Index	SMILES	Probability	Label
Compound_1	CC(CC(NC1=CC(=O)C(=CC1=O)Nc1ccccc1)C)C	0.19	0.0
Compound_2	CC(=C)CC(=C)NC1=CC(=O)C(=CC1=O)Nc1ccccc1	0.84	1.0
Compound_3	CC(=C)CC(=O)C	0.79	1.0
Compound_4	CC(=C)CC(Nc1c(O)cc(c(c1SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O)Nc1ccccc1)C	0.05	0.0
Compound_5	CC(CC(=C)NC1=C(SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)C(=O)C(=CC1=O)Nc1ccccc1)C	0.04	0.0
Compound_6	O=C1C=C(N)C(=O)C=C1Nc1ccccc1	0.45	0.0
Compound_7	O=C1C=C(N)C(=O)C=C1NC1=CC=CC2C1O2	0.07	0.0
Compound_8	CC(C(C(=O)C)O)C	0.63	1.0
Compound_9	CC(CC(N)C)C	0.4	0.0
Compound_10	CC(NC1=CC(=O)C(=O)CC1=O)CC(C)C	0.13	0.0
Compound_11	Oc1ccccc1O	0.99	1.0
Compound_12	CC(CC(Nc1cc(O)c(c(c1O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)Nc1ccccc1)C)C	0.04	0.0
Compound_13	NC1=CC(=O)C(=CC1=O)N	0.34	0.0
Compound_14	OC1CC(N)C(CC1Nc1ccccc1)O	0.05	0.0
Compound_15	OC(=O)C(=O)CC=C	0.68	1.0
Compound_16	OC(=O)C=CC=CC(=O)O	0.21	0.0
Compound_17	CC(Nc1coc(=O)c(c(c1=O)O)O)CC(C)C	0.14	0.0
Compound_18	CC(CC(NC1CC(O)C(CC1=O)Nc1ccccc1)C)C	0.06	0.0
Compound_19	OC1CC(=O)C(CC1Nc1ccccc1)O	0.1	0.0
Compound_20	CC(NC1CC(O)C(=O)CC1O)CC(C)C	0.02	0.0
Compound_21	CC(CC(NC1CC(O)C(CC1O)Nc1ccc(c(c1O)O)O)C)C	0.15	0.0
Compound_22	OCC(CC(NC1=CC(=O)C(=CC1=O)Nc1ccccc1)C)C	0.01	0.0
Compound_23	OCC(NC1=CC(O)C(=CC1=O)Nc1ccccc1)CC(C)C	0.03	0.0
Compound_24	CC(CC(NC1=C(O)C(=O)C(=C(C1=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)Nc1ccccc1)C)C	0.02	0.0
Compound_25	CC(=C)CC(NC1=CC(=O)C(=CC1=O)Nc1ccccc1)C	0.54	1.0
Compound_26	OCC(NC1=CC(=O)C(=CC1=O)Nc1ccccc1)CC(=C)C	0.03	0.0
Compound_27	OCC(NC1=CC(=O)C(=CC1=O)NC1=CC=CC2C1O2)CC(C)C	0.03	0.0
Compound_28	CC(c1ccc(cc1)O)(CC(C)(C)C)C	0.99	1.0
Compound_29	Oc1ccc(cc1O)C(CC(C)(C)C)(C)C	0.98	1.0
Compound_30	OC(=O)C1OC(Oc2ccc(cc2O)C(CC(C)(C)C)(C)C)C(C(C1O)O)O	0.68	1.0
Compound_31	O=CC(c1ccc(cc1)O)(CC(C)(C)C)C	0.99	1.0
Compound_32	OCC(c1ccc(cc1)OS(=O)(=O)O)(CC(C)(C)C)C	0.19	0.0
Compound_33	O=CC(=CC=C(C(=O)[O-])O)C(CC(C)(C)C)(C)C	0.26	0.0
Compound_34	OC(=O)C=C(C(CC(C)(C)C)(C)C)C=CC(=O)O	0.27	0.0
Compound_35	OC(=O)C1OC(Oc2ccc(cc2)C(CC(C)(C)C)(C)C)C(C(C1O)O)O	0.53	1.0
Compound_36	OCC(c1ccc(c(c1)O)O)(CC(C)(C)C)C	0.7	1.0