1cocc1	0.07	0.0
Compound_580	C[C@H]1CC[C@@H]2N(C1)[C@@H](CC[C@H]2C)c1ccoc1	0.04	0.0
Compound_581	C[C@@H]1CC[C@@H]2N(C1)[C@@H](CC[C@H]2C)c1ccoc1	0.04	0.0
Compound_582	C[C@@H]1CC[C@H](N2[C@H]1CC[C@@](C2)(C)O)c1cocc1	0.0	0.0
Compound_583	O=CC1=CN2C(CC1)C(CO)CCC2c1ccoc1	0.02	0.0
Compound_584	COc1cc(ccc1OC)C(=O)OC1CC2CCC(C1)N2	0.02	0.0
Compound_585	CN1[C@@H]2C[C@H](C[C@H]1[C@H]1[C@@H]2O1)OC(=O)C(=C)c1ccccc1	0.02	0.0
Compound_586	CN1C2CCC1C[C@@H](C2)OC(=O)[C@H]1CC[C@](c2c1cccc2)(C(=O)O[C@@H]1CC2CCC(C1)N2C)c1ccccc1	0.0	0.0
Compound_587	C/C=C(/C(=O)OC1C[C@@H]2[C@H]([C@H]([C@H](C1)N2C)O)O)\C	0.03	0.0
Compound_588	OC[C@H](c1ccccc1)C(=O)O[C@@H]1CC2CCC(C1)N2	0.01	0.0
Compound_589	OC[C@@]1(O)CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3	0.01	0.0
Compound_590	C/C=C(/C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C)\C	0.02	0.0
Compound_591	CC(=O)OC1C[C@@H]2CC[C@H](C1)N2C	0.01	0.0
Compound_592	O[C@@H]1CC2CC[C@@]([C@H]1O)(N2)O	0.01	0.0
Compound_593	O[C@@H]1[C@@H](O)C[C@]2(N[C@@H]1CC2)O	0.01	0.0
Compound_594	O[C@H]1CC[C@@H]2N[C@@]1(O)[C@@H](O)C2	0.01	0.0
Compound_595	O[C@@H]1C[C@@]2(N[C@H]1C[C@H]([C@@H]2O)O)O	0.02	0.0
Compound_596	O[C@H]1C2CC[C@](N2)([C@@H]([C@@H]1O)O)O	0.01	0.0
Compound_597	CN1C[C@@](C)(O)C=C2[C@H]1Cc1c[nH]c3c1c2ccc3	0.02	0.0
Compound_598	O[C@@H]1C2CC[C@](N2)([C@H]([C@@H]1O)O)O	0.01	0.0
Compound_599	O[C@@H]1C[C@]2(N[C@@H]1[C@@H](O)[C@@H]([C@H]2O)O)O	0.01	0.0
Compound_600	O[C@H]1[C@H]2CC[C@](N2)([C@H]([C@@H]1O)O)N	0.01	0.0
Compound_601	COc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)CC(=O)C	0.37	0.0
Compound_602	COC1=C[C@@H]2[C@H](C1=O)C1=C2c2c(CC[C@@H]1NC(=O)C)cc(c(c2OC)OC)OC	0.09	0.0
Compound_603	COc1cc(CNC(=O)CCCC/C=C/CC(C)C)ccc1O	0.09	0.0
Compound_604	CCC(/C=C/CCCCC(=O)NCc1ccc(c(c1)OC)O)C	0.12	0.0
Compound_605	CCC(CCCCCCC(=O)NCc1ccc(c(c1)OC)O)C	0.1	0.0
Compound_606	OCC(=CCN=C(N)N)C	0.07	0.0
Compound_607	CN(CCc1[nH]cnc1)C	0.01	0.0
Compound_608	Oc1ccc(cc1)CC[N+](C)(C)C	0.06	0.0
Compound_609	COc1ccc2c(c1)N(C)[C@@H]1[C@@]32CCN2[C@H]3[C@@]([C@H]([C@]1(O)C(=O)OC)O)(CC)C=CC2	0.09	0.0
Compound_610	O[C@H]([C@@H](N(C)C)C)c1ccccc1	0.01	0.0
Compound_611	N[C@H](C(=O)O)CNC(=O)C(=O)O	0.02	0.0
Compound_612	N[C@H](C(=O)O)CC#N	0.02	0.0
Compound_613	OC(=O)NCC[C@@H](C(=O)O)N	0.05	0.0
Compound_614	COC(=O)[C@@H]1C[C@]23[C@H]([C@]41Nc1c([C@@]54[C@H]3N(CC5)CC=C2)cccc1)C	0.02	0.0
Compound_615	OC(=O)[C@H](Cn1ccc(=O)o1)N	0.0	0.0
Compound_616	OC(=O)[C@H](CCn1ccc(=O)o1)N	0.01	0.0
Compound_617	OC(=O)C(Cn1ccc(=O)o1)N	0.0	0.0
Compound_618	N[C@H](C(=O)O)CCC(=O)N[C@H](C(=O)O)CC#N	0.02	0.0
Compound_619	N#CCCNC(=O)CC[C@@H](C(=O)O)N	0.04	0.0
Compound_620	C/C=C/S(=O)C[C@@H](C(=O)O)N	0.02	0.0
Compound_621	COC(=O)[C@@]1(O)[C@H](OC(=O)C)[C@]2(CC)C=CCN3[C@@H]2[C@@]2([C@H]1N(C)c1c2cccc1)CC3	0.12	0.0
Compound_622	N[C@H](C(=O)O)C[S@@](=O)CC=C	0.02	0.0
Compound_623	OC[C@H]1O[C@@H](O/C(=C(\CC(=O)O)/C=CC(=O)O)/C#N)[C@@H]([C@H]([C@@H]1O)O)O	0.43	0.0
Compound_624	OC[C@H]1O[C@@H](O[C@@H](C(C)C)C#N)[C@@H]([C@H]([C@@H]1O)O)O	0.44	0.0
Compound_625	OC[C@H]1O[C@@H](O[C@H](C(C)C)C#N)[C@@H]([C@H]([C@@H]1O)O)O	0.44	0.0
Compound_626	OC[C@H]1O[C@@H](O[C@@](C#N)(CC)C)[C@@H]([C@H]([C@@H]1O)O)O	0.69	1.0
Compound_627	OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@@](C#N)(CC)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O	0.53	1.0
Compound_628	OC[C@H]1O[C@@H](O[C@@H](c2ccccc2)C#N)[C@@H]([C@H]([C@@H]1O)O)O	0.3	0.0
Compound_629	OC[C@H]1O[C@@H](O[C@](C#N)(CC)C)[C@@H]([C@H]([C@@H]1O)O)O	0.69	1.0
Compound_630	N#C[C@@H](c1ccccc1)O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H]([C@@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O	0.45	0.0
Compound_631	CCCC(/C=C/C#CC#C/C=C/C)O	0.91	1.0
Compound_632	CC/C=C/C=C/C#CC#C/C=C/CO	0.93	1.0
Compound_633	CCCCCCCC=CCC#CC#C[C@H](C=C)O	0.95	1.0
Compound_634	C=CCCCC=CC=CCC#CC#C[C@@H](C=C)O	0.94	1.0
Compound_635	CCCCCCCC=C[C@@H](C#CC#C[C@@H](C=C)O)O	0.95	1.0
Compound_636	CCCCCCCC=CCC#CC#CC(=O)C=C	0.97	1.0
Compound_637	CCCCCCCC=CC(C#CC#CC(=O)C=C)O	0.96	1.0
Compound_638	CCCC/C=C/C=C/C=C/C#CC#CCCCO	0.98	1.0
Compound_639	CCCC(/C=C/C=C/C=CC#CC#CCCCO)O	0.94	1.0
Compound_640	CCCCC[C@@H](/C=C/C=C/C#CC#CCCCO)O	0.97	1.0
Compound_641	CCCCCCCC=C[C@@H](C#CC#CCCCO)O	0.96	1.0
Compound_642	CCCCCCC[C@@H](/C=C/C#CC#CCCCO)O	0.97	1.0
Compound_643	CCCC(=O)CC/C=C/C=C/C#CC#CCCCO	0.96	1.0
Compound_644	CCCCCC(/C=C/C=C/C#CC#CCCCO)O	0.97	1.0
Compound_645	CCC[C@H](CC/C=C/C=C/C#CC#CCCCO)O	0.95	1.0
Compound_646	CCCCCCC=CC=CC#CC#CC=CCO	0.97	1.0
Compound_647	CCCC(=O)CC/C=C/C=C/C#CC#C/C=C/C	0.86	1.0
