Index	SMILES	Probability	Label
Compound_1	CC(=C)c1cccc(c1)C(=C)C	0.93	1.0
Compound_2	O=C=NC(c1cccc(c1)C(N=C=O)(C)C)(C)C	0.88	1.0
Compound_3	CC(c1cc(cc(c1)C(C)C)C(C)C)C	0.99	1.0
Compound_4	Cc1cc(C)cc(c1)C	0.99	1.0
Compound_5	C=CCOc1c(Br)cc(cc1Br)Br	0.95	1.0
Compound_6	Clc1ccc(c(c1)Cl)Cl	0.4	0.0
Compound_7	Clc1cc(Cl)c(c(c1Cl)Cl)Cl	0.25	0.0
Compound_8	Clc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl	0.38	0.0
Compound_9	Clc1ccc(cc1)S(=O)(=O)c1ccc(cc1)Cl	0.99	1.0
Compound_10	O=S(=O)(c1ccccc1)c1ccccc1	0.95	1.0
Compound_11	Brc1c(Oc2c(Br)c(Br)c(c(c2Br)Br)Br)c(Br)c(c(c1Br)Br)Br	1.0	1.0
Compound_12	c1ccc(cc1)Oc1ccccc1	0.99	1.0
Compound_13	C(Oc1ccccc1)COc1ccccc1	0.99	1.0
Compound_14	BrCC(COc1c(Br)cc(cc1Br)C(c1cc(Br)c(c(c1)Br)OCC(CBr)Br)(C)C)Br	0.99	1.0
Compound_15	C=C(c1ccccc1)CC(c1ccccc1)(C)C	0.98	1.0
Compound_16	CC(C(c1ccccc1)(C)C)(c1ccccc1)C	0.99	1.0
Compound_17	CCCCCCCCCCOc1ccc(cc1C(CC)C)C(c1ccccc1)(c1ccccc1)c1ccccc1	0.73	1.0
Compound_18	C=Cc1ccc(cc1)C(C)(C)C	0.98	1.0
Compound_19	CO[Si](c1ccccc1)(OC)OC	0.97	1.0
Compound_20	CCO[Si](c1ccccc1)(OCC)OCC	0.98	1.0
Compound_21	C[Si](c1ccccc1)(Cl)Cl	0.98	1.0
Compound_22	ClCc1ccccc1	0.97	1.0
Compound_23	COC(Cc1ccccc1)OC	0.87	1.0
Compound_24	c1ccccc1	0.99	1.0
Compound_25	c1ccc(cc1)Nc1ccccc1	0.99	1.0
Compound_26	CNc1ccccc1	0.98	1.0
Compound_27	CC(c1cccc(c1N=C=Nc1c(cccc1C(C)C)C(C)C)C(C)C)C	0.76	1.0
Compound_28	CN(c1ccccc1)C	0.81	1.0
Compound_29	Nc1ccc(cc1)N(=O)=O	0.96	1.0
Compound_30	Cc1ccc(cc1)N	0.99	1.0
Compound_31	Nc1ccc(cc1)Cl	0.93	1.0
Compound_32	Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N	0.05	0.0
Compound_33	Nc1ccc(cc1)Oc1ccc(cc1)N	0.99	1.0
Compound_34	CCC(Nc1ccc(cc1)Cc1ccc(cc1)NC(CC)C)C	0.69	1.0
Compound_35	CCc1cc(Cc2cc(CC)c(c(c2Cl)CC)N)c(c(c1N)CC)Cl	0.9	1.0
Compound_36	Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N	0.99	1.0
Compound_37	CCc1cc(Cc2cc(CC)c(c(c2)CC)N)cc(c1N)CC	0.59	1.0
Compound_38	Nc1ccc(cc1)Cc1ccc(cc1)N	0.99	1.0
Compound_39	Clc1cc(ccc1N)C1(c2ccc(c(c2)Cl)N)c2ccccc2c2c1cccc2	0.99	1.0
Compound_40	CC(c1ccccc1)(c1ccc(cc1)Nc1ccc(cc1)C(c1ccccc1)(C)C)C	1.0	1.0
Compound_41	CC(c1ccc(cc1)Nc1ccc(cc1)C(CC(C)(C)C)(C)C)(CC(C)(C)C)C	0.99	1.0
Compound_42	Nc1cccc(c1)S(=O)(=O)c1cccc(c1)N	0.65	1.0
Compound_43	COc1ccc(cc1N)C	0.99	1.0
Compound_44	CCc1cccc(c1N)C	0.79	1.0
Compound_45	Nc1ccccc1	1.0	1.0
Compound_46	COc1ccccc1C(=O)NS(=O)(=O)c1ccc(cc1)C(=O)NC1CC1	0.04	0.0
Compound_47	CCN(C(=O)c1cccc(c1)C)CC	0.55	1.0
Compound_48	CCOc1cc2N=c3c(Oc2cc1NC(=O)c1ccccc1)c(NC(=O)C)c1=Nc2c(Oc1c3NC(=O)C)cc(c(c2)OCC)NC(=O)c1ccccc1	0.06	0.0
Compound_49	O=C(c1ccccc1)Nc1ccccc1SSc1ccccc1NC(=O)c1ccccc1	0.96	1.0
Compound_50	CC(=O)C(C(=O)Nc1cc(Cl)c(cc1C)NC(=O)C(C(=O)C)N=Nc1cc(ccc1Cl)C(=O)Nc1cccc(c1C)Cl)N=Nc1cc(ccc1Cl)C(=O)Nc1cccc(c1C)Cl	0.33	0.0
Compound_51	O=C(C(C(=O)C)N=Nc1cc(ccc1Cl)C(=O)Nc1cc(Cl)ccc1C)Nc1cc(C)c(cc1C)NC(=O)C(C(=O)C)N=Nc1cc(ccc1Cl)C(=O)Nc1cc(Cl)ccc1C	0.33	0.0
Compound_52	CCCCCCCCC(COc1ccccc1C(=O)N)CCCCCC	0.27	0.0
Compound_53	COc1ccc(cc1)C=O	0.96	1.0
Compound_54	COc1cc(C=O)ccc1O	0.93	1.0
Compound_55	CCOc1cc(C=O)ccc1O	0.97	1.0
Compound_56	O=Cc1ccc(c(c1)C)C	0.98	1.0
Compound_57	O=Cc1ccccc1	0.79	1.0
Compound_58	CCOC(=O)C(NC1CCC(CC1C)CC1CCC(C(C1)C)NC(C(=O)OCC)CC(=O)OCC)CC(=O)OCC	0.08	0.0
Compound_59	CCOC(=O)CC(C(=O)OCC)NCCCC(CNC(C(=O)OCC)CC(=O)OCC)C	0.07	0.0
Compound_60	Cc1ccc(cc1)C	0.99	1.0
Compound_61	c1ccc2c(c1)cc1c(c2)cccc1	1.0	1.0
Compound_62	COc1cc2c3ccccc3C(=O)c3c2c2c1c1c(OC)cc4c5c1c(c2cc3)ccc5C(=O)c1c4cccc1	0.99	1.0
Compound_63	O=C1c2ccccc2c2c3c1ccc1c3c(cc2)c2c3c1ccc1c3c(cc2)c2c(C1=O)cccc2	1.0	1.0
Compound_64	O=c1c2ccc3c4c2c(c(=O)n1C)ccc4c1c2c3ccc3c2c(cc1)c(=O)n(c3=O)C	0.26	0.0
Compound_65	O=c1c2ccc3c4c2c(c(=O)n1c1ccc(cc1)N=Nc1ccccc1)ccc4c1c2c3ccc3c2c(cc1)c(=O)n(c3=O)c1ccc(cc1)N=Nc1ccccc1	0.11	0.0
Compound_66	Cc1cc(cc(c1)C)n1c(=O)c2ccc3c4c2c(c1=O)ccc4c1c2c3ccc3c2c(cc1)c(=O)n(c3=O)c1cc(C)cc(c1)C	0.55	1.0
Compound_67	O=c1[nH]c(=O)c2c3c1ccc1c3c(cc2)c2c3c1ccc1c3c(cc2)c(=O)[nH]c1=O	0.4	0.0
Compound_68	CCCCCCCCCCCC(=O)NCCO	0.74	1.0
Compound_69	CCCCC	0.97	1.0
Compound_70	CCCCCCCCCCCCCC	1.0	1.0
Compound_71	CCCCCCCCCCCC	1.0	1.0
Compound_72	COC(=O)CN(c1cc(NC(=O)C)c(cc1OC)N=Nc1c(Cl)cc(cc1C#N)N(=O)=O)C(C(=O)OC)C	0.43	0.0
Compound_73	ClC(=O)C(Cl)Cl	0.95	1.0
Compound_74	N#CCN(CC#N)CC#N	0.5	0.0
Compound_75	N#CCN(CC#N)CCN(CC#N)CC#N	0.57	1.0
Compound_76	CC#N	0.91	1.0
Compound_77	CCCOC(=O)C	0.98	1.0
Compound_78	CC(=O)OCc1ccccc1	0.98	1.0
Compound_79	COC(=O)C	0.86	1.0
Compound_80	CCCCOC(=O)C	0.98	1.0
Compound_81	CC(=O)OCCc1ccccc1	0.91	1.0
Compound_82	CC(COC(=O)C)C	0.95	1.0
Compound_83	COCC(=O)O	0.96	1.0
Compound_84	CCCCC(COC(=O)CS)CC	0.94	1.0
Compound_85	SCC(=O)OCCOC(=O)CS	0.8	1.0
Compound_86	OC(=O)CS	0.88	1.0
Compound_87	CCCCOC(=O)CO	0.98	1.0
Compound_88	OCC(=O)O	0.04	0.0
Compound_89	CCCCC(COC(=O)C)CC	0.95	1.0
Compound_90	OC(=O)CCl	0.8	1.0
Compound_91	O=C(C(F)(F)F)OC(=O)C(F)(F)F	0.96	1.0
