Index	SMILES	Probability	Label
Compound_1	C=CCc1ccc(c(c1)OC)O	0.11	0.0
Compound_2	CC(COC(=O)C(=C)C)C	0.74	1.0
Compound_3	OCC1CCCO1	0.97	1.0
Compound_4	CC1=CCC(CC1)C(O)(C)C	0.08	0.0
Compound_5	ClC(=O)c1ccccc1	0.97	1.0
Compound_6	NC(=O)c1cccnc1	0.77	1.0
Compound_7	NC(=O)c1cnccn1	0.96	1.0
Compound_8	CCCCOc1cc(ccc1N)C(=O)OCCN(CC)CC	0.0	0.0
Compound_9	CC(=C)C1CC=C(C(C1)O)C	0.7	1.0
Compound_10	CCCC(C(=O)O)CCC	0.97	1.0
Compound_11	COC(=O)c1ccc(cc1)O	0.96	1.0
Compound_12	CCOC(=O)CCCCCCCCC(c1ccc(cc1)I)C	0.94	1.0
Compound_13	Cc1ccc(cc1)C(C)C	0.99	1.0
Compound_14	Oc1ccc(cc1)C(=O)O	0.89	1.0
Compound_15	NC(=N)c1ccc(cc1)OCCCCCOc1ccc(cc1)C(=N)N	0.05	0.0
Compound_16	CCc1ccccc1	0.97	1.0
Compound_17	C=Cc1ccccc1	1.0	1.0
Compound_18	NCc1ccccc1	0.8	1.0
Compound_19	OCc1ccccc1	0.07	0.0
Compound_20	O=Cc1ccccc1	0.79	1.0
Compound_21	CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C	0.22	0.0
Compound_22	CNC(Cc1ccccc1)(C)C	0.6	1.0
Compound_23	C1N2CN3CN1CN(C2)C3	0.22	0.0
Compound_24	O=C(Nc1ccc(c(c1)Cl)Cl)Nc1ccc(cc1)Cl	0.96	1.0
Compound_25	OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)N2C	0.0	0.0
Compound_26	CC(Nc1ccc(cc1)Nc1ccccc1)C	0.33	0.0
Compound_27	Nc1ccc(cc1)Oc1ccc(cc1)N	0.99	1.0
Compound_28	c1ccc(cc1)Oc1ccccc1	0.99	1.0
Compound_29	CCCCCC(=Cc1ccccc1)CO	0.66	1.0
Compound_30	CCCCCCC(=Cc1ccccc1)C=O	0.63	1.0
Compound_31	O=C(Cc1ccccc1)OCC=C(CCC=C(C)C)C	0.54	1.0
Compound_32	CCCCC(COC(=O)C)CC	0.95	1.0
Compound_33	Oc1ccc(cc1)OCc1ccccc1	0.97	1.0
Compound_34	COC(=O)C=Cc1ccccc1	0.96	1.0
Compound_35	CCOC(=O)C=Cc1ccccc1	0.99	1.0
Compound_36	CC(CC(=O)OCc1ccccc1)C	0.97	1.0
Compound_37	O=C(C=Cc1ccccc1)OCc1ccccc1	0.97	1.0
Compound_38	O=C(C=Cc1ccccc1)OCCc1ccccc1	0.95	1.0
Compound_39	CC(=O)OCC=Cc1ccccc1	0.99	1.0
Compound_40	CCC(=O)OCC=Cc1ccccc1	0.96	1.0
Compound_41	CC(C(=O)OCC=Cc1ccccc1)C	0.91	1.0
Compound_42	CCCC(=O)OCC=Cc1ccccc1	0.98	1.0
Compound_43	BrC=Cc1ccccc1	0.93	1.0
Compound_44	CC(=O)Nc1ccc(cc1)O	0.91	1.0
Compound_45	O=C(C(C)C)Oc1ccc(cc1)C	0.97	1.0
Compound_46	O=CCc1ccc(cc1)C	0.81	1.0
