Index	SMILES	Probability	Label
Compound_1	CCCCCCCCCC[N+](CCCCCCCCCC)(C)C	0.88	1.0
Compound_2	CCCCCCCCCCCCN1CCCCCC1=O	0.68	1.0
Compound_3	CC[NH+]=C1C=CC(=C(c2ccc(cc2)N(CC)CC)c2ccc(cc2)N(CC)CC)c2c1cccc2	0.3	0.0
Compound_4	CCCCCCCCCCCCCCCC[N+](C)(C)C	0.52	1.0
Compound_5	Oc1cc(O)c2c(c1)oc(cc2=O)c1ccccc1	0.99	1.0
Compound_6	CCCCC(COC(=O)c1ccccc1C(=O)O)CC	0.09	0.0
Compound_7	CC(c1ccc2c(c1)nc(o2)c1ccc(s1)c1nc2c(o1)ccc(c2)C(C)(C)C)(C)C	0.77	1.0
Compound_8	CCCCC(COP(=O)(OCC(CCCC)CC)OCC(CCCC)CC)CC	0.98	1.0
Compound_9	CCCCCCOC(=O)c1ccccc1C(=O)c1ccc(cc1O)N(CC)CC	0.52	1.0
Compound_10	CCN(c1nc(cc(n1)C)OP(=S)(OC)OC)CC	0.43	0.0
Compound_11	O=C1c2ccccc2N=C1c1c(O)[nH]c2c1cccc2	0.07	0.0
Compound_12	O=C(N1CCCCC1)C=CC=Cc1ccc2c(c1)OCO2	0.44	0.0
Compound_13	COc1ccc(cc1)c1cc(=O)c2c(o1)c(OC)c(c(c2OC)OC)OC	0.94	1.0
Compound_14	CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1	0.01	0.0
Compound_15	CCCCCCCCCCCCCCCC(=O)N	0.79	1.0
Compound_16	CCCCOC(=O)C(CC(=O)OCCCC)(CC(=O)OCCCC)O	0.41	0.0
Compound_17	CCCCCCCCCCCCCCCC(=O)NCCO	0.37	0.0
Compound_18	COC(=O)Nc1nc2c([nH]1)cc(cc2)Sc1ccccc1	0.36	0.0
Compound_19	CCCCC(COC(=O)c1ccccc1C(=O)OCC(CCCC)CC)CC	0.98	1.0
Compound_20	COc1cc2c(cc1O)occ(c2=O)c1ccc(cc1)O	0.97	1.0
Compound_21	COc1c(C)ccc2c1C(=O)c1ccc(cc1C2=O)O	0.99	1.0
Compound_22	CCCCOC(=O)c1ccccc1C(=O)OCCCC	0.92	1.0
Compound_23	O=C1OCC(c2c1cc1c(c2)C(C(C1(C)C)C)(C)C)C	0.98	1.0
Compound_24	COc1ccc(cc1)c1oc2c(OC)c(OC)c(c(c2c(=O)c1OC)OC)OC	0.89	1.0
Compound_25	CCCCCCCCOc1ccc(c(c1)O)c1nc(nc(n1)c1ccc(cc1C)C)c1ccc(cc1C)C	0.57	1.0
Compound_26	CCCCC(CNCC(CCCC)CC)CC	0.88	1.0
Compound_27	COc1cc2oc(cc(=O)c2c(c1OC)O)c1ccc(cc1)O	0.97	1.0
Compound_28	COc1ccc(cc1)c1cc(=O)c2c(o1)cc(c(c2OC)OC)OC	0.94	1.0
Compound_29	O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1	0.99	1.0
Compound_30	O=P(c1ccccc1)(c1ccccc1)c1ccccc1	0.99	1.0
Compound_31	OP(=O)(Oc1ccccc1)O	0.57	1.0
Compound_32	OC(=O)CCc1ccc(cc1)O	0.29	0.0