Index	SMILES	Probability	Label
Compound_1	COC12CCC3(CC1C(C(C)(C)C)(O)C)C14C2Oc2c4c(CC3N(CC1)CC1CC1)ccc2O	0.36	0.0
Compound_2	ClC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)Cl	0.73	1.0
Compound_3	Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1	0.01	0.0
Compound_4	CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)CC	0.01	0.0
Compound_5	OC(=O)C(c1ccc2c(c1)[nH]c1c2cc(cc1)Cl)C	0.07	0.0
Compound_6	COC(=O)Nc1nc2c([nH]1)cc(cc2)S(=O)c1ccccc1	0.69	1.0
Compound_7	NC(c1ccccc1)C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)Cl	0.01	0.0
Compound_8	CCC12CC(=C)C3C(C1CCC2(O)C#C)CCC1=CCCCC31	0.03	0.0
Compound_9	C#CC1(O)CCC2C1(CC)CC(=C)C1C2CCC2=CC(=O)CCC12	0.09	0.0
Compound_10	CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O	0.03	0.0
Compound_11	O=C(c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F)NCC1CCCCN1	0.0	0.0
Compound_12	CC(=O)C1(C)CC2=C(CC1C)CCCC2(C)C	0.95	1.0
Compound_13	NCCON=C(c1ccc(cc1)C(F)(F)F)CCCCOC	0.25	0.0
Compound_14	CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F	0.89	1.0
Compound_15	CCCSc1ccc2c(c1)[nH]c(n2)NC(=O)OC	0.06	0.0
Compound_16	O=C1CCCCCCCCCCC(=O)OCCO1	0.86	1.0
Compound_17	O=C(N1CC(=O)N2C(C1)c1ccccc1CC2)C1CCCCC1	0.02	0.0
Compound_18	COCC1(CCN(CC1)CCc1cccs1)N(c1ccccc1)C(=O)CC	0.01	0.0