Index	SMILES	Probability	Label
Compound_1	CCCC(=O)O	0.34	0.0
Compound_2	OC(=O)C(O)C	0.07	0.0
Compound_3	CC(=S)N	0.96	1.0
Compound_4	CC(=O)N	0.95	1.0
Compound_5	CC(=C)C=O	0.99	1.0
Compound_6	BrCC(C1CCC(C(C1)Br)Br)Br	0.99	1.0
Compound_7	O=C1SCC(=O)N1	0.3	0.0
Compound_8	c1ccc2c(c1)cccc2	1.0	1.0
Compound_9	C=CC=O	0.98	1.0
Compound_10	[Zn]	1.0	1.0
Compound_11	[Se]	1.0	1.0
Compound_12	[O-][Cl](=O)(=O)=O	0.93	1.0
Compound_13	O=[O]=O	0.66	1.0
Compound_14	ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@H]1[C@@H]2[C@H]2C[C@@H]1[C@H]1[C@@H]2O1)(Cl)Cl)Cl	0.91	1.0
Compound_15	O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C)C	0.04	0.0
Compound_16	[Cu]	1.0	1.0
Compound_17	[Cd]	1.0	1.0