Compound_648	COC(=O)[C@@]12O[C@H]3[C@]([C@H]1OC(=O)C)(CC)[C@H]1[C@@]4([C@H]2N(C)c2c4cccc2)CCN1CC3	0.01	0.0
Compound_649	OC[C@H]1O[C@@H](S/C(=N\OS(=O)(=O)O)/C)[C@@H]([C@H]([C@@H]1O)O)O	0.05	0.0
Compound_650	C=CCC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.04	0.0
Compound_651	CCCCC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.03	0.0
Compound_652	C=CCCC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.03	0.0
Compound_653	C=C[C@@H](CC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O	0.05	0.0
Compound_654	C=CCCCC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.07	0.0
Compound_655	C=CC[C@@H](CC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O	0.05	0.0
Compound_656	CSCCC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.05	0.0
Compound_657	CSCCCC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.04	0.0
Compound_658	OC[C@H]1O[C@@H](SC(=NOS(=O)(=O)O)CCCS(=O)C)[C@@H]([C@H]([C@@H]1O)O)O	0.04	0.0
Compound_659	OC[C@H]1O[C@@H](SC(=NOS(=O)(=O)O)CCCS(=O)(=O)C)[C@@H]([C@H]([C@@H]1O)O)O	0.05	0.0
Compound_660	CSCCCCC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.04	0.0
Compound_661	OC[C@H]1O[C@@H](SC(=NOS(=O)(=O)O)CCCCS(=O)(=O)C)[C@@H]([C@H]([C@@H]1O)O)O	0.05	0.0
Compound_662	CS/C=C/CC([C@@]1(S)O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)C(=O)NOS(=O)(=O)O	0.11	0.0
Compound_663	CSCCCCCC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.04	0.0
Compound_664	OC[C@H]1O[C@@H](SC(=NOS(=O)(=O)O)CCCCCS(=O)C)[C@@H]([C@H]([C@@H]1O)O)O	0.04	0.0
Compound_665	OC[C@H]1O[C@@H](SC(=NOS(=O)(=O)O)Cc2ccccc2)[C@@H]([C@H]([C@@H]1O)O)O	0.06	0.0
Compound_666	OC[C@H]1O[C@@H](SC(=NOS(=O)(=O)O)Cc2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O	0.12	0.0
Compound_667	OC[C@H]1O[C@@H](SC(=NOS(=O)(=O)O)Cc2ccc(cc2)OC)[C@@H]([C@H]([C@@H]1O)O)O	0.14	0.0
Compound_668	OC[C@H]1O[C@@H](SC(=NOS(=O)(=O)O)CCc2ccccc2)[C@@H]([C@H]([C@@H]1O)O)O	0.05	0.0
Compound_669	CCC(/C(=N/OS(=O)(=O)O)/S[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)C	0.05	0.0
Compound_670	OC[C@H]1O[C@@H](SC(=NOS(=O)(=O)O)Cc2c[nH]c3c2cccc3)[C@@H]([C@H]([C@@H]1O)O)O	0.05	0.0
Compound_671	OC[C@H]1O[C@@H](S/C(=N\OS(=O)(=O)O)/Cc2cn(c3c2cccc3)OC)[C@@H]([C@H]([C@@H]1O)O)O	0.1	0.0
Compound_672	OC[C@H]1O[C@@H](SC(=NOS(=O)(=O)O)Cc2c[nH]c3c2c(O)ccc3)[C@@H]([C@H]([C@@H]1O)O)O	0.05	0.0
Compound_673	CSCCCCCCC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.03	0.0
Compound_674	OC[C@H]1O[C@@H](SC(=NOS(=O)(=O)O)CC(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.04	0.0
Compound_675	COC(=O)C1=C2Nc3c([C@@]42[C@@H]2[C@@](C1)(CC)[C@H]1O[C@H]1CN2CC4)cccc3	0.01	0.0
Compound_676	OC[C@H]1O[C@@H](SC(=NOS(=O)(=O)O)Cc2c[nH]c3c2c(OC)ccc3)[C@@H]([C@H]([C@@H]1O)O)O	0.04	0.0
Compound_677	OC[C@H]1O[C@@H](SC(=NOS(=O)(=O)O)CC(O)(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.04	0.0
Compound_678	OC[C@H]1O[C@@H](Oc2ccc(cc2)OC)[C@@H]([C@H]([C@@H]1O)O)O	0.34	0.0
Compound_679	Oc1c(C2CCCCN2)c(O)c2c3c1C(=O)c1c(O)cc(c4c1c3c1c3c2c(O)c(C2CCCCN2)c(c3C(=O)c2c1c4c(C)cc2O)O)C	0.04	0.0
Compound_680	Cc1cc(O)c2c(c1)c1c3c4cc(C)cc(c4C(=O)c4c3c(c3c1c(C2=O)c(O)c(c3O)C1CCCCN1)c(c(c4O)C1CCCCN1)O)O	0.06	0.0
Compound_681	CC[C@@]12CN3CCc4c([C@@](C[C@@H]([C@H]2O1)C3)(C(=O)OC)c1cc2c(cc1OC)N([C@@H]1[C@@]32CCN2[C@H]3[C@@](CC)(C=CC2)[C@H]([C@]1(O)C(=O)OC)OC(=O)C)C)[nH]c1c4cccc1	0.01	0.0
Compound_682	COc1cc2N(C)[C@@H]3[C@@]4(c2cc1[C@]1(C[C@@H]2CN(CCc5c1[nH]c1c5cccc1)C[C@@](C2)(O)CC)C(=O)OC)CCN1[C@H]4[C@@]([C@H]([C@]3(O)C(=O)OC)OC(=O)C)(CC)C=CC1	0.04	0.0
Compound_683	Oc1cc(O)c2c3c1C(=O)c1c(O)cc4c5c1c3c1c3c2c(O)cc(c3C(=O)c2c1c5c(CC4)cc2O)O	0.97	1.0
Compound_684	OC[C@H]1O[C@@H](Oc2cccc3c2C(=O)c2c(C3=O)cc(cc2O)C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O	0.63	1.0
Compound_685	OC[C@H]1O[C@@H](Oc2cc(O[C@@H]3OC[C@]([C@H]3O)(O)CO)cc3c2C(=O)c2c(C3)cc(cc2O)C)[C@@H]([C@H]([C@@H]1O)O)O	0.44	0.0
Compound_686	OC[C@H]1O[C@@H](Oc2cc(O)cc3c2C(=O)c2c(C3=O)cc(cc2O)C)[C@@H]([C@H]([C@@H]1O)O)O	0.81	1.0
Compound_687	OC[C@@]1(O)CO[C@H]([C@@H]1O)Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C	0.62	1.0
Compound_688	COC(=O)C1=C2Nc3c([C@@]42[C@@H]2[C@](C1)(C=CCN2CC4)C(O)C)cccc3	0.01	0.0
Compound_689	OCc1c(O[C@@H]2O[C@H](CO[C@@H]3OC[C@H]([C@@H]([C@H]3O)O)O)[C@H]([C@@H]([C@H]2O)O)O)cc2c(c1O)C(=O)c1c(C2=O)cccc1	0.48	0.0
Compound_690	CC(=O)c1c(C)cc2c(c1O)c(O)c(cc2)c1ccc2c(c1O)c(O)c(c(c2)C)C(=O)C	0.99	1.0
Compound_691	N#C/C=C\1/C=C[C@H](C[C@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O	0.87	1.0
Compound_692	OC[C@H]1O[C@@H](OCC(=CC#N)CO)[C@@H]([C@H]([C@@H]1O)O)O	0.82	1.0
