Index	SMILES	Probability	Label
Compound_1	CCCCCCCCCCCCc1ccccc1	0.95	1.0
Compound_2	CCCCCCCCCCCCc1ccc(cc1)O	0.97	1.0
Compound_3	CCCCCCCCCCCCc1cccc(c1)S(=O)(=O)O	0.33	0.0
Compound_4	CCCCCCCCCCCCC=C	0.97	1.0
Compound_5	CCCCCCCCCCCC[N+](C)(C)C	0.69	1.0
Compound_6	CCCCCCCCCCCC[N+](C)(C)C	0.69	1.0
Compound_7	CCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCC)COP(=O)(OCC[N+](C)(C)C)[O-]	0.39	0.0
Compound_8	CCCCCCCCCCCC(=O)OC	0.95	1.0
Compound_9	CCCCCCCCCCCC#N	0.93	1.0
Compound_10	CCCCCCCCCCC	1.0	1.0
Compound_11	CCCCCCCCCc1ccc(cc1)O	0.97	1.0
Compound_12	CCCCCCCCCC=O	0.96	1.0
Compound_13	CCCCCCCCCC(=O)OC	0.95	1.0
Compound_14	CCCCCCCCCC(=O)C	0.96	1.0
Compound_15	CCCCCCCCc1ccc(cc1)Nc1ccc(cc1)CCCCCCCC	0.94	1.0
Compound_16	CCCCCCCCC=O	0.96	1.0
Compound_17	CCCCCCCCC(CCCCCC)CO	0.97	1.0
Compound_18	CCCCCCCCC(=O)O	0.83	1.0
Compound_19	CCCCCCCCC	1.0	1.0
Compound_20	CCCCCCCC1CCC(=O)O1	0.88	1.0
Compound_21	CCCCCCCC=O	0.96	1.0
Compound_22	CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CO)O	0.52	1.0
Compound_23	CCCCCCCC/C=C\CCCCCCCC(=O)OCC	0.89	1.0
Compound_24	CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H]([C@H]1OC[C@@H]([C@H]1O)O)O	0.66	1.0
Compound_25	CCCCCCCC/C=C\CCCCCCCC(=O)O	0.95	1.0
Compound_26	CCCCCCCC/C=C\CCCCCCCC(=O)N(CC(=O)O)C	0.14	0.0
Compound_27	CCCCCCCC(OC)OC	0.88	1.0
Compound_28	CCCCCCCC(=O)OC	0.95	1.0
Compound_29	CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C/C(=C\C)/C)C=C2[C@H]1[C@@](C)(OC(=O)C)C[C@@H]([C@]1([C@H]2OC(=O)[C@@]1(C)O)O)OC(=O)CCC	0.22	0.0
Compound_30	CCCCCCCC(=O)O	0.91	1.0
Compound_31	CCCCCCCC(=O)N(C)C	0.95	1.0
Compound_32	CCCCCCc1ccc(cc1)N	0.96	1.0
Compound_33	CCCCCCC=O	0.95	1.0
Compound_34	CCCCCCC(O)C	0.89	1.0
Compound_35	CCCCCCC(S)(C)C	0.86	1.0
Compound_36	CCCCCCC(=O)OCC	0.95	1.0
Compound_37	CCCCCCC(=O)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C	0.1	0.0
Compound_38	CCCCCCC(=O)O	0.86	1.0
Compound_39	CCCCCC1CCC(=O)O1	0.86	1.0
Compound_40	CCCCCC1C(CCC1=O)CC(=O)OC	0.88	1.0
Compound_41	CCCCCC[C@H]1C(=O)O[C@H](C)[C@@H](C(=O)O[C@H]([C@@H]1OC(=O)CC(C)C)C)NC(=O)c1cccc(c1O)NC=O	0.06	0.0
Compound_42	CCCCCC/C=C/CCCCCCCC(=O)O	0.59	1.0
Compound_43	CCCCCC/C(=C\c1ccccc1)/C=O	0.63	1.0
Compound_44	CCCCCC(/C=C/C=O)O	0.69	1.0
Compound_45	CCCCCC(CCC)CO	0.97	1.0
Compound_46	CCCCCC(OC(=O)COc1ccc(c2c1nccc2)Cl)C	0.83	1.0
Compound_47	CCCCCC(=O)OCC	0.95	1.0
Compound_48	CCCCCC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C(=O)C	0.72	1.0
Compound_49	CCCCCC(=O)CC	0.89	1.0
Compound_50	CCCCCC(=O)C	0.93	1.0