Compound_92	OC(=O)C(F)(F)F	0.97	1.0
Compound_93	CCC(=O)OCC(=O)OC(C1CCCC(C1)(C)C)C	0.85	1.0
Compound_94	CC(OC(=O)C)C	0.92	1.0
Compound_95	CC(=O)OC(C)(C)C	0.93	1.0
Compound_96	CC(=O)O[Si](OC(C)(C)C)(OC(C)(C)C)OC(=O)C	0.9	1.0
Compound_97	CC(=O)OC(=O)C	0.82	1.0
Compound_98	CCOC(=O)C	0.97	1.0
Compound_99	CC(=O)OC=C	0.98	1.0
Compound_100	CC(=O)O	0.24	0.0
Compound_101	CC(=O)N(C)C	0.45	0.0
Compound_102	CC(=O)N(C(=O)C)CCN(C(=O)C)C(=O)C	0.19	0.0
Compound_103	N#CC(=c1[nH]c(=C2C(=O)NC(=O)NC2=O)c2c1cccc2)C(=O)NC	0.03	0.0
Compound_104	CC=NO	0.52	1.0
Compound_105	O=CC(Cl)(Cl)Cl	0.97	1.0
Compound_106	CC=O	0.99	1.0
Compound_107	CCCCCCCCC=CCCCCCCCC(=O)OC(C)C	0.89	1.0
Compound_108	CCCCCCCCC=CCCCCCCCC(=O)NCCNC(=O)CCCCCCCC=CCCCCCCCC	0.34	0.0
Compound_109	CC(c1ccc2c(c1)c(=O)c1c(s2)cccc1)C	0.99	1.0
Compound_110	Cc1ccc(cc1)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)O	0.99	1.0
Compound_111	O=C1c2cccc(c2C(=O)c2c1cccc2Sc1ccccc1)Sc1ccccc1	0.98	1.0
Compound_112	Oc1ccc(c2c1C(=O)c1ccccc1C2=O)O	0.99	1.0
Compound_113	Nc1c(Oc2ccccc2)c(Oc2ccccc2)c(c2c1C(=O)c1ccccc1C2=O)N	0.9	1.0
Compound_114	CCc1cccc(c1Nc1ccc(c2c1C(=O)c1c(C2=O)cccc1)Nc1c(C)cccc1CC)C	0.78	1.0
Compound_115	O=C1c2c(ccc(c2C(=O)c2c1cccc2)Nc1c(C)cc(cc1C)C)Nc1c(C)cc(cc1C)C	0.91	1.0
Compound_116	O=C(C1CCC2C(C1)O2)OCC1CCC2C(C1)O2	0.73	1.0
Compound_117	CCCCC(COC(=O)C1CCC2C(C1)O2)CC	0.9	1.0
Compound_118	CO[Si](CCC1CCC2C(C1)O2)(OC)OC	0.86	1.0
Compound_119	CCO[Si](CCC1CCC2C(C1)O2)(OCC)OCC	0.96	1.0
Compound_120	C=CC(CCCC(OC(=O)C)(C)C)C	0.75	1.0
Compound_121	C=CC(CCCC(O)(C)C)C	0.28	0.0
Compound_122	CC(CC#N)CCC=C(C)C	0.26	0.0
Compound_123	CC(CCC=C(C)C)CCOC(=O)C	0.64	1.0
Compound_124	OCCC(CCC=C(C)C)C	0.19	0.0
Compound_125	CC(CCC(C#CC(CCC(C)C)(O)C)(O)C)C	0.62	1.0
Compound_126	O=C1OC(=O)c2c1cc(cc2)C(=O)O	0.13	0.0
Compound_127	O=CC(CCC=C(C)C)C	0.13	0.0
Compound_128	CC(=O)CCC=C(C)C	0.19	0.0
Compound_129	CC(CC(C#CC(CC(C)C)(O)C)(O)C)C	0.7	1.0
Compound_130	CCN(c1ccc2c(c1)oc(=O)c(c2)c1nc2c(o1)ccc(c2)S(=O)(=O)N)CC	0.07	0.0
Compound_131	O=c1c2c3[nH]c4ccc5c(c4[nH]c3ccc2c(=O)c2c1cccc2)c(=O)c1c(c5=O)cccc1	0.28	0.0
Compound_132	CCCCOCCOCCOCOCCOCCOCCCC	0.99	1.0
Compound_133	N#Cc1ccncc1	0.96	1.0
Compound_134	OC1CC(C)(C)NC(C1)(C)C	0.02	0.0
Compound_135	CC(C(C=CC1CC=C(C1(C)C)C)C)O	0.52	1.0
Compound_136	CCCCC(C(CC)N)O	0.2	0.0
Compound_137	CC(CC(CC(=O)CC(C)C)C)C	0.95	1.0
Compound_138	CC(CC(CC(CC(C)C)O)C)C	0.67	1.0
Compound_139	O1CCN(CC1)CCCNc1cccc2c1cccc2	0.04	0.0
Compound_140	OS(=O)(=O)CCN1CCOCC1	0.05	0.0
Compound_141	O=CN1CCOCC1	0.27	0.0
Compound_142	S=C(N1CCOCC1)SN1CCOCC1	0.4	0.0
Compound_143	O=c1ccoc(c1O)C	0.3	0.0
Compound_144	CCc1occc(=O)c1O	0.6	1.0
Compound_145	O=C1CCCC2=C1C(C)(C)C(C2(C)C)C	0.98	1.0
Compound_146	CC(CC(=O)CC(C)C)C	0.87	1.0
Compound_147	CCCC(=O)CCC	0.92	1.0
Compound_148	OC(CC(C)C)CC(C)C	0.61	1.0
Compound_149	O=c1oc(nc2c1cccc2)c1ccc(cc1)c1nc2ccccc2c(=O)o1	0.16	0.0
Compound_150	O=C1OC(=O)C2C1C1(Cl)C(=C(C2(C1(Cl)Cl)Cl)Cl)Cl	0.48	0.0
Compound_151	C1=CC2C(C1)C1C=CC2C1	0.77	1.0
Compound_152	C1=CC2C(C1)C1CCC2C1	0.87	1.0
Compound_153	CC(=O)OC1CC2CC1C1C2C=CC1	0.99	1.0
Compound_154	OC(=O)c1cccnc1	0.12	0.0
Compound_155	N#Cc1c(C)c(N=Nc2cccc(c2)OS(=O)(=O)c2ccccc2)c(n(c1=O)C)O	0.36	0.0
Compound_156	N#Cc1cccnc1	0.9	1.0
Compound_157	O=C(C(C)(C)C)CCc1ccc(cc1)Cl	0.95	1.0
Compound_158	CCC1(CO)COC1	0.85	1.0
Compound_159	CCC(CCCC(C)C)(O)C	0.67	1.0
Compound_160	CCOC(=O)C1=NOC(C1)(c1ccccc1)c1ccccc1	0.06	0.0
Compound_161	CCOC(=O)CN(C(=O)Oc1n2nc([nH]c2c(c1C#N)C(=O)OC1C(CC(CC1C(C)(C)C)C)C(C)(C)C)c1ccc(cc1)C(C)(C)C)CC(=O)OCC	0.04	0.0
Compound_162	CC1=NN(C(=O)C1C=C1C(=NN(C1=O)c1ccccc1)C)c1ccccc1	0.06	0.0
Compound_163	Cc1ccc(cc1)N1N=C(C(C1=O)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC1C(=NN(C1=O)c1ccc(cc1)C)C)C	0.55	1.0
Compound_164	CC1=NN(C(=O)C1N=Nc1ccccc1)c1ccccc1	0.11	0.0
Compound_165	O=C1c2ccccc2NC1=C1Nc2c(C1=O)cccc2	0.13	0.0
Compound_166	CC(C#CC(O)C)O	0.79	1.0
Compound_167	O=CC1CCC(=CC1)CCCC(O)(C)C	0.1	0.0
Compound_168	C#CC(O)(C)C	0.75	1.0
Compound_169	CC(=O)C=CC1=C(C)CCCC1(C)C	0.96	1.0
Compound_170	CC1=CCCC(C1C=C(C(=O)C)C)(C)C	0.59	1.0
Compound_171	CN(CCOCCN(C)C)CCOCCN(C)C	0.6	1.0
Compound_172	COCCOCCOCCOCCO	0.98	1.0
Compound_173	C=COCCOCCOCCOC=C	0.98	1.0
Compound_174	NCCNCCNCCNCCNCCN	0.02	0.0
Compound_175	CCO[Si](OCC)(OCC)CCCSSCCC[Si](OCC)(OCC)OCC	0.97	1.0
Compound_176	CNc1cnn(c(=O)c1Cl)c1cccc(c1)C(F)(F)F	0.04	0.0
Compound_177	Cn1sc(cc1=O)Cl	0.54	1.0
Compound_178	Cn1sccc1=O	0.22	0.0
Compound_179	CC1OC(=C(C1=O)O)C	0.52	1.0
Compound_180	COCCCNc1nc(NCCCOC)c(c(c1N=Nc1sc(c(c1C#N)C)C(=O)OC)C)C#N	0.02	0.0
Compound_181	S=C1SCCN1C	0.5	0.0
Compound_182	CCCCCCCCN1CCCC1=O	0.82	1.0
Compound_183	CCN1CCCC1=O	0.61	1.0
Compound_184	CCCCCCCCCCCCN1CCCC1=O	0.89	1.0
Compound_185	CCCCN1CCCC1=O	0.5	0.0
Compound_186	OCCN1CCCC1=O	0.25	0.0
Compound_187	O=C1CCCN1	0.12	0.0
Compound_188	OCC#C	0.9	1.0
Compound_189	CCCCCCCCCCCCCCOC(=O)C=C	0.99	1.0