Compound_693	OC[C@H]1O[C@@H](OC/C(=C\C#N)/C)[C@@H]([C@H]([C@@H]1O)O)O	0.92	1.0
Compound_694	OC[C@H]1O[C@@H](OC(CC#N)(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.51	1.0
Compound_695	O=C(OC[C@H]1O[C@@H](OCCc2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)/C=C/c1ccc(c(c1)O)O	0.62	1.0
Compound_696	COC(=O)C1=C2Nc3c([C@@]42[C@@H]2[C@@](C1)(CC)C=CCN2CC4)ccc(c3)O	0.1	0.0
Compound_697	COc1ccc2c(c1)NC1=C(C[C@]3([C@H]4[C@@]21CCN4CC=C3)CC)C(=O)OC	0.11	0.0
Compound_698	C=CCC=CCC=CCCCCCCCC1=C(O)C(=O)C=C(C1=O)OC	0.81	1.0
Compound_699	C=CC/C=C/C/C=C/CCCCCCCC1=C(O)C(=O)C=C(C1=O)OCC	0.78	1.0
Compound_700	OCC1=CCc2c(OC1)cc(c1c2oc(C)cc1=O)O	0.31	0.0
Compound_701	OC[C@H]1O[C@@H](OCC2=CCc3c(OC2)cc(c2c3oc(C)cc2=O)O)[C@@H]([C@H]([C@@H]1O)O)O	0.78	1.0
Compound_702	C/C(=C\COc1ccc2c(c1)oc(=O)cc2)/CCC=C(C)C	0.67	1.0
Compound_703	OC[C@H]1O[C@@H](Oc2ccccc2/C=C/C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O	0.39	0.0
Compound_704	C/C=C(\C(=O)O[C@@H](C(O)(C)C)COc1c2ccoc2cc2c1ccc(=O)o2)/C	0.57	1.0
Compound_705	O=c1ccc2c(o1)cc1c(c2OCC2OC2(C)C)cco1	0.56	1.0
Compound_706	CON1c2ccccc2[C@]2(C1=O)[C@@H]1OC[C@@H]3[C@@H]4[C@H]2[C@@]([C@@H]3C1)(C=C)CN4C	0.02	0.0
Compound_707	O=c1ccc2c(o1)cc1c(c2)C[C@H](O1)C(O)(C)C	0.78	1.0
Compound_708	C/C=C(\C(=O)O[C@@H]1c2c(OC1C(OC(=O)C(=CC)C)(C)C)ccc1c2oc(=O)cc1)/C	0.79	1.0
Compound_709	O=c1ccc2c(o1)cc1c(c2OC[C@H](C(O)(C)C)O)cco1	0.54	1.0
Compound_710	O=c1ccc2c(o1)c(O)c1c(c2)C[C@H](O1)C(O)(C)C	0.69	1.0
Compound_711	CC[C@H]1N[C@@H]2[C@@H]3[C@H]1C[C@H]([C@]1(C2)c2ccccc2N(C1=O)OC)OC3	0.02	0.0
Compound_712	C=CC(c1cc2cc3C[C@H](Oc3cc2oc1=O)C(OC(=O)C)(C)C)(C)C	0.88	1.0
Compound_713	OC[C@H]1O[C@@H](Oc2c3O[C@@H](Cc3cc3c2oc(=O)cc3)C(O)(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.41	0.0
Compound_714	COc1cc(cc(c1OC)OC)[C@H]1[C@H]2C(=O)OC[C@@H]2Cc2c1cc1OCOc1c2	0.84	1.0
Compound_715	COc1cc(cc(c1OC)OC)[C@H]1[C@H]2C(=O)OC[C@@H]2C(=O)c2c1cc1OCOc1c2	0.81	1.0
Compound_716	C1CCc2c(C1)cc1n(c2)ccc2c1nc1c2cccc1	0.05	0.0
Compound_717	CCCC(=O)c1c(O)cc(c(c1O)C)OC	0.88	1.0
Compound_718	CCCC(=O)C1=C(O)C(=C(C(C1=O)(C)C)O)Cc1c(O)c(C)c(c(c1O)C(=O)CCC)OC	0.39	0.0
Compound_719	CCCC(=O)c1c(O)c(CC2=C(O)C(C(=O)C(=C2O)C(=O)CC)(C)C)c(c(c1OC)C)O	0.38	0.0
Compound_720	CCCC(=O)C1=C(O)C(=C(C(C1=O)(C)C)O)CC1=C(O)C(C(=O)C(=C1O)C(=O)CCC)(C)C	0.13	0.0
Compound_721	CC(=O)C1=C(O)C(=C(C(C1=O)(C)C)O)CC1=C(O)C(C(=O)C(=C1O)C(=O)C)(C)C	0.28	0.0
Compound_722	CCCC1=CC(=O)C(C(=O)O1)CC1=C(O)C(C(=O)C(=C1O)C(=O)CCC)(C)C	0.44	0.0
Compound_723	CCCC(=O)c1c(O)c(CC2=C(O)C(C(=O)C(=C2O)C(=O)CCC)(C)C)c(c(c1O)CC1=C(O)C(C(=O)C(=C1O)C(=O)CCC)(C)C)O	0.18	0.0
Compound_724	O=c1c2CCCCc2cc2n1ccc1c2[nH]c2c1cccc2	0.05	0.0
Compound_725	CC(=CCC1=C(O)C(C(=O)C(=C1O)C(=O)C(C)C)(O)CC=C(C)C)C	0.32	0.0
Compound_726	CCC(C(=O)C1=C(O)C(=C(C(C1=O)(O)CC=C(C)C)O)CC=C(C)C)C	0.29	0.0
Compound_727	CC(=CCC1=C(O)C(C(=O)C(=C1O)C(=O)C(C)C)(CC=C(C)C)CC=C(C)C)C	0.14	0.0
Compound_728	CCC(C(=O)C1=C(O)C(=C(C(C1=O)(CC=C(C)C)CC=C(C)C)O)CC=C(C)C)C	0.14	0.0
Compound_729	CC(=CC[C@@]12C[C@H](CC=C(C)C)[C@@]3([C@](C2=O)(C(=C(C1=O)CC=C(C)C)O[C@@H](CC3)C(O)(C)C)C(=O)C(C)C)C)C	0.44	0.0
Compound_730	CCCCCCC=CCCCCCCCCCc1cccc(c1C(=O)O)O	0.59	1.0
Compound_731	CCCCCCC=CCCCCCCCCCc1cccc(c1)O	0.98	1.0
Compound_732	CCCCCCC=CCCCCCCCc1cccc(c1O)O	0.8	1.0
Compound_733	CCC/C=C/C/C=C/CCCCCCCc1cccc(c1O)O	0.95	1.0
Compound_734	CC=CC=CCC=CCCCCCCCc1cccc(c1O)O	0.94	1.0
Compound_735	CCCCCCC=CCCCCCCCCCC1=CC(=O)C=C(C1=O)OC	0.52	1.0
Compound_736	CC[C@@]12CCCN3[C@H]2c2n([C@H](C1)O)c1c(c2CC3)cccc1	0.28	0.0
Compound_737	CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C	0.03	0.0
Compound_738	CCCCCc1cc2OC(C)(CCC=C(C)C)C=Cc2c(c1C(=O)O)O	0.47	0.0
Compound_739	CCCCCC1=CC(=C2C(C1)(OC(C1C2C=C(C)C=C1)(C)C)C(=O)O)O	0.24	0.0
Compound_740	COC(=O)[C@@]1(O)C[C@]2(CC)CCCN3[C@@H]2c2n1c1cc(OC)ccc1c2CC3	0.08	0.0
Compound_741	CCCc1cc(O)c2c(c1)OC(C1C2C=C(C)CC1)(C)C	0.4	0.0
Compound_742	Oc1cc2O[C@H](c3cc(O)c(c(c3)O)O)[C@H](Cc2c(c1)O)O	0.43	0.0
Compound_743	Oc1cc(O)c2c(c1)O[C@@H]([C@H](C2)OC(=O)c1cc(O)c(c(c1)O)O)c1ccc(c(c1)O)O	0.76	1.0
Compound_744	Oc1cc(O)c2c(c1)O[C@@H]([C@@H](C2)OC(=O)c1cc(O)c(c(c1)O)O)c1ccc(c(c1)O)O	0.76	1.0
Compound_745	Oc1cc(O)c2c(c1)O[C@@H]([C@H](C2)OC(=O)c1cc(O)c(c(c1)O)O)c1cc(O)c(c(c1)O)O	0.75	1.0
Compound_746	C/C=C\1/CN2[C@@H]3C4[C@H]1C[C@H]2[C@H]1[C@@](C4OC(=O)C)(C3)c2c(N1C)ccc(c2)OC	0.03	0.0
Compound_747	Oc1cc(O)c2c(c1)O[C@@H]([C@H]([C@@H]2c1c(O)cc(c2c1O[C@H](c1ccc(c(c1)O)O)[C@H]([C@@H]2c1c(O)cc(c2c1O[C@@H]([C@H](C2)O)c1ccc(c(c1)O)O)O)O)O)O)c1ccc(c(c1)O)O	0.61	1.0
Compound_748	O=C1OC2COC(=O)c3cc(O)c(c(c3c3c(C(=O)OC2C2OC(=O)c4c(c5c1cc(O)c(c5O)O)c(O)c(O)c(c4c1c4C(=O)OC2C(O)c4c(c(c1O)O)O)O)cc(O)c(c3O)O)O)O	0.44	0.0
