Index	SMILES	Probability	Label
Compound_1	[Cd]	1.0	1.0
Compound_2	[Ni]	0.99	1.0
Compound_3	O=[O]=O	0.61	1.0
Compound_4	[O-][Cl](=O)(=O)=O	0.93	1.0
Compound_5	Brc1ccccc1	1.0	1.0
Compound_6	C=CC=C	1.0	1.0
Compound_7	c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3	1.0	1.0
Compound_8	c1ccc2c(c1)c1cc3ccccc3c3c1c2ccc3	1.0	1.0
Compound_9	O=c1c2ccccc2c2c3c1cccc3[nH]n2	0.14	0.0
Compound_10	c1ccc2c(c1)c1cc3ccc4c(c3cc1cc2)cccc4	1.0	1.0
Compound_11	O=C1SCC(=O)N1	0.3	0.0
Compound_12	BrCC(C1CCC(C(C1)Br)Br)Br	0.99	1.0
Compound_13	CC(=O)Nc1ccc(cc1)O	0.91	1.0
Compound_14	CC(=O)O[Hg]c1ccccc1	1.0	1.0
Compound_15	CC(OP(=O)(F)C)C	0.95	1.0
Compound_16	CC(=S)N	0.96	1.0
Compound_17	OC(=O)C(O)C	0.07	0.0
Compound_18	CCCC=O	0.98	1.0
Compound_19	CCCc1cc(=O)[nH]c(=S)[nH]1	0.88	1.0
Compound_20	C=CC(=C)Cl	0.98	1.0
Compound_21	ClC(Cl)(Cl)Cl	0.98	1.0
Compound_22	Clc1cc2Oc3cc(Cl)c(cc3Oc2cc1Cl)Cl	0.99	1.0
Compound_23	O=S1OCC2C(CO1)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl	0.99	1.0
Compound_24	Clc1cc(Cl)c(cc1c1ccc(c(c1Cl)Cl)Cl)Cl	1.0	1.0
Compound_25	O=NN(C)C	0.97	1.0
Compound_26	Cn1cc[nH]c1=S	0.01	0.0
Compound_27	CNNC	0.82	1.0
Compound_28	COCCO	0.99	1.0
Compound_29	Nc1n[nH]cn1	0.76	1.0
Compound_30	O=c1ccc2c(o1)cccc2	0.87	1.0
Compound_31	O=C1OC(=O)c2c1cc(cc2)C(=O)O	0.13	0.0
Compound_32	S=C1NCCN1	0.27	0.0