Compound_190	CCCCCCCCCCCCCCCCCCOC(=O)C=C	0.99	1.0
Compound_191	CCCCCCOC(=O)C=C	0.99	1.0
Compound_192	CCCCCCCCCCCCCCCCOC(=O)C=C	0.99	1.0
Compound_193	CCOC(=O)C=C	0.97	1.0
Compound_194	CCCCCCCCCCCCOC(=O)C=C	0.99	1.0
Compound_195	CCCCCCCCCCCCCCCCCCCCCCOC(=O)C=C	0.99	1.0
Compound_196	CCCCOC(=O)C=C	0.99	1.0
Compound_197	OCCCCOC(=O)C=C	0.81	1.0
Compound_198	COC(=O)C=Cc1ccccc1	0.96	1.0
Compound_199	CCOC(=O)C=Cc1ccccc1	0.99	1.0
Compound_200	C=CC(=O)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.99	1.0
Compound_201	CCCCC(COC(=O)C=Cc1ccc(cc1)OC)CC	0.96	1.0
Compound_202	C=CC(=O)OCCOc1ccccc1	0.99	1.0
Compound_203	C=CC(=O)OCC(C)C	0.97	1.0
Compound_204	CC(CC)COC(=O)C=C	0.99	1.0
Compound_205	CCCCCCCCCCCCCCOC(=O)C(=C)C	0.99	1.0
Compound_206	O=C(C(=C)C)OCc1ccccc1	0.99	1.0
Compound_207	CCCCCCCCCCCCCCCCCCOC(=O)C(=C)C	0.99	1.0
Compound_208	CCCCCCCCCCCCCCCCOC(=O)C(=C)C	0.99	1.0
Compound_209	CCCCCCCCCCCCOC(=O)C(=C)C	0.99	1.0
Compound_210	CCCCCCCCCCCCCCCCCCCCCCOC(=O)C(=C)C	0.99	1.0
Compound_211	O=C(C(=C)C)OC1CCCCC1	0.96	1.0
Compound_212	CC1CC(OC(=O)C(=C)C)CC(C1)(C)C	0.8	1.0
Compound_213	O=C(C(=C)C)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.99	1.0
Compound_214	CO[Si](CCCOC(=O)C(=C)C)(OC)OC	0.74	1.0
Compound_215	O=C(C(=C)C)OCCOc1ccccc1	0.99	1.0
Compound_216	CC(=C)C(=O)OCC1CO1	0.92	1.0
Compound_217	CCCCC(COC(=O)C(=C)C)CC	0.99	1.0
Compound_218	CC(=C)C(=O)OCCNC(C)(C)C	0.1	0.0
Compound_219	CC(=C)C(=O)OCC(CO)O	0.79	1.0
Compound_220	CN(CCOC(=O)C(=C)C)C	0.15	0.0
Compound_221	CCN(CCOC(=O)C(=C)C)CC	0.36	0.0
Compound_222	CC(=C)C(=O)OCCN1COCC1	0.59	1.0
Compound_223	CCCCOCCOCCOC(=O)C(=C)C	0.96	1.0
Compound_224	CC(=C)C(=O)OC(C)(C)C	0.63	1.0
Compound_225	O=C(C(=C)C)OC(=O)C(=C)C	0.86	1.0
Compound_226	CCC(COC(=O)C(=C)C)(COC(=O)C(=C)C)COC(=O)C(=C)C	0.66	1.0
Compound_227	O=C(C(=C)C)OCCOCCOCCOC(=O)C(=C)C	0.84	1.0
Compound_228	O=C(C(=C)C)OCC1CC2CC1C1C2C(CC1)COC(=O)C(=C)C	0.93	1.0
Compound_229	CC(OC(=O)C(=C)C)CCOC(=O)C(=C)C	0.48	0.0
Compound_230	O=C(C(=C)C)OCCCCCCOC(=O)C(=C)C	0.82	1.0
Compound_231	O=C(C(=C)C)OCCCCOC(=O)C(=C)C	0.78	1.0
Compound_232	O=C(C(=C)C)OCCCCCCCCCCOC(=O)C(=C)C	0.94	1.0
Compound_233	CC(=C)C(=O)OCC1CCCO1	0.95	1.0
Compound_234	CC(=C)C(=O)O[C@H]1C[C@H]2C([C@]1(C)CC2)(C)C	0.83	1.0
Compound_235	CC(=C)C(=O)O	0.67	1.0
Compound_236	COCCOC(=O)C=C	0.99	1.0
Compound_237	C=CC(=O)OCC(COc1ccccc1)O	0.9	1.0
Compound_238	CCCCC(COC(=O)C=C)CC	1.0	1.0
Compound_239	CCCCC(COC(=O)C(=C(c1ccccc1)c1ccccc1)C#N)CC	0.97	1.0
Compound_240	CCOC(=O)C(=C)C#N	0.94	1.0
Compound_241	C=CC(=O)OCCN(S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C	0.61	1.0
Compound_242	C=CC(=O)Oc1c(cc(cc1C(CC)(C)C)C(CC)(C)C)C(c1cc(cc(c1O)C(CC)(C)C)C(CC)(C)C)C	0.89	1.0
Compound_243	CCCCCCCCCCCCCCCCCCNC(=O)OCCOC(=O)C=C	0.79	1.0
Compound_244	CCCCNC(=O)OCCOC(=O)C=C	0.65	1.0
Compound_245	C=CC(=O)OCCN(C)C	0.64	1.0
Compound_246	CCOCCOCCOC(=O)C=C	0.98	1.0
Compound_247	C=CC(=O)OC(C)(C)C	0.77	1.0
Compound_248	C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)CC	0.91	1.0
Compound_249	C=CC(=O)OCC(COCCCCOCC(COC(=O)C=C)O)O	0.69	1.0
Compound_250	C=CC(=O)OCC1CC2CC1C1C2C(CC1)COC(=O)C=C	0.93	1.0
Compound_251	C=CC(=O)OCC(OCC(OCC(OC(=O)C=C)C)C)C	0.6	1.0
Compound_252	C=CC(=O)OCCn1c(=O)n(CCOC(=O)C=C)c(=O)n(c1=O)CCOC(=O)C=C	0.03	0.0
Compound_253	C=CC(=O)OCCC(CCOC(=O)C=C)C	0.98	1.0
Compound_254	C=CC(=O)OCCCCCCOC(=O)C=C	0.97	1.0
Compound_255	C=CC(=O)OCCCCOC(=O)C=C	0.93	1.0
Compound_256	C=CC(=O)OCCCCCCCCCCOC(=O)C=C	0.97	1.0
Compound_257	C=CC(=O)OCC1CCCO1	0.96	1.0
Compound_258	CCC1(COC(=O)C=C)COCOC1	0.97	1.0
Compound_259	C=CC(=O)O[C@H]1C[C@H]2C([C@]1(C)CC2)(C)C	0.89	1.0
Compound_260	OC(=O)C=C	0.85	1.0
Compound_261	C=CC#N	0.98	1.0
Compound_262	CN(CCCNC(=O)C(=C)C)C	0.26	0.0
Compound_263	C=CC(=O)NCNC(=O)C=C	0.79	1.0
Compound_264	C=CC(=O)N(C)C	0.78	1.0
Compound_265	CCCCOCNC(=O)C=C	0.95	1.0
Compound_266	C=CC(=O)NC(C)(C)C	0.96	1.0
Compound_267	C=CC(=O)NC(CC(=O)C)(C)C	0.66	1.0
Compound_268	C=CC(=O)NC(CC(C)(C)C)(C)C	0.76	1.0
Compound_269	CC(=C)C(=O)N	0.83	1.0
Compound_270	NC(=O)C=C	0.88	1.0
Compound_271	O=CC(=Cc1ccccc1)C	0.99	1.0
Compound_272	C=CC=O	0.98	1.0
Compound_273	CC(=O)OCC=Cc1ccccc1	0.99	1.0
Compound_274	OCC=Cc1ccccc1	0.82	1.0
Compound_275	OCC=C	0.99	1.0
Compound_276	C=CCNCC=C	0.57	1.0
Compound_277	CC(=O)C	0.99	1.0
Compound_278	CC(O)(C)C	0.87	1.0
Compound_279	CCCOCC(O)C	0.98	1.0
Compound_280	CC(COc1ccccc1)O	0.97	1.0
Compound_281	COCC(OC(=O)C)C	0.8	1.0
Compound_282	COCC(O)C	0.97	1.0
Compound_283	CCOCC(O)C	0.96	1.0
Compound_284	ClCC(OP(=O)(OC(CCl)C)OC(CCl)C)C	0.98	1.0
Compound_285	CCCCOCC(O)C	0.98	1.0
Compound_286	CC(CN)O	0.08	0.0
Compound_287	CC(CN(CCCN(C)C)CCCN(C)C)O	0.24	0.0
Compound_288	OCCN(CC(O)C)CCO	0.57	1.0
Compound_289	ClCC(OP(=O)(OC(CCl)CCl)OC(CCl)CCl)CCl	0.99	1.0
Compound_290	CC(CNCC(O)C)O	0.23	0.0
Compound_291	CN(CCCN(CC(O)C)CC(O)C)C	0.11	0.0
Compound_292	CC(CN(c1ccc(cc1)C)CC(O)C)O	0.33	0.0