Compound_749	O=C(c1cc(O)c(c(c1)O)O)O[C@@H]1[C@@H](OC(=O)c2cc(O)c(c(c2)O)O)[C@@H](O[C@H]2[C@H]1OC(=O)c1cc(O)c(c(c1c1c(C(=O)OC2)cc(c(c1O)O)O)O)O)OC(=O)c1cc(O)c(c(c1)O)O	0.71	1.0
Compound_750	COC(=O)C12[C@@H]3C[C@@]4(C2O)c2ccccc2N([C@@H]4[C@H]2N3C/C(=C/C)/[C@@H]1C2)C	0.02	0.0
Compound_751	C/C(=C\Cc1c(O)cc2c(c1O)C(=O)CC(O2)c1ccc(c(c1)O)O)/CCC=C(C)C	0.21	0.0
Compound_752	COC(=O)C12[C@@H]3C[C@]4(C2O)C([C@H]2N3C/C(=C/C)/[C@@H]1C2)Nc1c4cccc1	0.01	0.0
Compound_753	C/C=C\1/CN2[C@H]3C[C@H]1C1([C@@H]2C[C@]2(C1OC(=O)C)[C@@H]3N(C)c1c2cccc1)C(=O)OC	0.03	0.0
Compound_754	COc1ccc2c(c1)C13C[C@H]4[C@@H]([C@H]1OC(=O)C)[C@H]1CC(C3=N2)N4[C@H](C1COC(=O)C)C	0.02	0.0
Compound_755	OC(=O)CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(c2)occ(c3=O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O	0.74	1.0
Compound_756	COc1cc2c(cc1O[C@@H]1O[C@H](COC(=O)CC(=O)O)[C@H]([C@@H]([C@H]1O)O)O)occ(c2=O)c1ccc(cc1)O	0.74	1.0
Compound_757	OC(=O)CC(=O)OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)occ(c3=O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O	0.82	1.0
Compound_758	CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(c2)occ(c3=O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O	0.74	1.0
Compound_759	COc1cc2c(cc1O[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1O)O)O)occ(c2=O)c1ccc(cc1)O	0.64	1.0
Compound_760	CC(=O)OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)occ(c3=O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O	0.76	1.0
Compound_761	OCC(=C)[C@@H]1Oc2c(C1)c1O[C@@H]3COc4c([C@@H]3C(=O)c1cc2)cc(c(c4)OC)OC	0.68	1.0
Compound_762	OCC(=C)C1Oc2c(C1)c1OC3COc4c(C3(C(=O)c1cc2)O)cc(c(c4)OC)OC	0.36	0.0
Compound_763	OCC1OC(OCC(=C)C2Oc3c(C2)c2OC4COc5c(C4(C(=O)c2cc3)O)cc(c(c5)OC)OC)C(C(C1O)O)O	0.54	1.0
Compound_764	COC(=O)[C@]12CO[C@@]34[C@@]2(CCN2[C@H]3C[C@@H]1/C(=C\C)/C2)c1cc(O)ccc1N4C	0.08	0.0
Compound_765	COc1cc2c(cc1OC)OCC1C2C(=O)c2c(O1)c1CC(Oc1cc2)C(=C)CO[C@@H]1OC(CO[C@@H]2OC[C@@H](C(C2O)O)O)[C@H]([C@@H](C1O)O)O	0.5	0.0
Compound_766	OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H](C2)CC[C@@H]2[C@@H]3CC(=O)[C@]3([C@H]2C[C@H]2[C@@H]3[C@H](C)[C@]3(O2)CC[C@H](CO3)C)C)C)[C@@H]([C@H]([C@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)O)O	0.06	0.0
Compound_767	OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H](C2)CC[C@@H]2[C@@H]3CC(=O)[C@]3([C@H]2C[C@H]2[C@@H]3[C@H](C)[C@]3(O2)CC[C@H](CO3)C)C)C)[C@@H]([C@H]([C@H]1O)O)O	0.08	0.0
Compound_768	OC[C@H]1O[C@@H](OC[C@H](CC[C@@]2(O)O[C@@H]3[C@H]([C@@H]2C)[C@@]2([C@@H](C3)[C@@H]3CC[C@H]4[C@]([C@H]3CC2)(C)CC[C@@H](C4)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.17	0.0
Compound_769	OC[C@H]1O[C@@H](OC2CC[C@]3(C(C2)CCC2C3CC[C@]3(C2C[C@H]2[C@@H]3[C@H](C)C3(O2)CC[C@@H](CO3)C)C)C)[C@@H]([C@H]([C@@H]1O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O	0.17	0.0
Compound_770	OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@H]2C[C@H]2[C@@H]3[C@H](C)[C@]3(O2)CC[C@@H](CO3)C)C)C)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@@H](CO)[C@@H]([C@H]([C@@H]1O)O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O	0.17	0.0
Compound_771	OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@H]2C[C@H]2[C@@H]3[C@H](C)[C@@](O2)(O)CC[C@H](CO[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.18	0.0
Compound_772	OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@]3(O)[C@H](C)[C@]3(O4)CC[C@H](CO3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O	0.08	0.0
Compound_773	COCc1c(CO)cnc(c1O)C	0.02	0.0
Compound_774	CCCC1=NCCCC1	0.54	1.0
Compound_775	CCCCCCCCCCCCCCCc1cccc(c1C(=O)O)O	0.55	1.0
Compound_776	C=C1CC[C@@H]2C[C@H]1C2(C)C	0.91	1.0
Compound_777	COc1cc2cc(Oc3ccc4c(c3)oc(=O)cc4)c(=O)oc2cc1O	0.7	1.0
Compound_778	COc1c2cc(OC)ccc2nc2c1cco2	0.78	1.0
Compound_779	O=C1O[C@H]2[C@H]([C@@H]1C)CC[C@](C1=CCC(=C21)C)(C)O	0.19	0.0
Compound_780	Cc1c2[n+](CCc3c2cc2OCOc2c3)cc2c1ccc1c2OCO1	0.68	1.0
Compound_781	COc1cc2oc(=O)c(cc2cc1OC)C(C=C)(C)C	0.82	1.0
Compound_782	CN1Cc2c3OCOc3ccc2c2c1c1cc3OCOc3cc1cc2	0.9	1.0
Compound_783	OC[C@H]1O[C@H](OC(=O)[C@@]23CCC(C[C@@H]3C3=CC[C@H]4[C@@]([C@@]3(CC2)C)(C)CCC2[C@]4(C)CC[C@@H](C2(C)C)O[C@@H]2OC[C@@H]([C@@H]([C@H]2O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)O)O)(C)C)[C@@H]([C@H]([C@@H]1O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.14	0.0
Compound_784	COc1c2c(=O)cc(oc2cc2c1cco2)CO	0.37	0.0
Compound_785	Oc1ccc2c(c1)c1c3OCOc3cc(c1c(c2)N(=O)=O)C(=O)O	0.6	1.0
Compound_786	O=c1ccc2c(o1)c1ccoc1cc2	0.73	1.0
