Index	SMILES	Probability	Label
Compound_1	CCN(CCSC(=O)C(c1ccccc1)c1ccccc1)CC	0.18	0.0
Compound_2	CCN(CCOC(=O)C(=C)C)CC	0.36	0.0
Compound_3	OCCN(CC)CC	0.93	1.0
Compound_4	CCN(CCNC(=O)c1ccc(cc1)NS(=O)(=O)C)CC	0.1	0.0
Compound_5	CCN(CCCC(Nc1cc(/C=C/c2ccccc2Cl)nc2c1ccc(c2)Cl)C)CC	0.06	0.0
Compound_6	CCN(CCCC(Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C)CC	0.02	0.0
Compound_7	CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC	0.0	0.0
Compound_8	CCN(CC(=O)Nc1c(C)cc(cc1C)C)CC	0.01	0.0
Compound_9	CCN(c1ccc2c(c1)oc(=O)cc2C)CC	0.76	1.0
Compound_10	CCN(c1ccc(cc1)N)CC	0.8	1.0
Compound_11	CCN(c1ccc(cc1)C(=C1C=CC(=[N+](CC)CC)C=C1)c1ccccc1)CC	0.05	0.0
Compound_12	CCN(c1ccc(c(c1)O)C(=O)c1ccccc1C(=O)O)CC	0.49	0.0
Compound_13	CCN(C(=S)SSC(=S)N(CC)CC)CC	0.96	1.0
Compound_14	CCN(C(=S)[S-])CC	0.97	1.0
Compound_15	CCN(C(=S)[S-])CC	0.97	1.0
Compound_16	CCN(C(=S)[S-])CC	0.97	1.0
Compound_17	NC[C@H]1C[C@@]1(c1ccccc1)C(=O)N(CC)CC	0.01	0.0
Compound_18	CCN(C(=O)/C(=C/c1cc(O)c(c(c1)N(=O)=O)O)/C#N)CC	0.01	0.0
Compound_19	CN(N=O)CC	0.84	1.0
Compound_20	OCCC(=C(N(Cc1cnc(nc1N)C)C=O)C)SSCCC	0.02	0.0
Compound_21	CCCOCC(=Nc1ccc(cc1C(F)(F)F)Cl)n1cncc1	0.05	0.0
Compound_22	CCCOc1ccccc1c1nc2n[nH]nc2c(=O)[nH]1	0.03	0.0
Compound_23	CCCOC(=O)CCCCC(=O)OCCC	0.97	1.0
Compound_24	CCCOC(=O)CC	0.98	1.0
Compound_25	CCCNC(COC(=O)c1ccccc1)(C)C	0.01	0.0