Compound_293	CC(COc1ccc(cc1)C(c1ccc(cc1)OCC(O)C)(C)C)O	0.75	1.0
Compound_294	CC(CN(CC(O)C)CC(O)C)O	0.06	0.0
Compound_295	CC(CN(CC(O)C)CCN(CC(O)C)CC(O)C)O	0.09	0.0
Compound_296	CN(CC(O)C)C	0.12	0.0
Compound_297	CCCCOCC(OCC(O)C)C	0.9	1.0
Compound_298	CCCOCC(OCC(O)C)C	0.87	1.0
Compound_299	CC(O)C	0.15	0.0
Compound_300	CC(S)(C)C	0.99	1.0
Compound_301	CC(S)C	0.95	1.0
Compound_302	ONC(C)C	0.78	1.0
Compound_303	CCN(C(C)C)C(C)C	0.08	0.0
Compound_304	CC(NC(C)C)C	0.47	0.0
Compound_305	CC(CC(=O)C)C	0.9	1.0
Compound_306	CC(=O)CC(O)(C)C	0.73	1.0
Compound_307	CC(CC(O)C)C	0.57	1.0
Compound_308	CC(CC(N)(C)C)(C)C	0.38	0.0
Compound_309	C1OC1COc1ccc(cc1)N(CC1CO1)CC1CO1	0.55	1.0
Compound_310	c1cc(OCC2CO2)cc(c1)N(CC1CO1)CC1CO1	0.47	0.0
Compound_311	O1CC1CN(c1ccc(cc1)Cc1ccc(cc1)N(CC1OC1)CC1OC1)CC1OC1	0.19	0.0
Compound_312	CCOC(=O)C1OC1(C)c1ccccc1	0.76	1.0
Compound_313	CC12CCC(CC1)C(O2)(C)C	0.51	1.0
Compound_314	CCC(CCCC(O)(C)C)C	0.55	1.0
Compound_315	Cc1ccc(c(c1)N(=O)=O)N=Nc1c(O)ccc2c1cccc2	0.93	1.0
Compound_316	Clc1cc(ccc1N=Nc1c(O)ccc2c1cccc2)N(=O)=O	0.99	1.0
Compound_317	O=N(=O)c1cc(ccc1N=Nc1c(O)ccc2c1cccc2)N(=O)=O	0.89	1.0
Compound_318	OS(=O)(=O)c1ccc2c(c1)cccc2	0.94	1.0
Compound_319	Oc1ccc2c(c1)ccc(c2)C(=O)O	0.99	1.0
Compound_320	Clc1ccc(c(c1)N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1ccc(cc1)NC(=O)c1cc2ccccc2c(c1O)N=Nc1cc(Cl)ccc1Cl)Cl	0.31	0.0
Compound_321	Clc1ccc(c(c1)N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1ccc(c(c1)Cl)NC(=O)c1cc2ccccc2c(c1O)N=Nc1cc(Cl)ccc1Cl)Cl	0.31	0.0
Compound_322	Clc1ccc(c(c1)N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1cc(Cl)c(cc1Cl)NC(=O)c1cc2ccccc2c(c1O)N=Nc1cc(Cl)ccc1Cl)Cl	0.31	0.0
Compound_323	COc1ccc(cc1N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1cc(Cl)ccc1OC)C(=O)Nc1ccccc1	0.45	0.0
Compound_324	COc1ccc(cc1N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1cc(OC)c(cc1OC)Cl)C(=O)Nc1ccccc1	0.52	1.0
Compound_325	COc1cc(c(cc1N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1ccc2c(c1)[nH]c(=O)[nH]2)C)S(=O)(=O)NC	0.43	0.0
Compound_326	CCOc1ccccc1NC(=O)c1cc2ccccc2c(c1O)N=Nc1ccc(cc1)C(=O)N	0.05	0.0
Compound_327	COc1ccccc1NC(=O)c1cc2ccccc2c(c1O)N=Nc1ccc(cc1)C(=O)N	0.07	0.0
Compound_328	Clc1ccc(c(c1)N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1ccccc1)Cl	0.41	0.0
Compound_329	O=C(c1cc2ccccc2c(c1O)N=Nc1cc(Cl)c(cc1Cl)Cl)Nc1ccccc1C	0.23	0.0
Compound_330	O=C(c1cc2ccccc2c(c1O)N=Nc1cc(ccc1C)N(=O)=O)Nc1ccccc1	0.61	1.0
Compound_331	COc1ccc(cc1N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1cccc(c1)N(=O)=O)N(=O)=O	0.43	0.0
Compound_332	OCN1C(O)C(N(C1=O)CO)O	0.03	0.0
Compound_333	CN1CCN(C1=O)C	0.11	0.0
Compound_334	OCCN1CCNC1=O	0.1	0.0
Compound_335	O=C1NCCN1	0.22	0.0
Compound_336	CC(CC1OCCC(C1)(C)O)C	0.64	1.0
Compound_337	CCCCCC1CCCC(=O)O1	0.96	1.0
Compound_338	O=C1CCCCO1	0.94	1.0
Compound_339	CCCCCCCC1CCCC(=O)O1	0.97	1.0
Compound_340	CC1=CC(=O)C(C(=O)O1)C(=O)C	0.57	1.0
Compound_341	CC1CCOC(C1)C=C(C)C	0.2	0.0
Compound_342	COC(C(CC=C(C)C)(C)C)OC	0.7	1.0
Compound_343	CCCCCC(=O)C	0.93	1.0
Compound_344	CC(CCCC(O)(C)C)C	0.37	0.0
Compound_345	S=c1[nH]c2c([nH]1)cccc2	0.44	0.0
Compound_346	O=C1CCCCCN1	0.06	0.0
Compound_347	C=CN1CCCCCC1=O	0.07	0.0
Compound_348	O=C1CCCCCN1SSN1CCCCCC1=O	0.09	0.0
Compound_349	O=C1CCC2C(O1)CCCC2	0.97	1.0
Compound_350	O=C1CCc2c(O1)cccc2	0.96	1.0
Compound_351	O=C1COc2c(OC1)ccc(c2)C	0.93	1.0
Compound_352	CC1=CC(=O)CC(C1)(C)C	0.42	0.0
Compound_353	OCC#CCO	0.9	1.0
Compound_354	CC(=O)OCC=C(C)C	0.56	1.0
Compound_355	CCC(=CCC1CC=C(C1(C)C)C)CO	0.13	0.0
Compound_356	CCC(OOC(OO)(CC)C)(OO)C	0.62	1.0
Compound_357	CC(=O)CCc1ccccc1	0.83	1.0
Compound_358	CC(=O)CCc1ccc(cc1)O	0.99	1.0
Compound_359	CC(=O)C(C)(C)C	0.97	1.0
Compound_360	CCC(=NO[Si](c1ccccc1)(ON=C(CC)C)ON=C(CC)C)C	0.72	1.0
Compound_361	CCC(=NO[Si](ON=C(CC)C)(ON=C(CC)C)C)C	0.79	1.0
Compound_362	CCC(=NO[Si](ON=C(CC)C)(ON=C(CC)C)C=C)C	0.65	1.0
Compound_363	CCC(=NO[Si](ON=C(CC)C)(ON=C(CC)C)ON=C(CC)C)C	0.78	1.0
Compound_364	CCC(=O)C	0.99	1.0
Compound_365	CCC(O)C	0.95	1.0
Compound_366	C1CCC(CC1)N(C1CCCCC1)Sc1nc2c(s1)cccc2	0.75	1.0
Compound_367	O=CC=C(CCC=C(C)C)C	0.12	0.0
Compound_368	N#CC=C(CCC=C(CC)C)C	0.54	1.0
Compound_369	OC(=O)c1ccc2c(c1)ccc(c2)C(=O)O	0.55	1.0
Compound_370	CCCCCCCCCCCCC1CC(=O)N(C1=O)C1CC(C)(C)NC(C1)(C)C	0.15	0.0
Compound_371	CCCCCCCCCCCCCCCC=CCC1CC(=O)OC1=O	0.81	1.0
Compound_372	O=C1CCC(=O)O1	0.85	1.0
Compound_373	O=C1C=CC(=O)O1	0.85	1.0
Compound_374	CC(C1=CC(=Cc2ccccc2)C=C(C1=O)C(C)(C)C)(C)C	0.98	1.0
Compound_375	COCCOCCOCCOC	0.92	1.0
Compound_376	COCCOCCOCCOCCOC	0.92	1.0
Compound_377	C=CCOC(=O)OCCOCCOC(=O)OCC=C	0.96	1.0
Compound_378	COCCO[Si](OCCOC)(OCCOC)C=C	0.83	1.0
Compound_379	CC(=O)CC(=O)C	0.82	1.0
Compound_380	CC(CC(O)(C)C)O	0.73	1.0
Compound_381	O=C1NC(=O)C(N1)(C)C	0.15	0.0
Compound_382	ClN1C(=O)N(C(C1=O)(C)C)Cl	0.81	1.0
Compound_383	OCN1C(=O)N(C(C1=O)(C)C)CO	0.25	0.0
Compound_384	OCCN1C(=O)N(C(C1=O)(C)C)CCO	0.04	0.0
