Index	SMILES	Probability	Label
Compound_1	Cl[Hg]c1ccc(cc1)O	0.98	1.0
Compound_2	ONc1ccc(cc1)N=O	0.95	1.0
Compound_3	O=C(Nc1ccc(c(c1)Cl)Cl)Nc1ccc(cc1)Cl	0.96	1.0
Compound_4	O=Nc1ccc(cc1)O	0.96	1.0
Compound_5	[O-]C(=O)C1=NN(C(=O)C1N=Nc1ccc(cc1)S(=O)(=O)[O-])c1ccc(cc1)S(=O)(=O)[O-]	0.91	1.0
Compound_6	Oc1ccc2c(c1N=Nc1ccc(cc1)S(=O)(=O)[O-])ccc(c2)S(=O)(=O)[O-]	0.99	1.0
Compound_7	O=C=Nc1ccc(cc1)Cl	0.36	0.0
Compound_8	NC(=NCCCCCCN=C(/N=C(/Nc1ccc(cc1)Cl)\N)N)/N=C(/Nc1ccc(cc1)Cl)\N	0.06	0.0
Compound_9	Nc1ccc(cc1)Oc1ccc(cc1)N	0.99	1.0
Compound_10	Nc1ccc(cc1)O	0.98	1.0
Compound_11	Nc1ccc(cc1)N	0.99	1.0
Compound_12	Nc1ccc(cc1)Cl	0.93	1.0
Compound_13	Nc1ccc(cc1)Br	0.97	1.0
Compound_14	Nc1ccc(cc1)N(=O)=O	0.96	1.0
Compound_15	Fc1ccc(cc1)Br	1.0	1.0
Compound_16	Clc1ccc(cc1)COC(c1ccc(cc1Cl)Cl)Cn1cncc1	0.89	1.0
Compound_17	Clc1ccc(cc1)Cl	0.99	1.0
Compound_18	ClCc1ccc(cc1)N(=O)=O	0.82	1.0
Compound_19	Oc1ccc(cc1)Cc1ccc(cc1)O	0.99	1.0
Compound_20	Nc1ccc(cc1)Cc1ccc(cc1)N	0.99	1.0