Index	SMILES	Probability	Label
Compound_1	COc1cc(C)c(cc1CC(N)C)OC	0.07	0.0
Compound_2	CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N	0.85	1.0
Compound_3	NC(c1ccccc1)C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)C	0.0	0.0
Compound_4	OCCCC(=O)NCC(c1cccc(c1)OC)(CC)CC	0.01	0.0
Compound_5	CC(Cc1ccc(cc1)C(C(=O)O)C)C	0.86	1.0
Compound_6	CC(Cc1ccccc1)NCCC#N	0.13	0.0
Compound_7	CC1CCOC(C1)C=C(C)C	0.22	0.0
Compound_8	O=C1CCC2(C34C1Oc1c4c(CC2N(CC3)CC2CC2)ccc1O)O	0.2	0.0
Compound_9	CC(C(C(COC(=O)C(C)C)(C)C)OC(=O)c1ccccc1C(=O)OCc1ccccc1)C	0.83	1.0
Compound_10	O=C1CCC2(C(=C1)CC(C1C2CCC2(C1CCC2(C)O)C)C)C	0.56	1.0
Compound_11	c1ccc2c(c1)N(CC1CN3CCC1CC3)c1c(S2)cccc1	0.0	0.0
Compound_12	Cc1cc(C2CCCCC2)n(c(=O)c1)O	0.04	0.0
Compound_13	OC(=O)C(c1cccc(c1)Oc1ccccc1)C	0.02	0.0
Compound_14	Clc1ccc2c(c1)C(=NCc1n2cnn1)c1ccccc1	0.01	0.0
Compound_15	Cn1ccc(=O)c(c1C)O	0.01	0.0
Compound_16	O=CC1CCC2C1C1CCC2C1	0.89	1.0
Compound_17	CC1=CC(=O)C23CC1C(C)(C)C2CCC3C	0.87	1.0
Compound_18	CC(C1=NCCN1)Oc1c(Cl)cccc1Cl	0.0	0.0
Compound_19	CC(COc1c(C)cccc1C)N	0.02	0.0
Compound_20	CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CCOCC1)c1c(S2)cccc1	0.0	0.0
Compound_21	O=CC1CCC(=CC1)CCCC(O)(C)C	0.15	0.0
Compound_22	COc1cc(Br)c(cc1CC(N)C)OC	0.12	0.0
Compound_23	CC(=O)OC1CCC(CC1)C(C)(C)C	0.37	0.0
Compound_24	CC(=O)OC1CCC(=C)C2C(CC=C1C)C(C2)(C)C	0.84	1.0
Compound_25	OC1CC(O)C(=C)C(=CC=C2CCCC3(C2CCC3C(CCCC(O)(C)C)C)C)C1	0.02	0.0