Compound_385	C1=CCC(CC1)C1OCC2(CO1)COC(OC2)C1CCC=CC1	0.69	1.0
Compound_386	CC(c1cc(ccc1OP1OCC2(CO1)COP(OC2)Oc1ccc(cc1C(c1ccccc1)(C)C)C(c1ccccc1)(C)C)C(c1ccccc1)(C)C)(c1ccccc1)C	0.93	1.0
Compound_387	CC(c1cc(ccc1OP1OCC2(CO1)COP(OC2)Oc1ccc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C	0.91	1.0
Compound_388	CCCCCCCCCCCCCCCCCCOP1OCC2(CO1)COP(OC2)OCCCCCCCCCCCCCCCCCC	0.9	1.0
Compound_389	O=C1NC(=O)C(C(=O)N1)N=Nc1cc2[nH]c(=O)[nH]c2cc1C	0.03	0.0
Compound_390	O=C1NC(=O)C(=c2[nH]c(=C3C(=O)NC(=O)NC3=O)c3c2cccc3)C(=O)N1	0.06	0.0
Compound_391	Nc1cc(=O)n(c(=O)n1C)C	0.07	0.0
Compound_392	c1ccc(nc1)c1ccccn1	0.99	1.0
Compound_393	CCCCCC1CCC(=O)O1	0.86	1.0
Compound_394	CCCCCCC1CCC(=O)O1	0.88	1.0
Compound_395	CCCCCCCC1CCC(=O)O1	0.88	1.0
Compound_396	CCCCC1CCC(=O)O1	0.92	1.0
Compound_397	Sc1nc2c(s1)cccc2	0.98	1.0
Compound_398	Clc1cc(Cl)c(nc1O)Cl	0.99	1.0
Compound_399	CCCCCCCCCCCO	0.97	1.0
Compound_400	CCCCCCCCCCCCC=C	0.97	1.0
Compound_401	CCCCCCCCCCCCCCO	0.97	1.0
Compound_402	CCCCCCCCCCCCCCN(=O)(C)C	0.77	1.0
Compound_403	CCCCCCCCCCCCCCN(C)C	0.87	1.0
Compound_404	C=CCN=C=S	0.51	1.0
Compound_405	CC(=C)CCl	0.93	1.0
Compound_406	ClCC=C	0.96	1.0
Compound_407	CC(=C)C	0.84	1.0
Compound_408	CSc1ccc(cc1)C(=O)C(N1CCOCC1)(C)C	0.9	1.0
Compound_409	O=C(C(O)(C)C)c1ccccc1	0.97	1.0
Compound_410	OCC(COC1CC2C(C1(C)CC2)(C)C)C	0.19	0.0
Compound_411	OCC(C)C	0.9	1.0
Compound_412	OCC(N)(C)C	0.13	0.0
Compound_413	CCC(=O)OCC(OC(C1CCCC(C1)(C)C)C)(C)C	0.93	1.0
Compound_414	OCC(CCl)Cl	0.85	1.0
Compound_415	CCCO	0.99	1.0
Compound_416	SCCC[Si](OCC)(OCC)OCC	0.98	1.0
Compound_417	CCCS	0.97	1.0
Compound_418	C=CC(=O)NC(CS(=O)(=O)O)(C)C	0.17	0.0
Compound_419	CCCCCCCCCCCC(=O)NCCC[N+](CC(CS(=O)(=O)[O-])O)(C)C	0.12	0.0
Compound_420	CCCNCCC	0.95	1.0
Compound_421	CCCN(CCC)CCC	0.4	0.0
Compound_422	COCCCN	0.84	1.0
Compound_423	CCCCOCCCN	0.91	1.0
Compound_424	NCCCOCCOCCOCCCN	0.24	0.0
Compound_425	NCCC[Si](OC)(OC)OC	0.2	0.0
Compound_426	NCCC[Si](OCC)(OCC)C	0.36	0.0
Compound_427	CCCN	0.58	1.0
Compound_428	OCCN1CCNCC1	0.18	0.0
Compound_429	OCCN1CCN(CC1)CCS(=O)(=O)O	0.06	0.0
Compound_430	NCCN1CCNCC1	0.05	0.0
Compound_431	CCCCCO	0.97	1.0
Compound_432	C=CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.98	1.0
Compound_433	CCCCCCC=C	0.91	1.0
Compound_434	OCCC(CCCC(C)C)C	0.91	1.0
Compound_435	OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.99	1.0
Compound_436	CCCCCCC(CCCC)CO	0.97	1.0
Compound_437	CCCCCCCCO	0.97	1.0
Compound_438	CCCCCCCCS	0.98	1.0
Compound_439	OS(=O)(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.65	1.0
Compound_440	CCCCCCCCN(=O)(C)C	0.72	1.0
Compound_441	CCCCCCCCN(C)C	0.79	1.0
Compound_442	CCCCCCCCN	0.81	1.0
Compound_443	CCCCCCCCCCCCCCCCC=C	0.97	1.0
Compound_444	CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CO	0.97	1.0
Compound_445	CCCCCCCCCCCCCCCCCCO	0.98	1.0
Compound_446	CCCCCCCCCCCCCCCCCCN(C)C	0.87	1.0
Compound_447	CCCCCCCCCCCCCCCCCCN	0.8	1.0
Compound_448	CCCCCCCCCCCCCCCCCCCCCCCCCCC=C	0.97	1.0
Compound_449	CCCCCCCCCO	0.97	1.0
Compound_450	C=C[C@@](CC[C@H]1[C@](C)(O)CC[C@@H]2[C@]1(C)CCCC2(C)C)(O)C	0.45	0.0
Compound_451	O=C1C=C(C(=O)N1Cc1cccc(c1)CN1C(=O)C=C(C1=O)C)C	0.09	0.0
Compound_452	O=C1C=CC(=O)N1c1ccc(cc1)Cc1ccc(cc1)N1C(=O)C=CC1=O	0.04	0.0
Compound_453	O=C1C=CC(=O)N1c1ccc(c(c1)N1C(=O)C=CC1=O)C	0.06	0.0
Compound_454	O=C1C=CC(=O)N1c1cccc(c1)N1C(=O)C=CC1=O	0.02	0.0
Compound_455	CCOC(=O)C1=NN(C(=O)C1N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC1C(=NN(C1=O)c1ccccc1)C(=O)OCC)c1ccccc1	0.12	0.0
Compound_456	Cc1[nH]nc(c1)C	0.85	1.0
Compound_457	Cn1cnc2c1c(=O)n(C)c(=O)n2C	0.0	0.0
Compound_458	COCCOCCCn1c(=O)c2c(c1=O)c(N)c1c(c2N)c(=O)c2c(c1=O)cccc2	0.01	0.0
Compound_459	COCCCn1c(=O)c2c(c1=O)c(N)c1c(c2N)c(=O)c2c(c1=O)cccc2	0.02	0.0
Compound_460	CN1C(=O)c2c(C1=O)cc(cc2)Oc1ccc(cc1)C(c1ccc(cc1)Oc1ccc2c(c1)C(=O)N(C2=O)C)(C)C	0.94	1.0
Compound_461	O=C1C(c2ccc3c(n2)c(ccc3)N2C(=O)c3c(C2=O)c(Cl)c(c(c3Cl)Cl)Cl)C(=O)c2c1c(Cl)c(c(c2Cl)Cl)Cl	0.61	1.0
Compound_462	CN1C(=O)c2c(C1=O)cc(cc2)N(=O)=O	0.31	0.0
Compound_463	CN1C(=O)c2c(C1=O)cccc2	0.27	0.0
Compound_464	O=C1N(CCN2C(=O)c3c(C2=O)c(Br)c(c(c3Br)Br)Br)C(=O)c2c1c(Br)c(c(c2Br)Br)Br	0.12	0.0
Compound_465	O=C1N(SC2CCCCC2)C(=O)c2c1cccc2	0.15	0.0
Compound_466	NCCCn1cncc1	0.19	0.0
Compound_467	Cc1ncc[nH]1	0.14	0.0
Compound_468	Cn1cncc1	0.34	0.0
Compound_469	C=Cn1cncc1	0.2	0.0
Compound_470	Cn1ccnc1C	0.09	0.0
Compound_471	c1ncc[nH]1	0.67	1.0
Compound_472	CCCCC=C	0.94	1.0
Compound_473	CC(CC(C)(C)C)CCOC(=O)C	0.75	1.0
Compound_474	OCCC(CC(C)(C)C)C	0.57	1.0
Compound_475	CCCCC(CO)CC	0.97	1.0
Compound_476	CCCCCCO	0.97	1.0
Compound_477	CCCCC(CN(CC(CCCC)CC)CC(CCCC)CC)CC	0.74	1.0
Compound_478	CCCCC(CNCC(CCCC)CC)CC	0.88	1.0
Compound_479	CCCCC(CN)CC	0.78	1.0
Compound_480	CCCCCCCCCCCCCCC=C	0.97	1.0
Compound_481	CCCCCCCCCCCCCCC(CCCCCCCCCCCC)CO	0.97	1.0
Compound_482	CCCCCCCCCCCCCCCCO	0.98	1.0