Compound_787	OCc1cc(O)c2c3c1c1c(C)cc(c4c1c1c3c3c(C2=O)c(O)cc(c3c2c1c(C4=O)c(O)cc2O)O)O	0.89	1.0
Compound_788	COc1c(O)cc(c2c1oc(c1ccc(cc1)O)c(c2=O)O)O	0.99	1.0
Compound_789	COC1=CC(=O)c2c(C1=O)ccc1c2ccc(c1OC)O	0.91	1.0
Compound_790	COc1cc2CN3CCC4=C[C@@H]([C@H]([C@@H](c2cc1O)[C@H]34)O)O	0.02	0.0
Compound_791	CC=C(C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@H](O)C)(C(C)C)O)C	0.03	0.0
Compound_792	CC1=CC[C@@H]2[C@@H](C1)[C@@H](CC=C2C)C(C)C	0.53	1.0
Compound_793	C=C1CCC2C(=C)C(=O)OC2C2C(CCC1=O)(C)O2	0.29	0.0
Compound_794	OC[C@H]1O[C@@H](SC(=NOS(=O)(=O)O)C(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.05	0.0
Compound_795	OC[C@H]1O[C@@H](O[C@H]2[C@@H](OC[C@H]([C@@H]2O)O[C@@H]2OC[C@@H]([C@@H]([C@H]2O)O)O)O[C@@H]2[C@@H](O)[C@@H](O[C@@H]([C@H]2O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)C(=O)O)O[C@H]2CC[C@]3([C@H]([C@@]2(C)C=O)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)CC[C@@]2([C@H]3CC(C)(C)CC2)C(=O)O[C@@H]2O[C@H](C)[C@@H]([C@@H]([C@H]2O)O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)O)O[C@@H]2O[C@H](CO)[C@@H]([C@@H]([C@H]2O)O)O)O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)O)C)C)[C@@H]([C@H]([C@H]1O)O)O	0.06	0.0
Compound_796	COC1C=CC2=CCN3C2(C1)c1cc(OC)c(cc1CC3)OC	0.03	0.0
Compound_797	COc1c2ccccc2nc2c1cco2	0.95	1.0
Compound_798	O[C@@H]1C[C@H]2C(=O)[C@@H](C[C@@]34[C@@H]1CCCN4CCC=C23)C	0.03	0.0
Compound_799	O[C@@H]1C[C@H]2C(=O)[C@@H](C[C@@]34[C@@H]1CCCN4CCC[C@H]23)C	0.02	0.0
Compound_800	CCCCCC(=O)N[C@H]([C@H](C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@H]3[C@@](C(=O)[C@@H](C(=C1C)C2(C)C)OC(=O)C)(C)[C@@H](O)C[C@@H]1[C@]3(CO1)OC(=O)C)O)c1ccccc1	0.1	0.0
Compound_801	CN1CC=CC[C@H]1c1cccnc1	0.01	0.0
Compound_802	CC1CCC2C(C(=C)CC(=O)C1)CC2(C)C	0.81	1.0
Compound_803	OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@@H]3[C@H]2C(=C[C@H]3O)COC(=O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O	0.88	1.0
Compound_804	COc1c(oc2c1cc1ccc(=O)oc1c2)C(C)C	0.8	1.0
Compound_805	COc1cc2OCOc2c2c1c1ccc3c(c1[n+](c2)C)cc1c(c3)OCO1	0.74	1.0
Compound_806	O=C[C@]12C[C@H]3O[C@@]4(O)[C@@H](O)C[C@H](O[C@H]4O[C@@H]3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2([C@]1(O)CC[C@@H]2C1=CC(=O)OC1)C)C	0.08	0.0
Compound_807	CO[C@H]1O[C@@H]2c3cc4OCOc4cc3CCN([C@@H]2c2c1c1OCOc1cc2)C	0.08	0.0
Compound_808	C1Oc2c(O1)cc1c(c2)CC[n+]2c1cc1ccc3c(c1c2)OCO3	0.56	1.0
Compound_809	OCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1	0.92	1.0
Compound_810	COc1cc2c(cc1OC)C[C@H]1c3c2c2OCOc2cc3CCN1C	0.47	0.0
Compound_811	COc1cc(cc(c1OC)OC)[C@H]1[C@H]2C(=O)OC[C@@H]2Cc2c1cc1OCOc1c2O	0.67	1.0
Compound_812	CC(=CCN=C(N)N)C	0.08	0.0
Compound_813	CC=C(C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)C(C(O)C)(C(C)C)O)C	0.03	0.0
Compound_814	O=c1nc(Cc2ccccc2)n(c2c1cccc2)C	0.01	0.0
Compound_815	COc1c2C[C@@H](Oc2[n+](c2c1cc(O)cc2)C)C(O)(C)C	0.55	1.0
Compound_816	CC=C(C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@@H](O)C)(C(C)C)O)C	0.03	0.0
Compound_817	CN1C2CCC1CC(C2)OC(=O)Cc1ccccc1	0.0	0.0
Compound_818	COC(=O)C1CC23C=CCN4C3C3(C1(CC2)Nc1c3cccc1)CC4	0.01	0.0
Compound_819	CO[C@H]1C=CC2=CCN3[C@]2(C1)C1=CC(=O)OC[C@H]1CC3	0.07	0.0
Compound_820	C[C@@H]([C@H]1CC[C@@]2([C@]1(C)CC(=O)[C@@]1([C@H]2CC=C2[C@H]1CC[C@@H](C2(C)C)O)C)C)CCC(C(O)(C)C)O	0.06	0.0
Compound_821	COc1cc2CCN([C@H]3[C@H](c2cc1OC)O[C@H](OC)c1c3ccc(c1OC)OC)C	0.02	0.0
Compound_822	C=C[C@H]1[C@@H](OC=C2[C@H]1CCNC2=O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.02	0.0
Compound_823	CN[C@H]1CC[C@]23[C@H](C1(C)C)CC[C@@H]1[C@@]3(C2)CC[C@]2([C@@]1(C)C[C@H]([C@@H]2[C@@H](N(C)C)C)O)C	0.0	0.0
Compound_824	OC[C@H]1O[C@@H](SC(=NOS(=O)(=O)O)CC)[C@@H]([C@H]([C@@H]1O)O)O	0.04	0.0
Compound_825	C=C1CC[C@H]2C[C@@H]1C2(C)C	0.91	1.0
Compound_826	CC(=CCc1c(O)cc2c(c1O)C(=O)C[C@H](O2)c1ccc(cc1)O)CCC=C(C)C	0.25	0.0
Compound_827	CC=C(C(=O)O[C@@H]1C[C@@]2(C)O[C@@H]2C[C@@H](C(=C[C@@H]2[C@@H]1C(=C)C(=O)O2)C)O)C	0.18	0.0
Compound_828	CC1=CC[C@H]2[C@H]([C@@H]1C2(C)C)O	0.67	1.0
Compound_829	COC1=CC(=O)c2c(C1=O)cccc2	0.94	1.0
Compound_830	OC[C@H]1O[C@@H](OC([C@H]2Oc3c([C@H]2O)c2oc(=O)ccc2cc3)(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.26	0.0
Compound_831	CO[C@@H]1C=C[C@@]23[C@H](C1)N(C)C[C@@]3(O)OCc1c2cc2OCOc2c1	0.08	0.0
Compound_832	COc1c(OC)c2occc2c2c1ccc(=O)o2	0.71	1.0
Compound_833	C[C@@H]1C(=O)O[C@H]2[C@H]1CCC(=C1[C@@H]2C(=CC1=O)C)C	0.35	0.0
Compound_834	COc1c2cccc(c2nc2c1cco2)O	0.51	1.0
Compound_835	Oc1cc(O)c2c(c1O)oc(cc2=O)c1ccccc1	0.98	1.0
Compound_836	CN1CCC2=C[C@@H]([C@@H]3[C@H]([C@H]12)c1cc2OCOc2cc1C(=O)O3)O	0.07	0.0
Compound_837	COc1cc2ccc(=O)oc2c2c1occ2	0.65	1.0
