Index	SMILES	Probability	Label
Compound_1	CN(Cc1ccccc1)C	0.05	0.0
Compound_2	O=Nc1ccc(cc1)N(C)C	0.96	1.0
Compound_3	CN(c1ccc(cc1)N(C)C)C	0.93	1.0
Compound_4	CN(c1ccc(cc1)Cc1ccc(cc1)N(C)C)C	0.98	1.0
Compound_5	O=Cc1ccc(cc1)N(C)C	0.87	1.0
Compound_6	CN(c1ccc(cc1)C(=O)c1ccc(cc1)N(C)C)C	0.98	1.0
Compound_7	C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccccc2)C=C1)C	0.15	0.0
Compound_8	C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccc(cc2)N(C)C)C=C1)C	0.03	0.0
Compound_9	[O-]C(=O)CCc1c(I)cc(c(c1I)N=CN(C)C)I	0.14	0.0
Compound_10	CN(C(=S)SSC(=S)N(C)C)C	0.93	1.0
Compound_11	CN(C(=S)SC(=S)N(C)C)C	0.16	0.0
Compound_12	CN(C(=S)[S-])C	0.94	1.0
Compound_13	CN(C(=S)[S-])C	0.94	1.0
Compound_14	CN(C(=S)[S-])C	0.94	1.0
Compound_15	CN(C(=O)Nc1ccccc1)C	0.85	1.0
Compound_16	CN([C@@H]1C(=O)C(=C([C@@]2([C@H]1C[C@@H]1Cc3c(C(=C1C2=O)O)c(O)ccc3N(C)C)O)O)C(=O)N)C	0.06	0.0
Compound_17	Cl[Yb](Cl)Cl	0.99	1.0
Compound_18	Cl[Sb](Cl)Cl	0.99	1.0
Compound_19	Cl[Nd](Cl)Cl	0.99	1.0
Compound_20	Cl[In](Cl)Cl	0.99	1.0
Compound_21	Cl[Hg]Cl	0.99	1.0
Compound_22	Cl[Fe]Cl	0.99	1.0
Compound_23	Cl[Dy](Cl)Cl	0.99	1.0
Compound_24	Cl[Cd]Cl	0.99	1.0
Compound_25	CC(=O)OC[C@H]1O[C@@H]([S-])[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C	0.05	0.0