Compound_483	CCCCCCCCCCCCCCCCN(C)C	0.87	1.0
Compound_484	CCCCCCCCCCCCCCCCCCCCCCCCC=C	0.97	1.0
Compound_485	CCCCCC(CCC)CO	0.97	1.0
Compound_486	CCCCCCCO	0.96	1.0
Compound_487	O=C(N1CCCCCC1=O)NCCCCCCNC(=O)N1CCCCCC1=O	0.01	0.0
Compound_488	O=C1CCCCCN1C(=O)Nc1ccc(cc1)Cc1ccc(cc1)NC(=O)N1CCCCCC1=O	0.01	0.0
Compound_489	C1CCCCNC1	0.33	0.0
Compound_490	CO[C@]1(C)CC[C@@]23C[C@@H]1C(C)(C)[C@@H]2CC[C@H]3C	0.61	1.0
Compound_491	c1ncn[nH]1	0.83	1.0
Compound_492	O=C1OC(=O)c2c3c1cccc3ccc2	0.95	1.0
Compound_493	CCC12COCN2COC1	0.6	1.0
Compound_494	CCCCCCCCCCCCCCCCCCC=C	0.97	1.0
Compound_495	CCCCCCCCCCCCCCCCCCCCO	0.98	1.0
Compound_496	CCCCCCCCCCC(CCCCCCCC)CO	0.97	1.0
Compound_497	CCCCCCCCCCCCO	0.97	1.0
Compound_498	CCCCCCCCCCCCS	0.98	1.0
Compound_499	CCCCCCCCCCCCN(=O)(C)C	0.72	1.0
Compound_500	CCCCCCCCCCCCN(C)C	0.79	1.0
Compound_501	CCCCCCCCCCCCN	0.8	1.0
Compound_502	CCCCCCCCCCCCCCCCCCCCCCO	0.98	1.0
Compound_503	CCCCCCCCC(CCCCCC)CO	0.97	1.0
Compound_504	CCCCCCCCCCO	0.97	1.0
Compound_505	CCCCCCCCCCN(=O)(C)C	0.72	1.0
Compound_506	CCCCCCCCCCN(C)C	0.79	1.0
Compound_507	CCCCCC1=C(CCC1=O)CC(=O)OC	0.37	0.0
Compound_508	CCO[Si](CN1CCOCC1)(OCC)OCC	0.77	1.0
Compound_509	CNCCC[Si](OC)(OC)OC	0.22	0.0
Compound_510	CC(=C)C(=O)O[Si](C(C)C)(C(C)C)C(C)C	0.67	1.0
Compound_511	C=CC(=O)O[Si](C(C)C)(C(C)C)C(C)C	0.87	1.0
Compound_512	CC(C[Si](Cl)(Cl)Cl)CC(C)(C)C	0.99	1.0
Compound_513	C=CCNC(=O)c1c(C)c(sc1[Si](C)(C)C)C	0.83	1.0
Compound_514	CCO[Si](OCC)(OCC)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	1.0	1.0
Compound_515	Cl[Si](CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(Cl)Cl	1.0	1.0
Compound_516	O=C1c2cccc(c2C=CC1=N#N)S(=O)(=O)Cl	0.94	1.0
Compound_517	CCN(C(=O)c1cc(c(cc1N(CCN(C)C)CC)N1CCC(CC1)c1ccccc1)S(=O)(=O)Cc1ccccc1)CC	0.05	0.0
Compound_518	COc1cc(c(c(c1)c1cc(OC)cc(c1OP1Oc2ccccc2c2c(O1)cccc2)C(C)(C)C)OP1Oc2ccccc2c2c(O1)cccc2)C(C)(C)C	0.95	1.0
Compound_519	CCc1cc(cc2c1OCO2)C1=C(C(=O)O)N(S(=O)(=O)c2c1cccc2)c1ccccc1C(F)(F)F	0.12	0.0
Compound_520	O=N(=O)NC1=NCOCN1C	0.77	1.0
Compound_521	COc1cnc(s1)C	0.87	1.0
Compound_522	CP1(=O)OCC2(CO1)COP(=O)(OC2)C	0.85	1.0
Compound_523	Cc1cc[nH]n1	0.83	1.0
Compound_524	c1ccc[nH]1	0.99	1.0
Compound_525	Cc1ncc2c(n1)CSC2	0.06	0.0
Compound_526	CC(n1[nH]c(=O)nc1Cl)C	0.18	0.0
Compound_527	CC1SSC(S1)C	0.86	1.0
Compound_528	Cc1c[nH]nc1	0.79	1.0
Compound_529	CC1SCCSS1	0.79	1.0
Compound_530	COc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(F)(F)F)nc(n1)C(F)(F)F	0.2	0.0
Compound_531	CCC(Nc1cc(C)nc(c1C)Oc1c(C)cc(cc1C)C)CC	0.55	1.0
Compound_532	N=C1N[C@@H]2[C@]3(N1)N(CCC3(O)O)C(=N)N[C@H]2COC(=O)N	0.0	0.0
Compound_533	CC1(C)COP(=S)(OC1)OP1(=S)OCC(CO1)(C)C	0.94	1.0
Compound_534	CC(CC1OCCC(C1)C)C	0.63	1.0
Compound_535	c1coc(c1)c1nc2c([nH]1)cccc2	0.55	1.0
Compound_536	CC(=O)Nc1ccc2c(c1)cc(c(c2O)N=Nc1ccc(cc1)S(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O	0.78	1.0
Compound_537	CCOC(=O)CSc1nc(nn1C(=O)N(C)C)C(C)(C)C	0.29	0.0
Compound_538	CC(CC(=O)O[C@H]1C[C@@]2(COC(=O)C)[C@@H](C=C1C)O[C@H]1[C@]3([C@]2(C)[C@H](OC(=O)C)[C@H]1O)CO3)C	0.47	0.0
Compound_539	Clc1ccc2c(c1)N(=O)=NC(=N2)n1cncc1	0.65	1.0
Compound_540	CC1OCCC21SC1C(S2)(C)OCC1	0.86	1.0
Compound_541	CCCn1c(OCCC)nc2c(c1=O)cc(cc2)I	0.04	0.0
Compound_542	CN(CCOCCOC(=O)NCC1(C)CC(NC(=O)OCCOCCN(C)C)CC(C1)(C)C)C	0.02	0.0
Compound_543	SC1CC2CC(C1C)C2(C)C	0.78	1.0
Compound_544	CC[C@@H]1C[C@H](N(C(=O)C)Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2c(N1C(=O)OC(C)C)ccc(c2)C(F)(F)F	0.4	0.0
Compound_545	O=S1CCON=C1c1cc2c(s1)cccc2	0.45	0.0
Compound_546	Clc1cc(Cl)cc(c1)C1(CO1)CC(Cl)(Cl)Cl	0.84	1.0
Compound_547	Cl[C@H]1[C@@]2(Cl)[C@H]3C4C5C1(Cl)C([C@]2(Cl)C5[C@@H]3[C@@H]1[C@H]4O1)(Cl)Cl	0.96	1.0
Compound_548	NCc1cccc(c1)C1CCN(CC1)C(=O)c1ccc(o1)C#Cc1ccccc1F	0.05	0.0
Compound_549	CC(=O)S[C@H](C(=O)N[C@H]1Cc2ccccc2[C@@H]2N(C1=O)[C@@H](CCC2)C(=O)O)C(C)C	0.05	0.0
Compound_550	CC1C(C)(C)C2=C(C1(C)C)CCC1C2OCOC1	0.31	0.0
Compound_551	CC(c1c(N=C=O)c(cc(c1N=C=O)C(C)C)C(C)C)C	0.69	1.0
Compound_552	CNCc1ccc(cc1)NC(=O)c1c[nH]c2c1C(=O)CCC2	0.07	0.0
Compound_553	OCCn1nc(c(c1CC)Oc1cc(C#N)cc(c1)C#N)CC	0.07	0.0
Compound_554	CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1C#N)CCCC2	0.01	0.0
Compound_555	OC[C@@]12[C@@H](C=C(C(=O)[C@H]1O)C)O[C@H]1[C@]3([C@]2(C)C[C@H]1O)CO3	0.85	1.0
Compound_556	OC[C@@]12[C@@H](C=C(C(=O)[C@H]1O)C)O[C@H]1[C@@]3([C@]2(C)[C@H](O)[C@H]1O)OC3	0.55	1.0
Compound_557	OCC(n1cnc(c1c1ccnc(n1)Oc1ccccc1)c1ccc(cc1)F)CO	0.06	0.0
Compound_558	CC(OC(=O)c1ccc(c(c1)N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1cc(Cl)c(cc1Cl)NC(=O)c1cc2ccccc2c(c1O)N=Nc1cc(ccc1C)C(=O)OC(C)C)C)C	0.46	0.0
Compound_559	ClCCOC(=O)c1ccc(c(c1)N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1cc(C)c(cc1C)NC(=O)c1cc2ccccc2c(c1O)N=Nc1cc(ccc1C)C(=O)OCCCl)C	0.12	0.0
Compound_560	CCCC[C@H]([C@H]([C@@H](OC(=O)C[C@H](C(=O)O)CC(=O)O)C[C@H](CCCCCC[C@H](C[C@@H]([C@@H](N)C)O)O)C)OC(=O)C[C@H](C(=O)O)CC(=O)O)C	0.03	0.0
