Index	SMILES	Probability	Label
Compound_1	OCCOC(=O)C=C	0.97	1.0
Compound_2	C=CC(=O)OCCn1c(=O)n(CCOC(=O)C=C)c(=O)n(c1=O)CCOC(=O)C=C	0.03	0.0
Compound_3	C=CC(=O)OCCCCOC(=O)C=C	0.93	1.0
Compound_4	C=CC(=O)OCCCCCCOC(=O)C=C	0.97	1.0
Compound_5	OC(=O)CCOC(=O)C=C	0.56	1.0
Compound_6	C=CC(=O)OCCC#N	0.98	1.0
Compound_7	C=CC(=O)OCC(COc1ccccc1)O	0.9	1.0
Compound_8	C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	0.74	1.0
Compound_9	C=CC(=O)OCC(COC(=O)C=C)(COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)CO	0.83	1.0
Compound_10	C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)CO	0.54	1.0
Compound_11	C=CC(=O)NCNC(=O)C=C	0.79	1.0
Compound_12	C=CC#N	0.98	1.0
Compound_13	ClCC1(CCl)C(=C)C2(C(C1(Cl)C(C2Cl)Cl)(Cl)Cl)Cl	0.97	1.0
Compound_14	C[Sn](Cl)(Cl)C	0.99	1.0
Compound_15	C[Si]1(C)N[Si](C)(C)N[Si](N1)(C)C	0.92	1.0
Compound_16	C[Si](O[Si](O[Si](O[Si](C)C)(C)C)(C)C)C	0.89	1.0
Compound_17	C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C	0.08	0.0
Compound_18	C[Si](O[Si](C)(C)C)(C)C	0.27	0.0
Compound_19	C[n+]1cccc(c1)OC(=O)N(C)C	0.03	0.0
Compound_20	C[n+]1cc2c3OCOc3ccc2c2c1c1cc3OCOc3cc1cc2	0.37	0.0
Compound_21	C=CCCC(=O)OCCC[N+]1(C)CCc2c([C@H]1Cc1cc(OC)c(c(c1)OC)OC)cc(c(c2)OC)OC	0.05	0.0
Compound_22	C[N+](Cc1ccccc1)(C)C	0.2	0.0
Compound_23	[O-]C(=O)C[N+](C)(C)C	0.01	0.0
Compound_24	C[Hg]Cl	0.98	1.0
Compound_25	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[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O	0.05	0.0