Index	SMILES	Probability	Label
Compound_1	OC(=O)C(C(C(F)(F)F)(F)F)(F)F	0.99	1.0
Compound_2	OC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.99	1.0
Compound_3	OC(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F	1.0	1.0
Compound_4	OC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	1.0	1.0
Compound_5	OC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	1.0	1.0
Compound_6	OC(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	1.0	1.0
Compound_7	OC(=O)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	1.0	1.0
Compound_8	OC(=O)C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	1.0	1.0
Compound_9	OC(=O)C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	1.0	1.0
Compound_10	OC(=O)C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	1.0	1.0
Compound_11	OC(=O)C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	1.0	1.0
Compound_12	OC(=O)C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	1.0	1.0
Compound_13	OC(=O)C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	1.0	1.0
Compound_14	FC(C(C(S(=O)(=O)O)(F)F)(F)F)(C(F)(F)F)F	0.99	1.0
Compound_15	FC(C(C(C(C(S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F	0.99	1.0
Compound_16	FC(C(C(C(C(C(S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.99	1.0
Compound_17	FC(C(C(C(C(C(S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F	0.99	1.0
Compound_18	FC(C(C(C(C(S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)F	0.98	1.0
Compound_19	FC(C(C(C(C(C(C(C(C(S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.98	1.0
Compound_20	FC(C(C(C(C(C(S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F	0.98	1.0
Compound_21	FC(C(C(C(C(C(C(C(S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)F	0.98	1.0
Compound_22	FC(C(C(C(C(C(C(S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.98	1.0
Compound_23	OC(=O)CCC(C(C(F)(F)F)(F)F)(F)F	0.75	1.0
Compound_24	OC(=O)CCC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F	0.91	1.0
Compound_25	OC(=O)CCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.91	1.0
Compound_26	FC(C(C(C(F)(F)F)(F)F)(F)F)(CCS(=O)(=O)O)F	0.7	1.0
Compound_27	OS(=O)(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.65	1.0
Compound_28	OS(=O)(=O)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.71	1.0
Compound_29	FC(C(C(C(C(C(C(C(C(S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F	0.98	1.0
Compound_30	OC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F	0.97	1.0
Compound_31	OC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F	0.79	1.0
Compound_32	OC(=O)C(C(OC(C(C(OC(F)(F)F)(F)F)(F)F)(F)F)F)(F)F	0.83	1.0
Compound_33	OC(=O)C(C(OC(F)(F)F)(F)F)(F)F	0.9	1.0
Compound_34	OC(=O)C(OC(C(OC(F)(F)F)(F)F)(F)F)(F)F	0.86	1.0
Compound_35	OC(=O)C(C(C(OC(F)(F)F)(F)F)(F)F)(F)F	0.96	1.0
Compound_36	FC(C1(F)C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)S(=O)(=O)O)(C(F)(F)F)F	0.9	1.0
Compound_37	FC(C(F)(F)F)(OC(C(S(=O)(=O)O)(F)F)(F)F)F	0.82	1.0
Compound_38	FC(C(C(C(C(C(Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(OC(C(S(=O)(=O)O)(F)F)(F)F)F	0.9	1.0
Compound_39	FC(C(C(C(C(C(C(C(Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(OC(C(S(=O)(=O)O)(F)F)(F)F)F	0.9	1.0
Compound_40	FC(C(C(S(=O)(=O)N)(F)F)(F)F)(C(F)(F)F)F	0.98	1.0
Compound_41	FC(C(C(C(C(C(S(=O)(=O)N)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.98	1.0
Compound_42	FC(C(C(C(C(S(=O)(=O)N)(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)F	0.98	1.0
Compound_43	CNS(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.96	1.0
Compound_44	CCNS(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.9	1.0
Compound_45	OCCN(S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C	0.46	0.0
Compound_46	OCCN(S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CC	0.43	0.0
Compound_47	OC(=O)CN(S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C	0.35	0.0
Compound_48	CCN(S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CC(=O)O	0.25	0.0
Compound_49	[O-]C(=O)C[N+](CCCNS(=O)(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C)C	0.19	0.0
Compound_50	O=S(=O)(CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)NCCCN(=O)(C)C	0.22	0.0
Compound_51	OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.99	1.0
Compound_52	CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O	0.8	1.0
Compound_53	OCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.99	1.0
Compound_54	FC(C(C(C(C(P(=O)(O)O)(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)F	0.86	1.0
Compound_55	FC(C(C(C(C(C(P(=O)(O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F	0.86	1.0
Compound_56	OP(=O)(OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O	0.98	1.0
Compound_57	OP(=O)(OCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O	0.98	1.0
Compound_58	FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(CCOP(=O)(OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O)F	0.99	1.0
Compound_59	FC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(CCOP(=O)(OCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O)F	0.99	1.0
Compound_60	FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(P(=O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O)F	0.94	1.0
Compound_61	OS(=O)(=O)CCC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.71	1.0
Compound_62	OC(=O)C(F)(F)F	0.97	1.0
Compound_63	FC(S(=O)(=O)O)(F)F	0.96	1.0
Compound_64	OC(=O)C(C(F)(F)F)(F)F	0.99	1.0
Compound_65	FC(S(=O)(=O)O)(C(F)(F)F)F	0.98	1.0
Compound_66	FC(C(C(S(=O)(=O)O)(F)F)(F)F)(F)F	0.98	1.0