Compound_561	CC(=O)Oc1ccc(cc1C1C(=O)Oc2c1cc(cc2)C(CC(C)(C)C)(C)C)C(CC(C)(C)C)(C)C	0.88	1.0
Compound_562	CCN(c1ccc(cc1)C(c1ccc(cc1)N(CC)CC)(c1ccc(cc1)N(CC)CC)O)CC	0.91	1.0
Compound_563	OC[C@H]1O[C@@H](O[C@@]23CC[C@@H]4[C@@](C2)(CC3=C)CC[C@H]2[C@@]4(C)CCC[C@@]2(C)C(=O)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.27	0.0
Compound_564	OC[C@H]1O[C@@H](O[C@@]23CC[C@@H]4[C@@](C2)(CC3=C)CC[C@H]2[C@@]4(C)CCC[C@@]2(C)C(=O)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.27	0.0
Compound_565	CC[C@H]([C@H]1O[C@]2(C=C[C@H]([C@@]3(O2)CC[C@@](O3)(C)[C@H]2CC[C@]([C@@H](O2)C)(O)CC)O)[C@@H](C[C@@H]1C)C)C(=O)[C@H]([C@H]([C@@H]([C@@H]1O[C@H]([C@H](C[C@@H]1C)C)[C@H](C(=O)O)CC)C)O)C	0.01	0.0
Compound_566	COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl	0.06	0.0
Compound_567	CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCC	0.8	1.0
Compound_568	CCCCCCCCCOC(=O)c1cc(ccc1C(=O)OCCCCCCCCC)C(=O)OCCCCCCCCC	0.88	1.0
Compound_569	O=Cc1c(O)c(O)c(c2c1c(O)c(c(c2)C)c1c(C)cc2c(c1O)c(C=O)c(c(c2C(C)C)O)O)C(C)C	0.95	1.0
Compound_570	Oc1cc2ccccc2nc1C1=C(O)c2c(C1=O)cccc2	0.94	1.0
Compound_571	Brc1c(c2c(Br)c(Br)c(c(c2Br)Br)Br)c(Br)c(c(c1Br)Br)Br	0.99	1.0
Compound_572	CCCCCCCCCCCCCCCCCC(=O)NCCCN(CCCNC(=O)CCCCCCCCCCCCCCCCC)C	0.32	0.0
Compound_573	CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O	0.89	1.0
Compound_574	CC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C2=CC(=O)[C@H]3[C@@H]([C@]12C)C3)Cl)C(=O)C	0.94	1.0
Compound_575	COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n(C)ncc1c1nnn(n1)C	0.63	1.0
Compound_576	O=N(=O)OCCOCCON(=O)=O	0.86	1.0
Compound_577	CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC)COC(=O)CCCCCCCC	0.08	0.0
Compound_578	CC(=O)OCC=C	0.99	1.0
Compound_579	CCc1c(nn(c1c1ccc(cc1)Br)c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1	0.04	0.0
Compound_580	CCCCCCCCCCCCCCCC(=O)O[C@@H]1C[C@H](N(C1)C(=O)CCCCCCCCCCCCCCC)C(=O)O	0.05	0.0
Compound_581	BrC#N	0.93	1.0
Compound_582	CN(P(=O)(N(C)C)OP(=O)(N(C)C)N(C)C)C	0.76	1.0
Compound_583	CC(C#N)O	0.92	1.0
Compound_584	ClC#N	0.98	1.0
Compound_585	S1CCSCC1	0.73	1.0
Compound_586	COCCC(=O)N(C)C	0.68	1.0
Compound_587	OC(=O)CBr	0.83	1.0
Compound_588	COc1cnccn1	0.79	1.0
Compound_589	CSc1cnccn1	0.85	1.0
Compound_590	CCSC(=O)C	0.96	1.0
Compound_591	S=C=NCCN=C=S	0.18	0.0
Compound_592	NNC(=S)N	0.81	1.0
Compound_593	CCP(=O)(OCC)OCC	0.99	1.0
Compound_594	COCO	0.99	1.0
Compound_595	CCC(=O)C(=O)CC	0.65	1.0
Compound_596	CCCP(=O)(OC)OC	0.99	1.0
Compound_597	O=C(CC(=O)O)CC(=O)O	0.19	0.0
Compound_598	CC(=O)c1nccs1	0.86	1.0
Compound_599	SCCSCCS	0.95	1.0
Compound_600	BrN1C(=O)CCC1=O	0.53	1.0
Compound_601	CCCC=NO	0.55	1.0
Compound_602	O1CC=CC1	0.83	1.0
Compound_603	SCCC(=O)OCCn1c(=O)n(CCOC(=O)CCS)c(=O)n(c1=O)CCOC(=O)CCS	0.01	0.0
Compound_604	CC(OP(=O)(O)C)C	0.75	1.0
Compound_605	OCCOCCCl	0.98	1.0
Compound_606	CC(=O)c1cnccn1	0.66	1.0
Compound_607	FC(C(=O)O)F	0.93	1.0
Compound_608	CC(CCl)O	0.89	1.0
Compound_609	N#CCCC#N	0.96	1.0
Compound_610	CC(OP(=O)(OC(C)C)C)C	0.97	1.0
Compound_611	COCc1cnccn1	0.4	0.0
Compound_612	CCCOc1ccc(cc1c1[nH]c(=O)c2c(n1)c(CC)n(n2)Cc1ccccn1)S(=O)(=O)N1CCN(CC1)CC	0.06	0.0
Compound_613	CC(=O)Oc1cccc(c1)OC(=O)C	0.74	1.0
Compound_614	CC1=CC1	0.83	1.0
Compound_615	O=CC=C(C)C	0.87	1.0
Compound_616	CC(C(=O)O)S	0.36	0.0
Compound_617	C=CCCCCCCC(=O)C	0.98	1.0
Compound_618	CCCOc1nn(c(=O)n1C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	0.22	0.0
Compound_619	CCOc1nc(F)cc2n1nc(n2)S(=O)(=O)Nc1c(Cl)cccc1Cl	0.5	0.0
Compound_620	CCOC(=O)c1nn(c2c1CCN(C2=O)c1ccc(cc1)N1CCCCC1=O)c1ccc(cc1)OC	0.05	0.0
Compound_621	CC(NC(=O)C(=C)C)C	0.87	1.0
Compound_622	ClC(C#N)Cl	0.96	1.0
Compound_623	O=C(OC(C)(C)C)OC(=O)OC(C)(C)C	0.69	1.0
Compound_624	C=CCSSSCC=C	0.06	0.0
Compound_625	OCC(C=O)(CO)C	0.37	0.0
Compound_626	O=C(c1ncc2c(c1)cco2)N[C@H]1CN2CCC1CC2	0.01	0.0
Compound_627	COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)N(S(=O)(=O)C)C	0.27	0.0
Compound_628	C=CCCCCCCCC(=O)OC	0.97	1.0
Compound_629	CC(=O)c1ccc[nH]1	0.87	1.0
Compound_630	CSC(C=NO)(C)C	0.83	1.0
Compound_631	COP(=O)(C(C(Cl)(Cl)Cl)O)OC	0.88	1.0
Compound_632	CC1(O)SCC(SC1)(C)O	0.4	0.0
Compound_633	BrCC(Br)C	0.97	1.0
Compound_634	CC(=C)CCC(=O)C	0.54	1.0
Compound_635	O=C1OCCN1N	0.06	0.0
Compound_636	ClC(C(Cl)C)Cl	0.97	1.0
Compound_637	COc1cc(OC)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C	0.88	1.0
Compound_638	O=C1CCOC1C	0.81	1.0
Compound_639	SCCC(=O)OCCOC(=O)CCS	0.8	1.0
Compound_640	CC(=CC(=O)O)C	0.36	0.0
Compound_641	C=CCCCCC(=O)O	0.43	0.0
Compound_642	C=CCCCCCCCC(=O)O	0.44	0.0
Compound_643	C#CC1CC1	0.94	1.0
Compound_644	O=N(=O)c1cc(N)c(c(c1)N(=O)=O)C	0.91	1.0
Compound_645	COC1CCCC1	0.95	1.0
Compound_646	CNC(=S)NN	0.7	1.0
Compound_647	OC(=O)CCC(C(=O)O)C	0.09	0.0
Compound_648	O=C1CC=C(O1)C	0.87	1.0
Compound_649	OCC=C(C)C	0.5	0.0
Compound_650	Cc1nc(c(s1)C(=O)C)C	0.71	1.0
Compound_651	CCN(C(=O)C(=C(OP(=O)(OC)OC)C)Cl)CC	0.23	0.0