Compound_838	COc1cccc2c1nc1occc1c2OC	0.77	1.0
Compound_839	CC(=CCc1c2ccc(=O)oc2c(c2c1cco2)O)C	0.67	1.0
Compound_840	OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)cc4c3C(=O)c3c(C4=O)cc(cc3O)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O	0.49	0.0
Compound_841	CC1=CC(=O)C2=C(C)C[C@@H]([C@@H]3[C@@H]([C@@H]12)OC(=O)C3=C)O	0.82	1.0
Compound_842	O=C[C@]12CC[C@@H](C[C@@H]1CCC1C2CC[C@]2([C@]1(O)CC[C@@H]2C1=CC(=O)OC1)C)O	0.16	0.0
Compound_843	CC1=CC[C@H]2C[C@@H]1C2(C)C	0.93	1.0
Compound_844	CCOC(=O)c1cccc(c1)N1C(=O)C(=C(C1=O)Cl)Nc1ccc(cc1)C(=O)N(C1CCCCC1)C	0.04	0.0
Compound_845	CC1=CCC[C@@]2(C)O[C@H]2[C@@H]2[C@@H](CC1)C(=C)C(=O)O2	0.68	1.0
Compound_846	CC[C@H]1N[C@@H]2[C@@H]3[C@H]1C[C@H]([C@]1(C2)c2ccc(cc2N(C1=O)OC)OC)OC3	0.05	0.0
Compound_847	O=C1C[C@]2(C(C1=C)C2)C(C)C	0.98	1.0
Compound_848	O=C1OC2C(C1=C)CCC(C1(C2(C)C(=O)CC1)O)C	0.37	0.0
Compound_849	CC1=CC[C@H](CC1)[C@]1(C)CC[C@@H](C(O1)(C)C)O	0.38	0.0
Compound_850	COc1cc(OC)c2c(c1)c1c3OCOc3cc(c1c(c2)N(=O)=O)C(=O)O	0.57	1.0
Compound_851	CC(CC(=O)O[C@@H]1c2c(O[C@@H]1C(OC(=O)CC(C)C)(C)C)ccc1c2oc(=O)cc1)C	0.75	1.0
Compound_852	COc1cc(CNC(=O)CCCCCCCC(C)C)ccc1O	0.1	0.0
Compound_853	COc1c2ccoc2c(c2c1ccc(=O)o2)OCC=C(C)C	0.58	1.0
Compound_854	OC[C@H]1O[C@@H](O[C@H]2C[C@H](C)OC(=O)C2)[C@@H]([C@H]([C@@H]1O)O)O	0.34	0.0
Compound_855	COc1cc(O)c2c(c1O)oc(cc2=O)c1ccccc1	0.97	1.0
Compound_856	CO[C@H]1C=CC2=CCN3[C@]2(C1)C1=C(CC3)COC(=O)C1	0.05	0.0
Compound_857	O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2O)O)C(=O)O	0.65	1.0
Compound_858	COc1c2ccc(=O)oc2c(c2c1cco2)OC	0.69	1.0
Compound_859	Cc1cc(O)c2c(c1)c1c3c4cc(C)cc(c4C(=O)c4c3c(c3c1c(C2=O)c(O)cc3O)c(cc4O)O)O	0.99	1.0
Compound_860	C=CC1=C[C@H](C)[C@](C)(OC(=O)C)C(=O)OCC2=CC[N+]3(C2([C@H](OC1=O)CC3)[O-])C	0.04	0.0
Compound_861	COc1cc(cc(c1O)OC)[C@H]1[C@H]2C(=O)OC[C@@H]2Cc2c1cc1OCOc1c2O	0.71	1.0
Compound_862	COc1ccc2c(c1O)C(=O)c1c(C2=O)cccc1	0.97	1.0
Compound_863	OCC1=C[C@H]([C@H]2[C@@H]1[C@H](O)OC=C2)O	0.84	1.0
Compound_864	OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)occ(c3=O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O	0.87	1.0
Compound_865	COc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)O)OC)NC(=O)C	0.2	0.0
Compound_866	OC[C@]12O[C@H]1[C@H]1[C@H]3O[C@]4(O[C@]1([C@H]1[C@@]([C@@H]2O)(O)C(=O)C(=C1)C)[C@@H]([C@H]([C@@]3(O4)C(=C)C)OC(=O)C=CC=Cc1ccccc1)C)c1ccccc1	0.46	0.0
Compound_867	O=C1O[C@@H]2C[C@@H]3C1(C)C[C@]14[C@@H]2CCCN4CC=C[C@]31O	0.02	0.0
Compound_868	CN1CCCC[C@H]1C[C@@H](c1ccccc1)O	0.01	0.0
Compound_869	Cn1c2ccccc2c(=O)c2c1occ2	0.06	0.0
Compound_870	CCN1CC2(CCC(C34C1C(O)(C(C23)OC)C1(C2C4CC(C2OC)C(C1)OC)O)OC)COC(=O)c1ccccc1N1C(=O)CC(C1=O)C	0.02	0.0
Compound_871	OC[C@H]1O[C@@H](Oc2cc(C)cc3c2C(=O)c2c(C3=O)cc(cc2O)OC)[C@@H]([C@H]([C@@H]1O)O)O	0.75	1.0
Compound_872	C[C@@H]1C[C@@H]2CC3=C([C@]4(C1)[C@@H]2CCCN4C)CCC(=O)N3	0.01	0.0
Compound_873	COc1cc(cc(c1OC)OC)[C@H]1[C@H]2C(=O)OC[C@@H]2[C@H](c2c1cc1OCOc1c2)O	0.43	0.0
Compound_874	C=CC(=CCC=C(C)C)C	0.83	1.0
Compound_875	CS(=O)SCC=C	0.61	1.0
Compound_876	OC[C@H]1O[C@@H](OC2=C[C@@H]3C(=CC[C@@H]4[C@@]3(C)C(=O)C[C@]3([C@@]4(C)C[C@H]([C@@H]3[C@](C(=O)CCC(O)(C)C)(O)C)O)C)C(C2=O)(C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.07	0.0
Compound_877	CCCCCCC[C@@H](C=CC#CC#C[C@@H](C=C)O)O	0.97	1.0
Compound_878	CCCCCCC=CCCCCCCCc1cccc(c1)O	0.98	1.0
Compound_879	CCCCCCCCCCCCCCCCCCC1=C(O)C(=O)C=C(C1=O)OC	0.27	0.0
Compound_880	OC[C@H]1O[C@@H](O[C@@H]2CC(=C(C(C2)(C)C)C=O)C)[C@@H]([C@H]([C@@H]1O)O)O	0.5	0.0
Compound_881	COc1cc2CCN([C@H]3[C@H](c2cc1OC)O[C@@H](O)c1c3ccc(c1OC)OC)C	0.02	0.0
Compound_882	C[C@@H]1N(C)C(=O)O[C@H]1c1ccccc1	0.32	0.0
Compound_883	COc1cc(O)cc2c1cc(N(=O)=O)c1c2c2OCOc2cc1C(=O)O	0.58	1.0
Compound_884	CC(=O)OC[C@H]1CC[C@@H]2[C@H]([C@]3([C@@]1(O)CCC3=O)C)OC(=O)C2=C	0.47	0.0
Compound_885	COc1cc2CCN[C@@H]3c2c(c1O)c1c(C3)ccc(c1OC)OC	0.12	0.0
Compound_886	C[C@@H]1C[C@H]2OC(=O)[C@H]([C@H]2[C@@H]([C@]2([C@H]1C=CC2=O)C)OC(=O)C(=C)C)C	0.78	1.0
Compound_887	O=c1ccc2c3n1c1ccccc1c3ccn2	0.3	0.0
Compound_888	COc1ccc2c(c1O)c1c(O)c(OC)cc3c1[C@H](C2)N(C)CC3	0.06	0.0
Compound_889	COc1ccc2c(c1)nc1c(c2OC)cco1	0.78	1.0
Compound_890	CC(=C)c1cc2c(o1)cc(c(c2)C(=O)C)O	0.96	1.0
Compound_891	O=Cc1ccc2c1cocc2COC(=O)CC(C)C	0.53	1.0
Compound_892	O=C1C=C(C)C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@H](O1)CC3	0.03	0.0
Compound_893	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@H]3[C@H]2[C@H](C)[C@H](C3)O)C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O	0.71	1.0
Compound_894	CC=C1CC(=C)[C@](O)(CO)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3	0.03	0.0
