Index	SMILES	Probability	Label
Compound_1	CC1OC1P(=O)(O)O	0.02	0.0
Compound_2	Clc1ccccc1C(n1cncc1)(c1ccccc1)c1ccccc1	0.96	1.0
Compound_3	O=C1CCC(C23C1C(C)(C)C(C3)CC2)(C)C	0.35	0.0
Compound_4	OC(=O)C1N=C(c2ccccc2)c2c(NC1=O)ccc(c2)Cl	0.01	0.0
Compound_5	CC(=O)c1oc2c(c1C)cccc2	0.94	1.0
Compound_6	C=CC(=CC(=O)CC(C)C)C	0.21	0.0
Compound_7	O=C1Nc2ccc(cc2C2(N(C1)CCO2)c1ccccc1Cl)Cl	0.01	0.0
Compound_8	CN1CCN2C(C1)c1ccccc1Cc1c2cccc1	0.0	0.0
Compound_9	CCCCC1OC(C)CC(=C1)C	0.49	0.0
Compound_10	COc1c(CC=C(CCC(=O)O)C)c(O)c2c(c1C)COC2=O	0.16	0.0
Compound_11	CC(=O)c1nccs1	0.86	1.0
Compound_12	CN1CC(c2ccccc2)c2c(C1)c(N)ccc2	0.0	0.0
Compound_13	CC=C(C(=O)OCCC(CCC=C(C)C)C)C	0.71	1.0
Compound_14	CCCCCC1C(CCC1=O)CC(=O)OC	0.88	1.0
Compound_15	COc1ccc(c(c1)C(C)(C)C)O	0.99	1.0
Compound_16	Cc1onc(c1)C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NN1CCCCCC1	0.02	0.0
Compound_17	C=CCC1CN(C)CCC1(OC(=O)CC)c1ccccc1	0.04	0.0
Compound_18	NC(=O)OCC(c1ccccc1)COC(=O)N	0.01	0.0
Compound_19	O=C(c1ccccc1O)OC1CCCCC1	0.98	1.0
Compound_20	CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC	0.62	1.0
Compound_21	Cc1ccc(c(c1)OCCCC(C(=O)O)(C)C)C	0.01	0.0
Compound_22	Cc1cc(nnc1NCCN1CCOCC1)c1ccccc1	0.08	0.0
Compound_23	O=C1CC2(C)CCCC(C32C(C1C)C3)(C)C	0.8	1.0
Compound_24	CCC(c1cc(n2nc3c(n2)cccc3)c(c(c1)C(CC)(C)C)O)(C)C	0.97	1.0
Compound_25	OC(=O)Cc1ccc(n1C)C(=O)c1ccc(cc1)C	0.01	0.0
Compound_26	CC(CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C)C	0.98	1.0
Compound_27	O=C(C(c1ccc(cc1)O)N)NC1C(=O)N2C1SC(C2C(=O)O)(C)C	0.01	0.0
Compound_28	CC1Cc2c(N1NC(=O)c1ccc(c(c1)S(=O)(=O)N)Cl)cccc2	0.01	0.0
Compound_29	OC(COc1nsnc1N1CCOCC1)CNC(C)(C)C	0.0	0.0
Compound_30	OCC1CC2CC1C1C2C(CC1)CO	0.74	1.0
Compound_31	COc1cccc(c1)C1(O)CCCCC1CN(C)C	0.01	0.0
Compound_32	CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C	0.0	0.0
Compound_33	OS(=O)(=O)c1ccc2c(c1)[nH]c(n2)c1ccccc1	0.85	1.0
Compound_34	CC(CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C)C	0.96	1.0
Compound_35	O=C(c1ccccc1C(=O)OC1(C)CCCCC1)OC1(C)CCCCC1	0.88	1.0
Compound_36	OCCNC(=O)c1c(I)c(NC(=O)C)c(c(c1I)C(=O)O)I	0.0	0.0
Compound_37	CCC(=CCC1CC=C(C1(C)C)C)CO	0.13	0.0
Compound_38	CCCCNc1cc(cc(c1Oc1ccccc1)S(=O)(=O)N)C(=O)O	0.01	0.0
Compound_39	CC(CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C)C	0.96	1.0
Compound_40	CCn1nc(C(=O)O)c(=O)c2c1cc1OCOc1c2	0.01	0.0
Compound_41	O=C1Cc2ccccc2N(c2c1cccc2)C(=O)N	0.01	0.0
Compound_42	N#CC(c1ccccc1)(c1ccccc1)CCN1CCC(CC1)(C(=O)O)c1ccccc1	0.02	0.0
Compound_43	CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2	0.0	0.0
Compound_44	NNC(C(=O)O)(Cc1ccc(c(c1)O)O)C	0.06	0.0
Compound_45	Clc1ccc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl	0.01	0.0
Compound_46	Clc1ccc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1	0.02	0.0
Compound_47	O=C(Cc1c(Cl)cccc1Cl)N=C(N)N	0.01	0.0
Compound_48	OC(COc1ccc(cc1)CC(=O)N)CNC(C)C	0.0	0.0
Compound_49	CCOC(=O)C1N=C(c2c(NC1=O)ccc(c2)Cl)c1ccccc1F	0.02	0.0