Index	SMILES	Probability	Label
Compound_1	N=C(Nc1ccccc1)Nc1ccccc1	0.12	0.0
Compound_2	O=C(NC1CCCCC1)NC1CCCCC1	0.96	1.0
Compound_3	Nc1ccc(cc1)Nc1ccccc1	1.0	1.0
Compound_4	c1ccc(cc1)Nc1ccccc1	0.99	1.0
Compound_5	O=C(Nc1ccccc1)Nc1ccccc1	0.31	0.0
Compound_6	O=C(Nc1ccccc1)NC1CCCCC1	0.84	1.0
Compound_7	N=c1sc2c(n1c1ccccc1)cccc2	0.23	0.0
Compound_8	O=c1sc2c([nH]1)cccc2	0.48	0.0
Compound_9	Sc1nc2c(s1)cccc2	0.98	1.0
Compound_10	Nc1nc2c(s1)cccc2	0.98	1.0
Compound_11	CSc1nc2c(s1)cccc2	0.98	1.0
Compound_12	COCN(c1nc(nc(n1)N(COC)COC)N(COC)COC)COC	0.09	0.0
Compound_13	O=c1ccc2c([nH]1)cccc2	0.2	0.0
Compound_14	Cc1cc2[nH]cnc2cc1C	0.68	1.0
Compound_15	NC(=O)c1ccccc1	0.95	1.0
Compound_16	CC(CC(Nc1ccc(cc1)Nc1ccccc1)C)C	0.65	1.0
Compound_17	CC(CC(NC1=CC(=O)C(=CC1=O)Nc1ccccc1)C)C	0.19	0.0
Compound_18	Oc1ccc(cc1)Nc1ccccc1	0.99	1.0
Compound_19	Nc1ccc(cc1)Nc1ccccc1	1.0	1.0
Compound_20	CC(Nc1ccc(cc1)Nc1ccccc1)C	0.33	0.0
Compound_21	Cc1ccccc1Nc1ccc(cc1)Nc1ccccc1C	0.98	1.0
Compound_22	CC(Nc1ccc(cc1)Nc1ccccc1)CCC(C)C	0.17	0.0
Compound_23	CC(Nc1ccc(cc1)NC(CCC(C)C)C)CCC(C)C	0.1	0.0
Compound_24	c1ccc(cc1)Nc1ccc(cc1)Nc1ccccc1	0.99	1.0
Compound_25	Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.99	1.0
Compound_26	c1ccc2c(c1)cc(cc2)Nc1ccc(cc1)Nc1ccc2c(c1)cccc2	0.99	1.0
Compound_27	CC1=CC(C)(C)Nc2c1cccc2	0.91	1.0