Compound_895	O=C(CC(c1ccccc1)N(C)C)OC1CCC2(C(C1=C)C(O)C1(O)CC(=O)C(=C(C(C2O)OC(=O)C)C1(C)C)C)C	0.05	0.0
Compound_896	O=C1OCC(=C1)[C@H]1CC[C@]2([C@]1(C)[C@H](O)C[C@H]1[C@@]32O[C@H]3C[C@@H]2[C@]1(C)CC[C@@H](C2)O[C@@H]1O[C@H](C)[C@H]([C@H]([C@H]1O)O)O)O	0.06	0.0
Compound_897	CC(=O)C[C@H](C1=CC[C@H]2[C@@H](C[C@@H]1C)OC(=O)C2=C)OC(=O)C	0.66	1.0
Compound_898	C[C@@H]1C[C@H]2CC(=O)[C@@H]3[C@]42[C@](C1)(O)N(CCC3)CCC4	0.02	0.0
Compound_899	C[C@@H]1CN[C@@H]2[C@@H](C1)O[C@@]1([C@@H]2C)CC[C@@H]2C(=C1C)C(=O)[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C	0.11	0.0
Compound_900	O=C1O[C@@H]2[C@H](C1=C)CC[C@@H]([C@]1([C@@]2(C)C(=O)C=C1)O)C	0.61	1.0
Compound_901	COc1cc2CCN([C@H]3c2cc1Oc1c2c(CCN([C@H]2Cc2ccc(Oc4cc(C3)ccc4OC)cc2)C)cc(c1OC)OC)C	0.01	0.0
Compound_902	O=c1ccc2c(o1)cc1c(c2OCC2=C(C)CC(CC2)(C)C)cco1	0.5	0.0
Compound_903	Oc1cc2CC[n+]3c2c(c1)c1cc2OCOc2cc1c3	0.88	1.0
Compound_904	Oc1cc(O)c2c(c1)O[C@@H]([C@H]([C@@H]2c1c(O)cc(c2c1O[C@@H]([C@@H](C2)O)c1ccc(c(c1)O)O)O)O)c1ccc(c(c1)O)O	0.61	1.0
Compound_905	OC[C@H]1O[C@@H](Oc2cc3oc(=O)ccc3cc2O)[C@@H]([C@H]([C@@H]1O)O)O	0.39	0.0
Compound_906	CN1CC[C@@]2([C@H]1Nc1c2cccc1)[C@@]12CCN([C@@H]1Nc1c2cccc1)C	0.01	0.0
Compound_907	O=Cc1ccc2c1cocc2C	0.95	1.0
Compound_908	C=C1C(=O)O[C@H]2[C@@H]1[C@H](O)[C@]1(C)C(=O)C=C[C@H]1[C@@H](C2)C	0.42	0.0
Compound_909	CCCCCCCCCCCCCc1cccc(c1)O	0.87	1.0
Compound_910	C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@@H]([C@]2(C)O)[C@@H](O)[C@@H]([C@@]2([C@H]1C[C@]13[C@H]2[C@H](O)[C@@H]([C@H]2[C@]3(C)CC[C@@H]([C@@]2(O1)O)O)O)O)O	0.01	0.0
Compound_911	O[C@@H]1[C@@H](O)[C@@]2(O)[C@H]([C@]([C@]3(C41C[C@@]([C@H]([C@@H]4O)CC3)(C)O)O)(C)O)[C@H]1[C@@H](C2(C)C)O1	0.33	0.0
Compound_912	COc1ccc2c(c1)NC1=C(CC3(C4C21CCN4CC1C3O1)CC)C(=O)OC	0.02	0.0
Compound_913	COC1C(O)C2=CCN3C2C(C1O)c1cc(OC)c(cc1C3)OC	0.07	0.0
Compound_914	C=C1C(=O)OC2C1C(O)C1(C)C(=O)CCC1C(C2)C	0.47	0.0
Compound_915	COC1=C(O)C(=O)N(C(=O)C1)C	0.09	0.0
Compound_916	OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@@H]3[C@H](C)[C@@](O4)(O)CC[C@@H](CO[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O	0.09	0.0
Compound_917	OC[C@H]1CC[C@@H]2[C@H]([C@]3([C@@]1(O)CC[C@@H]3OC(=O)C)C)OC(=O)C2=C	0.3	0.0
Compound_918	O[C@@H]1Cc2cc3OCOc3cc2c2c1c1ccc3c(c1cn2)OCO3	0.73	1.0
Compound_919	C[C@@H]1CC[C@H](N2[C@H]1CC[C@]1(C2)CS[C@]2(C1)CC[C@@H]1N(C2)[C@@H](CC[C@H]1C)c1cocc1)c1cocc1	0.02	0.0
Compound_920	C[C@@H]([C@H]1CC[C@@]2([C@]1(C)CC=C1[C@H]2CC[C@@H]2C(=C1)CC[C@@H](C2(C)C)N(C)C)C)N	0.04	0.0
Compound_921	C=CC(=C)CCCC(=C)C	0.81	1.0
Compound_922	CC(=O)CC1CCCN1	0.19	0.0
Compound_923	CCCCCCC=CCCCCCCCc1cccc(c1C(=O)O)O	0.59	1.0
Compound_924	O=C1OC2C(C1=C)CC1C(C2)(C)CCCC1=C	0.76	1.0
Compound_925	Oc1c(O)nc(=N)[nH]c1N	0.02	0.0
Compound_926	CN[C@@H]1Cc2c[nH]c3c2c([C@H]1C=C(CO)C)ccc3	0.05	0.0
Compound_927	C[C@H](C[C@H]1CCC[C@H](N1)C)O	0.02	0.0
Compound_928	OC[C@H]1O[C@@H](Oc2cccc3c2C(=O)c2c(C3=O)cc(cc2O)C)[C@@H]([C@H]([C@@H]1O)O)O	0.86	1.0
Compound_929	O=Cc1ccc2c1cocc2COC(=O)C	0.86	1.0
Compound_930	Oc1cc(O)c2c(c1)O[C@@H]([C@H]([C@@H]2c1c(O)cc(c2c1O[C@@H]([C@H](C2)O)c1ccc(c(c1)O)O)O)O)c1ccc(c(c1)O)O	0.61	1.0
Compound_931	CCCCCc1cc2OC(C)(C)c3c(c2c(c1C(=O)O)O)cc(cc3)C	0.81	1.0
Compound_932	OC[C@H]1CCN2[C@@H]1CCC2	0.34	0.0
Compound_933	O=N(=O)c1cc2c(O)cccc2c2c1c(cc1c2OCO1)C(=O)O	0.53	1.0
Compound_934	COc1cc(ccc1O)c1oc2cc(O)cc(c2c(=O)c1OC)O	0.94	1.0
Compound_935	CC(=CC(=O)O[C@@H]1CC(C)(C)C[C@@H]2[C@]1(CC[C@@]1(C2=CC[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)CCC(=O)C1(C)C)C)C(=O)O)C	0.21	0.0
Compound_936	O=C1CCC[C@@H]2N1C[C@H]1C[C@H]2C(=O)N2[C@H]1CCCC2	0.04	0.0
Compound_937	O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@]([C@@H](O)C)(C(C)C)O	0.05	0.0
Compound_938	CC(=CCOc1c2ccoc2cc2c1ccc(=O)o2)C	0.71	1.0
Compound_939	COc1cc2c(cc1OC)nc1c(c2OC)cco1	0.69	1.0
Compound_940	CN1CCc2cc3OCOc3cc2C(=O)[C@@H](c2c(C1)c1OCOc1cc2)C	0.45	0.0
Compound_941	O=C(C(C)C)O[C@@H]1[C@@H]2[C@@H](OOC2=C)C[C@@H]([C@@H]2[C@]1(C)OC=C2)C	0.62	1.0
Compound_942	COc1cc2c(c(c1OC)O)c(=O)c1c(n2C)cccc1	0.32	0.0
Compound_943	CN1CC[C@H]2OC(=O)C3(O[C@@H]3C)C[C@H]([C@@](C(=O)OCC(=CC1)C2=O)(C)O)C	0.04	0.0
Compound_944	OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2(=O)C	0.01	0.0
Compound_945	COC(=O)CCC(=O)Nc1ccccc1C(=O)OC[C@]12CC[C@@H]([C@@]34[C@@H]2[C@H](OC)[C@](C3N(C1)CC)(O)[C@@]1([C@@H]2[C@H]4C[C@@H]([C@@H]2OC)[C@H](C1)OC)OC)OC	0.01	0.0
Compound_946	OCCCC1C(=C(C=O)C)CCC(C1(C)CCC=C(CCC1C(=CCC(C1(C)C)C)C)C)(C)O	0.09	0.0
Compound_947	C[C@H]1CC[C@@H]2[N@](=O)(C1)[C@@H](CC[C@H]2C)c1ccoc1	0.22	0.0
