Index	SMILES	Probability	Label
Compound_1	CCCCC(CO)CC	0.97	1.0
Compound_2	COc1ccc2c(c1)c(OC(C)C)c(s2)C(=O)Nc1[n-]nnn1	0.75	1.0
Compound_3	CCCC1CCC(=O)O1	0.89	1.0
Compound_4	CCOC(=O)CC	0.92	1.0
Compound_5	CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1	0.91	1.0
Compound_6	C#CCOC(=O)[C@H](Oc1ccc(cc1)Oc1ncc(cc1F)Cl)C	0.74	1.0
Compound_7	CCOC(=O)CC(=O)OCC	0.75	1.0
Compound_8	CCNC(=S)NCC	0.7	1.0
Compound_9	O=C1CCCCCN1	0.06	0.0
Compound_10	Oc1ccc2c(c1)C(=O)N(C2=O)c1c(cccc1C(C)C)C(C)C	0.83	1.0
Compound_11	Cc1ccc(c(c1)C)O	0.99	1.0
Compound_12	C/C(=C\COC(=O)C)/CCC=C(C)C	0.62	1.0
Compound_13	CCCCOC(=O)CCCCC(=O)OCCCC	0.96	1.0
Compound_14	COC(=O)Nc1nc2c([nH]1)cccc2	0.89	1.0
Compound_15	CCOc1cccc(c1)n1cc(nc1c1ccc(cc1)C)C(=O)N1CCN(CC1)c1cc2ccccc2c(c1)C(=O)[O-]	0.01	0.0
Compound_16	COc1cc(ccc1Nc1ncc2c(n1)N(CC(C(=O)N2C)(F)F)C1CCCC1)C(=O)NC1CCN(CC1)C	0.01	0.0
Compound_17	OCCC(CCC=C(C)C)C	0.19	0.0
Compound_18	O=CCC(CCC=C(C)C)C	0.14	0.0
Compound_19	OC/C=C(/CCC=C(C)C)\C	0.06	0.0
Compound_20	OC/C=C(\CCC=C(C)C)/C	0.2	0.0
Compound_21	CCCC(=O)OCCC(C)C	0.89	1.0
Compound_22	CCCCCCC(=O)OCC	0.95	1.0
Compound_23	Cc1ccc(cc1)O	0.97	1.0
Compound_24	Cc1ccc(cc1)S	0.98	1.0
Compound_25	Clc1ccc(cc1)Cl	0.99	1.0
Compound_26	Nc1ccc(cc1)Cl	0.93	1.0
Compound_27	Oc1ccc(cc1)Cl	0.99	1.0
Compound_28	Cc1ccc(cc1)N	0.99	1.0
Compound_29	Nc1ccc(cc1)N	0.99	1.0
Compound_30	COC(=O)CCC(=O)OC	0.38	0.0
Compound_31	CCCCCC(=O)CC	0.89	1.0
Compound_32	CCC[Si](OC)(OC)OC	0.98	1.0
Compound_33	COCCO[Si](OCCOC)(OCCOC)C=C	0.83	1.0
Compound_34	C1OC1C1CCC2C(C1)O2	0.82	1.0
Compound_35	BrCCBr	0.07	0.0
Compound_36	O=C(N1CCC(CC1)C=C(c1ccccc1)c1ccccc1)CCCCCCCCc1cccnc1	0.05	0.0
Compound_37	OCC=C	0.99	1.0
Compound_38	ClCC=O	0.97	1.0
Compound_39	OCCO	0.98	1.0
Compound_40	CCCCCCCCCOS(=O)(=O)[O-]	0.95	1.0