Index	SMILES	Probability	Label
Compound_1	CCOP(=O)(OCC)O	0.88	1.0
Compound_2	CCOP(=O)(OCC)OCC	0.96	1.0
Compound_3	CCCCOP(=O)(OCCCC)O	0.88	1.0
Compound_4	O=P(c1ccccc1)(c1ccccc1)c1ccccc1	0.99	1.0
Compound_5	CCCCC(COP(=O)(OCC(CCCC)CC)O)CC	0.96	1.0
Compound_6	O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1	0.99	1.0
Compound_7	CCCCC(COP(=O)(OCC(CCCC)CC)OCC(CCCC)CC)CC	0.98	1.0
Compound_8	CCCCCCCCCc1ccc(cc1)O	0.97	1.0
Compound_9	CCCCCCCCCCCCS(=O)(=O)O	0.28	0.0
Compound_10	CCCCCCCCCCCCOS(=O)(=O)O	0.42	0.0
Compound_11	CCCCCCCCCCCCCCOS(=O)(=O)O	0.42	0.0
Compound_12	CC(C1=CC2=CC[C@@H]3[C@]([C@H]2CC1)(C)CCC[C@@]3(C)C(=O)O)C	0.07	0.0
Compound_13	CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCO	0.5	0.0
Compound_14	CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)O	0.44	0.0
Compound_15	Cc1ccc(c(c1)n1nc2c(n1)cccc2)O	0.13	0.0
Compound_16	Clc1ccc2c(c1)nn(n2)c1cc(C)cc(c1O)C(C)(C)C	0.98	1.0
Compound_17	CCCCCCCCOc1ccc(c(c1)O)C(=O)c1ccccc1	0.96	1.0
Compound_18	Oc1c(cc(cc1C(c1ccccc1)(C)C)C(c1ccccc1)(C)C)n1nc2c(n1)cccc2	0.93	1.0
Compound_19	Oc1ccc2c(c1N=Nc1ccccc1)cccc2	0.63	1.0
Compound_20	Oc1ccc2c(c1N=Nc1ccc(cc1)N=Nc1ccccc1)cccc2	0.79	1.0
Compound_21	CCN(c1ccc2c(c1)oc(=O)c(c2)c1nc2c(o1)ccc(c2)S(=O)(=O)N)CC	0.26	0.0
Compound_22	CCOC(=O)c1ccccc1c1c2cc(C)c(=NCC)cc2oc2c1cc(C)c(c2)NCC	0.34	0.0
Compound_23	CC(c1ccc2c(c1)nc(o2)c1ccc(s1)c1nc2c(o1)ccc(c2)C(C)(C)C)(C)C	0.77	1.0
Compound_24	O[C@H]([C@H](/C(=C(/c1ccccc1)\C)/O)O)[C@@H]([C@@H](/C(=C(/c1ccccc1)\C)/O)O)O	0.72	1.0
Compound_25	CCc1ccc(cc1)C1OC2COC(OC2C(O1)C(CO)O)c1ccc(cc1)CC	0.45	0.0
Compound_26	CCOC(=O)/C=C/C=C/C	0.97	1.0
Compound_27	O=C(c1ccccc1)/C=C/c1ccccc1	0.89	1.0
Compound_28	CCCCCCCCCCCCCCC(=O)O	0.83	1.0
Compound_29	CCCCCC/C=C\CCCCCCCC(=O)O	0.19	0.0
Compound_30	CCCCCCCCCCCCCCCC(=O)O	0.79	1.0
Compound_31	CCCCC/C=C\C/C=C\CCCCCCCC(=O)O	0.03	0.0
Compound_32	CCCCCCCC/C=C\CCCCCCCC(=O)O	0.95	1.0
Compound_33	CCCCCCCC/C=C\CCCCCCCC(=O)N	0.08	0.0
Compound_34	CCCCCCCCCCCCCCCCCC(=O)N	0.79	1.0
Compound_35	CCCCCCCC/C=C\CCCCCCCCCC(=O)O	0.59	1.0
Compound_36	CCCCCCCCCCCCCCCCCC(=O)NCCO	0.74	1.0
Compound_37	CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O	0.59	1.0
Compound_38	CCCCCCCCCCCCCCCCCCCCCC(=O)O	0.9	1.0
Compound_39	CCCCCCCCCCCCCCCCCCCCCC(=O)N	0.79	1.0
Compound_40	CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CO)O	0.52	1.0
Compound_41	CCCCCCCCCCCCCCCC(=O)OC[C@H]([C@H]1OC[C@@H]([C@H]1O)O)O	0.62	1.0
Compound_42	CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H]([C@H]1OC[C@@H]([C@H]1O)O)O	0.66	1.0
Compound_43	CCCCCCCCCCCCCCCCCC(=O)O	0.89	1.0
Compound_44	N(Cc1ccccc1)Cc1ccccc1	0.34	0.0