Compound_948	C[C@H]1CC[C@@H]2[C@H]([C@]3([C@H]1C=CC3=O)C)OC(=O)C2=C	0.8	1.0
Compound_949	O[C@@H]1C[C@@]23C[C@@]([C@@H]([C@H]2O)CC[C@H]3[C@@]([C@H]2[C@@]1(O)C(C)(C)[C@H](C2)O)(C)O)(C)O	0.3	0.0
Compound_950	C=C1CCC[C@]2([C@H]1C[C@@H](CC2)C(O)(C)C)C	0.17	0.0
Compound_951	C=CC#Cc1ccc(s1)c1cccs1	0.91	1.0
Compound_952	C=C[C@H]1[C@@H](OC=C2[C@H]1CCOC2=O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.86	1.0
Compound_953	CCCC(=O)c1c(O)cc(c(c1O)Cc1c(O)c(C(=O)CCC)c(c(c1OC)C)O)OC	0.7	1.0
Compound_954	C=C[C@@]1(C)CC[C@H](O1)[C@@H](C(=O)CC=C(C)C)C	0.93	1.0
Compound_955	OC[C@H]1O[C@@H](O[C@H](c2ccc(cc2)O)C#N)[C@@H]([C@H]([C@@H]1O)O)O	0.37	0.0
Compound_956	COc1cc(cc(c1OC)OC)[C@H]1[C@H]2C(=O)OC[C@@H]2Cc2c1cc1OCOc1c2OC	0.82	1.0
Compound_957	COc1c(OC)cc2c3c1c1cc4OCOc4cc1C[C@@H]3N(CC2)C	0.44	0.0
Compound_958	COc1cc2CCN([C@]3(c2cc1O)Cc1c(C3=O)c2OCOc2cc1)C	0.2	0.0
Compound_959	O[C@H]1C=C2[C@H]([C@@H]([C@@H]1O)O)NC(=O)c1c2cc2OCOc2c1O	0.19	0.0
Compound_960	C[S@](=O)C[C@@H](C(=O)O)N	0.01	0.0
Compound_961	O=c1nc(Cc2ccccc2)[nH]c2c1cccc2	0.06	0.0
Compound_962	CCCCCCCCCCCCCCCc1cccc(c1O)O	0.89	1.0
Compound_963	OCc1cc(O)c2c(c1)c1c3c4cc(C)cc(c4C(=O)c4c3c(c3c1c(C2=O)c(O)cc3O)c(cc4O)O)O	0.9	1.0
Compound_964	COc1c(OC)ccc2c1c(=O)n1c(c2)c2cc3OCOc3cc2CC1	0.19	0.0
Compound_965	CC([C@@](C(=O)OCC1=CCN2[C@H]1CCC2)([C@H](O)C)O)C	0.06	0.0
Compound_966	OC[C@]12CC[C@@H](C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2([C@]1(O)CC[C@@H]2C1=CC(=O)OC1)C)OC1O[C@H](C)[C@H]([C@H]([C@H]1O)O)O	0.14	0.0
Compound_967	C=C[C@H]1[C@@H](OC=C2[C@H]1C[C@@H]1SCCN1C2=O)OC1OC(CO)C(C(C1O)O)O	0.08	0.0
Compound_968	OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@H]2C[C@H]2[C@@H]3[C@H](C)[C@]3(O2)CC[C@@H](CO3)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.17	0.0
Compound_969	COc1cc2C[C@@H]3N(C[C@H](c2cc1O)c1c3cc2c(c1)OCO2)C	0.06	0.0
Compound_970	O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](N(C)C)C)C)C1)C	0.03	0.0
Compound_971	CCC(C(=O)C12C(=O)C(=C(C(C1=O)(CC=C(C)C)CC(C2(C)CCC=C(C)C)CC=C(C)C)O)CC=C(C)C)C	0.21	0.0
Compound_972	CCCCCc1cc(O)c2c(c1C(=O)O)OC([C@H]1[C@H]2C=C(C)CC1)(C)C	0.56	1.0
Compound_973	CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H]([C@]3([C@H]([C@H](C(=C1C)C2(C)C)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C	0.37	0.0
Compound_974	CC1=C[C@@H]2C(=C(C)CC[C@H]2C(C)C)CC1	0.4	0.0
Compound_975	CC1C(=O)OC2C1C(O)C1(C)C(=O)C=CC1C(C2)C	0.47	0.0
Compound_976	CC1=CCCC(=C)C=C[C@@H](CC1)C(C)C	0.47	0.0
Compound_977	Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c(c(c1)O)O	0.99	1.0
Compound_978	OC1=C[C@@H]2C(=CC[C@@H]3[C@@]2(C)C(=O)C[C@]2([C@@]3(C)C[C@H]([C@@H]2[C@](C(=O)CCC(O)(C)C)(O)C)O)C)C(C1=O)(C)C	0.07	0.0
Compound_979	C[C@@H]1N(C)C(=O)O[C@@H]1c1ccccc1	0.32	0.0
Compound_980	CC(=O)O[C@H]1C[C@@H]2[C@H](C1=C)[C@H]1OC(=O)C(=C)[C@@H]1CCC2=C	0.76	1.0
Compound_981	O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3C[C@H]3[C@@]2(O3)C(=O)C)C)C1)C	0.34	0.0
Compound_982	O=C[C@]12C[C@H]3O[C@@]4(O)[C@H](O)C[C@H](O[C@H]4O[C@@H]3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2([C@]1(O)CC[C@@H]2C1=CC(=O)OC1)C)C	0.08	0.0
Compound_983	CO[C@H]1C=CC2=CCN3[C@]2(C1)c1cc(OC)c(cc1CC3)OC	0.03	0.0
Compound_984	COC(=O)[C@@H]1C[C@]2(CC)CCCN(C2)CCc2c1[nH]c1c2cccc1	0.01	0.0
Compound_985	COc1cc2CC[n+]3c(c2cc1O)cc1c(c3)c(OC)c(cc1)OC	0.13	0.0
Compound_986	COc1ccc2c(c1O)c1c(OC)c(OC)cc3c1[C@H](C2)NCC3	0.12	0.0
Compound_987	CN1CCc2c([C@@H]1[C@@H]1OC(=O)c3c1ccc1c3OCO1)cc1c(c2)OCO1	0.2	0.0
Compound_988	Cc1cc2Cc3cc(O)cc(c3C(=O)c2c(c1)O)O	0.99	1.0
Compound_989	OC[C@H]1O[C@@H](Oc2cc3occ(c(=O)c3c(c2OC)O)c2cc(O)c(c(c2)OC)OC)[C@@H]([C@H]([C@@H]1O)O)O	0.6	1.0
Compound_990	OC[C@H]1O[C@@H](O[C@@H](c2cccc(c2)O)C#N)[C@@H]([C@H]([C@@H]1O)O)O	0.37	0.0
Compound_991	OCC1=CC(=O)C2=C(C)CC[C@@H]3[C@@H]([C@@H]12)OC(=O)C3=C	0.88	1.0
Compound_992	O=CN[C@H]1CCc2c(c3c1cc(=O)c(cc3)OC)c(OC)c(c(c2)OC)OC	0.77	1.0
Compound_993	CC(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@](C(O)(C)C)([C@@H](O)C)O	0.05	0.0
Compound_994	CC=C(C(=O)O[C@H]([C@](C(=O)OCC1=CCN2[C@H]1[C@H](O)CC2)(C(C)C)O)C)C	0.03	0.0
Compound_995	COc1ccc2c(c1)[nH]c1c2CCN2[C@H]1C[C@H]1[C@@H](C2)[C@H](C)OC=C1C(=O)OC	0.08	0.0
Compound_996	O=C1O[C@H]2[C@@H](C1=C)C[C@@H]1[C@](C2)(C)[C@H](O)CCC1=C	0.34	0.0
Compound_997	CN[C@H]1CC[C@]23[C@H](C1(C)C)CC[C@@H]1[C@@]3(C2)CC[C@]2([C@@]1(C)CC[C@@H]2[C@@H](N(C)C)C)C	0.02	0.0
Compound_998	Cn1c(cc(=O)c2c1cccc2)c1ccc2c(c1)OCO2	0.19	0.0
Compound_999	CCC(=O)C1CCCCN1	0.13	0.0
Compound_1000	OC[C@H]1O[C@@H](OC(=O)C(=C)C(CO)O)[C@@H]([C@H]([C@@H]1O)O)O	0.82	1.0