Index	SMILES	Probability	Label
Compound_1	ON=C1CC[C@H]2C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@]2(O)C#C)CC	0.09	0.0
Compound_2	CC[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)C#C	0.04	0.0
Compound_3	CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@H]([C@@H]([C@H]2O)N(C)C)O)[C@@H](CCN2C[C@H](C)C[C@@H](C2)C)C[C@H](C(=O)/C=C/C(=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@H]([C@H]([C@H]1OC)OC)O)/C)C	0.02	0.0
Compound_4	CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO	0.0	0.0
Compound_5	OCCCCC/C=C\CC	0.93	1.0
Compound_6	CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O	0.04	0.0
Compound_7	CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O	0.04	0.0
Compound_8	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1	0.91	1.0
Compound_9	COCC(O)C	0.97	1.0
Compound_10	C=CC(=O)OCC(OCC(OCC(OC(=O)C=C)C)C)C	0.6	1.0
Compound_11	OCC(O)C	0.97	1.0
Compound_12	CC(CN(CC(O)C)CCN(CC(O)C)CC(O)C)O	0.09	0.0
Compound_13	CN(CC(O)C)C	0.12	0.0
Compound_14	OCCC(O)C	0.84	1.0
Compound_15	OCCC(CCCC(O)(C)C)C	0.56	1.0
Compound_16	O=CCC(CCCC(O)(C)C)C	0.29	0.0
Compound_17	O=COCCC(CCC=C(C)C)C	0.62	1.0
Compound_18	OCCC(CCC=C(C)C)C	0.19	0.0
Compound_19	O=CCC(CCC=C(C)C)C	0.14	0.0
Compound_20	O=CC(CCC=C(C)C)C	0.13	0.0
Compound_21	CNC(CC1CCCCC1)C	0.35	0.0
Compound_22	CC(CC(O)(C)C)O	0.73	1.0
Compound_23	ON(C(c1cc2c(s1)cccc2)C)C(=O)N	0.18	0.0
Compound_24	OC(=O)C(c1ccc2c(c1)CC(=O)c1c(S2)cccc1)C	0.24	0.0