Compound_47	CCOCCOC(=O)C=Cc1ccc(cc1)OC	0.96	1.0
Compound_48	OCC(COc1ccc(cc1)Cl)O	0.52	1.0
Compound_49	OCC=Cc1ccccc1	0.82	1.0
Compound_50	O=Cc1ccc(cc1)C	0.97	1.0
Compound_51	CCc1ccc(nc1)C	0.9	1.0
Compound_52	COc1ccc(cc1)C	0.85	1.0
Compound_53	NCCc1ccn[nH]1	0.13	0.0
Compound_54	CCOC(=O)CC	0.91	1.0
Compound_55	COC(=O)CC(=O)C	0.77	1.0
Compound_56	CCOC(=O)CC(=O)OCC	0.75	1.0
Compound_57	Cc1ccc(c(c1)C)O	0.99	1.0
Compound_58	CC(=CCOC(=O)C)CCC=C(C)C	0.62	1.0
Compound_59	CCC(=O)OCC=C(CCC=C(C)C)C	0.78	1.0
Compound_60	CCC(=O)OCC=C(CCC=C(C)C)C	0.78	1.0
Compound_61	O=C1CCCCCCCCCCCC(=O)OCCO1	0.86	1.0
Compound_62	O=C1CCCCCCCCCCCCCCO1	0.96	1.0
Compound_63	OCCC(CCC=C(C)C)C	0.19	0.0
Compound_64	OCC=C(CCC=C(C)C)C	0.2	0.0
Compound_65	OCC=C(CCC=C(C)C)C	0.2	0.0
Compound_66	CCCC(=O)OCC=C(CCC=C(C)C)C	0.83	1.0
Compound_67	NCC(=O)CCC(=O)O	0.01	0.0
Compound_68	COC(=O)CCC(=O)OC	0.38	0.0
Compound_69	ClCC1CO1	0.16	0.0
Compound_70	CC(CC(O)(C)C)O	0.73	1.0
Compound_71	O=CCC(CCCC(O)(C)C)C	0.29	0.0
Compound_72	OCCN(C)C	0.68	1.0
Compound_73	CC(CC(=O)C)C	0.9	1.0
Compound_74	CC(CC(O)C)C	0.57	1.0
Compound_75	CC(=C)OC(=O)C	0.89	1.0
Compound_76	CC(=O)OC(=O)C	0.82	1.0
Compound_77	Cc1cccc(c1)O	0.95	1.0
Compound_78	Oc1cccc(c1)O	0.97	1.0
Compound_79	COC(=O)CC(=O)OC	0.65	1.0
Compound_80	OC1CCCCC1	0.88	1.0
Compound_81	O=C1CCCCC1	0.96	1.0
Compound_82	Oc1ccccc1	0.96	1.0
Compound_83	OC(=O)CCC(=O)O	0.05	0.0
Compound_84	CC(CCON=O)C	0.77	1.0
Compound_85	CC(=O)CCC=C(C)C	0.19	0.0
Compound_86	CCCCCC#CC(=O)OC	0.98	1.0
Compound_87	CCCCCCCCC(=O)O	0.83	1.0
Compound_88	CCC(C#C)(C=CCl)O	0.14	0.0
Compound_89	CCC(NC(=O)C1CN(C)C2C(=C1)c1cccc3c1c(C2)c[nH]3)CO	0.01	0.0
Compound_90	COC(=O)C(c1ccccc1)C1CCCCN1	0.0	0.0
Compound_91	CN(CCC=C1c2ccccc2Sc2c1cc(Cl)cc2)C	0.01	0.0
Compound_92	NC(=NCCc1ccccc1)N=C(N)N	0.09	0.0
Compound_93	C#CC(O)(C)C	0.75	1.0
Compound_94	CCC1(C(=O)NC(=O)N(C1=O)C)c1ccccc1	0.02	0.0
Compound_95	CCC(C1(CC=C)C(=O)NC(=O)NC1=O)C	0.06	0.0
Compound_96	CCC1(C)OC(=O)N(C1=O)C	0.37	0.0
Compound_97	C=CC(OC(=O)C)(CCC=C(C)C)C	0.56	1.0