Index	SMILES	Probability	Label
Compound_1	CCCCCc1cc(O)c2c(c1)OC(C1C2C=C(C)CC1)(C)C	0.21	0.0
Compound_2	CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2	0.0	0.0
Compound_3	CN1CCC(C1)CN1c2ccccc2Sc2c1cccc2	0.01	0.0
Compound_4	Nc1c(F)cnc(=O)[nH]1	0.01	0.0
Compound_5	CCCCCOC(=O)c1ccccc1O	0.98	1.0
Compound_6	Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2	0.01	0.0
Compound_7	CC(c1cccc(c1O)C(C)C)C	0.68	1.0
Compound_8	CC(=C)C1CC=C(C(C1)O)C	0.7	1.0
Compound_9	O=Cc1ccc(c(c1O)O)O	0.96	1.0
Compound_10	O=C1N=C(OC1c1ccccc1)N	0.0	0.0
Compound_11	O=C(N1c2ccccc2Sc2c1nccc2)OCCOCCN1CCCCC1	0.01	0.0
Compound_12	CC(COc1ccc2c(c1)cccc2)C	0.99	1.0
Compound_13	CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C	0.0	0.0
Compound_14	CCCCCC(=O)OCCC(C)C	0.91	1.0
Compound_15	C1CCC(CC1)(N1CCCC1)c1ccccc1	0.04	0.0
Compound_16	NC1=NCC(O1)c1ccccc1	0.03	0.0
Compound_17	O=C(c1ccccc1)Oc1c(C)cc(c2c1cccc2)O	0.99	1.0
Compound_18	CC1CCC(C(C1)O)C(C)C	0.05	0.0
Compound_19	CC(=C)C1CC=C(C(=O)C1)C	0.78	1.0
Compound_20	CCCCCC(=O)OC(C)C	0.82	1.0
Compound_21	Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)O	0.95	1.0
Compound_22	CCCCCCOC(=O)C(C)C	0.93	1.0
Compound_23	CCCCCC=CC(=O)OCC	0.97	1.0
Compound_24	CCOC(=O)C1(CCN(CC1)CCOCC1CCCO1)c1ccccc1	0.01	0.0
Compound_25	Cc1cccc(c1)N(C(=S)Oc1ccc2c(c1)cccc2)C	0.63	1.0
Compound_26	Cc1ccc(c(c1)C(C)(C)C)O	1.0	1.0
Compound_27	Cc1ccc(c(c1O)C)C	0.98	1.0
Compound_28	Cc1ccc(c(c1)n1nc2c(n1)cccc2)O	0.13	0.0
Compound_29	COc1c(OC)ncnc1NS(=O)(=O)c1ccc(cc1)N	0.03	0.0
Compound_30	O=C1c2c(N)ccc(c2C(=O)c2c1c(N)ccc2N)N	0.84	1.0
Compound_31	CNC(=S)N(C)C	0.76	1.0
Compound_32	CCOc1cc(C)ccc1O	0.93	1.0
Compound_33	N#Cc1ccc2c(c1)N(CCCN1CCC(CC1)O)c1c(S2)cccc1	0.0	0.0
Compound_34	OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(=O)CC	0.0	0.0
Compound_35	O=C1CCC2(C(=C1)C(C)CC1C2C(O)CC2(C1CCC2C(=O)C)C)C	0.22	0.0
Compound_36	OCCN1CCN(CC1)CCC=C1c2ccccc2Sc2c1cc(cc2)C(F)(F)F	0.01	0.0
Compound_37	CCNC(=S)Nc1ccccc1	0.81	1.0
Compound_38	OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(=O)C	0.01	0.0
Compound_39	O=C=NC(c1cccc(c1)C(N=C=O)(C)C)(C)C	0.88	1.0
Compound_40	COc1ccc(c(c1)CC(N)C)OC	0.05	0.0
Compound_41	Oc1ccc(c(c1)C)N	0.99	1.0
Compound_42	O=C1CN=C(c2c(N1)ccc(c2)Cl)c1ccccc1Cl	0.04	0.0
Compound_43	CCCOC(=O)C=Cc1ccccc1	0.99	1.0
Compound_44	CCCCCC(=O)OC(CCC=C(C)C)(C=C)C	0.59	1.0
Compound_45	CC(CCOC(=O)C=Cc1ccccc1)C	0.97	1.0
Compound_46	CC=C(C(=O)OCC(C)C)C	0.7	1.0
Compound_47	CCOC(CC(CCCC(O)(C)C)C)OCC	0.57	1.0
Compound_48	CC(OC(=O)C=Cc1ccccc1)C	0.96	1.0
Compound_49	O=C1C2(C)CCC(C1(C)C)C2	0.7	1.0
Compound_50	CCCCCC(=O)OC(CCC=C(C)C)(C=C)C	0.59	1.0