Compound_51	CCCCCC(=Cc1ccccc1)C=O	0.69	1.0
Compound_52	CCCCCBr	0.96	1.0
Compound_53	CCCCC1CCC(=O)O1	0.92	1.0
Compound_54	CCCCc1ccccc1	0.1	0.0
Compound_55	CCCCc1ccc(cc1)N	0.95	1.0
Compound_56	CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2	0.01	0.0
Compound_57	CCCCC=O	0.97	1.0
Compound_58	CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O	0.05	0.0
Compound_59	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC	0.91	1.0
Compound_60	CCCCC(COP(=O)(Oc1ccccc1)Oc1ccccc1)CC	0.98	1.0
Compound_61	CCCCC(COP(=O)(Oc1ccccc1)Oc1ccccc1)CC	0.98	1.0
Compound_62	CCCCC(COC(=O)CCCCCCCC(=O)OCC(CCCC)CC)CC	0.09	0.0
Compound_63	CCCCC(COC(=O)CCCCC(=O)OCc1ccccc1)CC	0.73	1.0
Compound_64	CCCCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CC	0.11	0.0
Compound_65	CCCCC(COC(=O)CC(S(=O)(=O)[O-])C(=O)OCC(CCCC)CC)CC	0.56	1.0
Compound_66	CCCCC(COC(=O)c1ccccc1C(=O)O)CC	0.09	0.0
Compound_67	CCCCC(COC(=O)c1ccccc1C(=O)OCC(CCCC)CC)CC	0.98	1.0
Compound_68	CCCCC(COC(=O)c1ccccc1C(=O)OCC(CCCC)CC)CC	0.98	1.0
Compound_69	CCCCC(COC(=O)c1c(C(=O)OCC(CCCC)CC)c(Br)c(c(c1Br)Br)Br)CC	0.95	1.0
Compound_70	CCCCC(COC(=O)C=C)CC	1.0	1.0
Compound_71	CCCCC(COC(=O)C)CC	0.95	1.0
Compound_72	CCCCC(CO)CC	0.97	1.0
Compound_73	CCCCC(CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C[C@@H]2C=C1)CC	0.36	0.0
Compound_74	CCCCC(C=O)CC	0.96	1.0
Compound_75	CCCCC(C(C#C)O)CC	0.94	1.0
Compound_76	CCCCC(=O)O	0.57	1.0
Compound_77	CCCCC#N	0.9	1.0
Compound_78	CCCCC	0.97	1.0
Compound_79	CCCC1O[C@H]2[C@](O1)(C(=O)CO)[C@@]1([C@@H](C2)[C@@H]2CCC3=CC(=O)C=C[C@@]3([C@H]2[C@H](C1)O)C)C	0.91	1.0
Compound_80	CCCC1CCC(=O)O1	0.89	1.0
Compound_81	CCCc1ccccc1	0.91	1.0
Compound_82	CCCc1ccc(cc1)OC	0.92	1.0
Compound_83	CCCc1ccc(cc1)O	0.98	1.0
Compound_84	CCCc1ccc(cc1)N	0.96	1.0
Compound_85	CCCc1cc(=O)[nH]c(=S)[nH]1	0.88	1.0
Compound_86	CCCC=O	0.98	1.0
Compound_87	CCCC=NO	0.55	1.0
Compound_88	CCCC=C	0.97	1.0
Compound_89	CCCC[Sn](Cl)(Cl)Cl	0.99	1.0
Compound_90	CCCC[Sn](OC(=O)C=C)(CCCC)CCCC	0.98	1.0
Compound_91	CCCC[Sn](OC(=O)C(=C)C)(CCCC)CCCC	0.65	1.0
Compound_92	CCCC[Sn](O[Sn](CCCC)(CCCC)CCCC)(CCCC)CCCC	0.91	1.0
Compound_93	CCCC[Sn](CCCC)(CCCC)Cl	0.99	1.0
Compound_94	CCCC[Sn](CCCC)(CCCC)CCCC	0.99	1.0
Compound_95	CCCC[N+]1(C)CCCC1	0.6	1.0
Compound_96	CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC21CCN(CC2)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C	0.04	0.0
Compound_97	CCCC(=O)O	0.34	0.0
Compound_98	CCCC(C(=O)O)CCC	0.97	1.0
Compound_99	CCCC(C#C)O	0.86	1.0
Compound_100	CCCC(=O)OCCC(C)C	0.89	1.0