Index	SMILES	Probability	Label
Compound_1	N#CCc1ccc(cc1)Cl	0.98	1.0
Compound_2	BrCc1ccc(cc1)N(=O)=O	0.92	1.0
Compound_3	Nc1ccc(cc1)c1ccc(cc1)N	1.0	1.0
Compound_4	Nc1ccc(cc1)c1ccc(cc1)F	0.95	1.0
Compound_5	O=Cc1ccc(cc1)Cl	0.97	1.0
Compound_6	O=Cc1ccc(cc1)N(=O)=O	0.97	1.0
Compound_7	FC(C(C(F)(F)F)(c1ccc(cc1)O)c1ccc(cc1)O)(F)F	0.99	1.0
Compound_8	OC(C(Cl)(Cl)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl	0.97	1.0
Compound_9	Oc1ccc(cc1)C(=O)O	0.89	1.0
Compound_10	NNc1ccc(cc1)C(=O)O	0.55	1.0
Compound_11	OC(=O)c1ccc(cc1)N	0.01	0.0
Compound_12	OC(=O)c1ccc(cc1)Cl	0.9	1.0
Compound_13	OC(=O)c1ccc(cc1)C(=O)O	0.69	1.0
Compound_14	Cl[Hg]c1ccc(cc1)C(=O)O	0.97	1.0
Compound_15	OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(N)nc(n2)N	0.01	0.0
Compound_16	ClC(=O)c1ccc(cc1)C(=O)Cl	0.99	1.0
Compound_17	N#Cc1ccc(cc1)O	0.91	1.0
Compound_18	N#Cc1ccc(cc1)C(n1cncn1)c1ccc(cc1)C#N	0.95	1.0
Compound_19	Brc1ccc(cc1)Br	1.0	1.0
Compound_20	Clc1ccc(c(c1)Cl)Oc1ccc(cc1)N(=O)=O	0.99	1.0