Compound_652	CC1CCC(=O)O1	0.75	1.0
Compound_653	CCCCNCC	0.89	1.0
Compound_654	O=C[C@@H]([C@H]([C@@H]([C@H](OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C	0.52	1.0
Compound_655	CCCCCCCOCC(CC=O)C	0.94	1.0
Compound_656	COc1ccc(cc1S(=O)(=O)O)N	0.51	1.0
Compound_657	CCCCCCCCC=CC=O	0.97	1.0
Compound_658	ClC(C=C)CCl	0.89	1.0
Compound_659	c1ccn[nH]1	0.86	1.0
Compound_660	ClCCCCC(=O)C	0.96	1.0
Compound_661	CCCCCCCCCCCCCCOC(=O)CCCCCCCC=CCCCCCCCC	0.87	1.0
Compound_662	CCc1nccnc1C	0.53	1.0
Compound_663	COc1ccc(c(c1)N)OC	0.97	1.0
Compound_664	CC(C(=O)OCC)C=C=C	0.95	1.0
Compound_665	CCC(C(=O)C)S	0.95	1.0
Compound_666	Cc1nccc(n1)C(=O)C	0.37	0.0
Compound_667	CCOc1nc(F)cc2n1nc(n2)S(=O)(=O)Nc1c(Cl)cccc1C(=O)OC	0.23	0.0
Compound_668	NCCC(=O)O	0.02	0.0
Compound_669	CCCCCC(=O)N	0.6	1.0
Compound_670	CC(C(S)C)S	0.71	1.0
Compound_671	Sc1ccoc1C	0.81	1.0
Compound_672	Cc1cc(C)[nH]c(=O)n1	0.12	0.0
Compound_673	CC1CCOCC1	0.89	1.0
Compound_674	SCCCCCCCCS	0.98	1.0
Compound_675	OCCNC(CC)C	0.93	1.0
Compound_676	CCCCN(C=O)CCCC	0.86	1.0
Compound_677	CC1=CC(=O)C(O1)C	0.91	1.0
Compound_678	CC(CCOC(=O)C)CCCC(C)C	0.88	1.0
Compound_679	OC1C(O)N(C(=O)N1C)C	0.05	0.0
Compound_680	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	0.84	1.0
Compound_681	CC(=O)c1ccccn1	0.86	1.0
Compound_682	CSCCC=C(CSC)C=O	0.52	1.0
Compound_683	NCCCN(CCO)C	0.44	0.0
Compound_684	SCCc1cnccn1	0.15	0.0
Compound_685	CCCCCCCC(=O)NCC(=O)O	0.11	0.0
Compound_686	Cc1ccc(s1)C=O	0.91	1.0
Compound_687	OCCNc1ccc(cc1N(=O)=O)N	0.14	0.0
Compound_688	COC(=O)c1cc(cc(c1)N(=O)=O)C(=O)O	0.9	1.0
Compound_689	CC1CNC(=O)N1	0.07	0.0
Compound_690	Fc1ccccc1	0.99	1.0
Compound_691	CCCCN(C(=O)SCCC)CC	0.95	1.0
Compound_692	OC(=O)c1cccc(c1)N(=O)=O	0.85	1.0
Compound_693	OCC(CO)N	0.17	0.0
Compound_694	CCCSc1nc(Cl)c(c(n1)Cl)N(=O)=O	0.81	1.0
Compound_695	CC(CC)CCC(=O)O	0.76	1.0
Compound_696	CCNc1nc(NC(C)C)nc(n1)O	0.4	0.0
Compound_697	CCOc1ccccc1	0.99	1.0
Compound_698	CN1CCC(CC1)Cl	0.25	0.0
Compound_699	Cc1cnc(c(n1)C)C	0.95	1.0
Compound_700	CC1=C(C)S(=O)(=O)CCS1(=O)=O	0.59	1.0
Compound_701	CCCCCCCCCCCCOC(=O)CCCCCCCC=CCCCCCCCC	0.87	1.0
Compound_702	CC(CCCCCOC(=O)C)C	0.87	1.0
Compound_703	Cc1cc(=O)[nH]o1	0.07	0.0
Compound_704	COc1cccc(c1)O	0.91	1.0
Compound_705	Cc1ccc(cc1N)S(=O)(=O)O	0.52	1.0
Compound_706	COc1ccc2c(c1)[nH]c(=S)[nH]2	0.52	1.0
Compound_707	Nc1ccc(c(c1)S(=O)(=O)O)c1ccc(cc1S(=O)(=O)O)N	0.98	1.0
Compound_708	CCC(=CCCC(OC(=O)C)(C=C)C)C	0.71	1.0
Compound_709	Oc1cccnc1N	0.44	0.0
Compound_710	C=CCCCCCCCCC(=O)NCC(=O)O	0.03	0.0
Compound_711	CN1CCC(CC1)O	0.04	0.0
Compound_712	CNC(=O)ON=CC(S(=O)(=O)C)(C)C	0.06	0.0
Compound_713	CCc1cnc(cn1)C	0.63	1.0
Compound_714	SC1CCCC1	0.89	1.0
Compound_715	COCc1ccc(cc1)COC	0.97	1.0
Compound_716	Cn1nc(c(c1)C(=O)O)C(F)F	0.11	0.0
Compound_717	CC1CCC(=O)CC1	0.93	1.0
Compound_718	OC(=O)C(C(C(=O)O)CC(=O)O)CC(=O)O	0.14	0.0
Compound_719	OOC(CC(C)(C)C)(C)C	0.8	1.0
Compound_720	FC(C(Cl)(Cl)F)(Cl)Cl	0.86	1.0
Compound_721	CCOP(=S)(Oc1nn(c(n1)Cl)C(C)C)OCC	0.89	1.0
Compound_722	Clc1cccc(n1)C(=O)O	0.81	1.0
Compound_723	CC(=O)Nc1cc(ccc1N=Nc1ccc(cc1Cl)N(=O)=O)N(CCOC(=O)C)CCOC(=O)C	0.58	1.0
Compound_724	CCc1nccnc1CC	0.51	1.0
Compound_725	O=C(n1cncc1)n1cncc1	0.33	0.0
Compound_726	C1CCc2c(C1)nccn2	0.77	1.0
Compound_727	c1ccn(c1)Cc1ccco1	0.42	0.0
Compound_728	CC1CCc2c1nccn2	0.52	1.0
Compound_729	OC(=O)c1ccnc(c1)C(=O)O	0.03	0.0
Compound_730	CCOc1ccccc1C(=O)O	0.7	1.0
Compound_731	CC(=O)SCc1ccco1	0.7	1.0
Compound_732	Cc1nc(C)c(nc1C)C	0.92	1.0
Compound_733	CCc1ccc(s1)C=O	0.96	1.0
Compound_734	Nc1ccc(cc1)C(=O)N	0.91	1.0
Compound_735	O=CCC(CC(C)(C)C)C	0.92	1.0
Compound_736	CCc1ncc(nc1C)C	0.74	1.0
Compound_737	CCC(C1N=C(C(S1)C)C)C	0.57	1.0
Compound_738	CCCCCCC(C(=O)O)CCCC	0.96	1.0
Compound_739	CCCCCCCCC(=O)C	0.96	1.0
Compound_740	COc1cc(Cl)c(cc1N)OC	0.98	1.0
Compound_741	CCCCCCCCN(CCC(=O)O)CCC(=O)O	0.08	0.0
Compound_742	Brc1ccc(cc1)OC(=O)N1CCN2CCC1CC2	0.02	0.0
Compound_743	Fc1ccc(cc1)Br	1.0	1.0
Compound_744	CCCSC(=O)N(CCC)CCC	0.98	1.0
Compound_745	OCc1ccc(o1)C=O	0.85	1.0
Compound_746	COC(=O)Oc1ccc(cc1OC)C	0.76	1.0
Compound_747	CCC1=C(O)C(=O)CC1	0.34	0.0
Compound_748	SCc1ccccn1	0.82	1.0
Compound_749	S=C=Nc1ccccc1	0.94	1.0
Compound_750	COCCc1ccccc1	0.97	1.0
Compound_751	O[C@H]1CN[C@@H](C1)C(=O)O	0.02	0.0
Compound_752	OCCNc1ccccc1N(=O)=O	0.32	0.0
Compound_753	CCSC(=O)N(CC(C)C)CC(C)C	0.97	1.0
Compound_754	Oc1cccc(c1C)O	0.99	1.0
Compound_755	OC1C(=O)OCC1(C)C	0.55	1.0
Compound_756	Brc1cc(Oc2c(Br)c(Br)c(c(c2Br)Br)Br)c(c(c1Br)Br)Br	1.0	1.0
Compound_757	CC(=O)N1CCCCCC1=O	0.08	0.0
Compound_758	OC(=O)COc1c(C)cccc1C	0.84	1.0
Compound_759	O=C(NS(=O)(=O)c1ccc(cc1)C)NN1CCCCCC1	0.03	0.0
Compound_760	COc1ccc(cc1)C(=O)Cl	0.99	1.0
Compound_761	Cc1ccccc1S	0.94	1.0
Compound_762	SC1CCOC1C	0.57	1.0
Compound_763	OC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)N	0.01	0.0
Compound_764	O=C(NS(=O)(=O)c1occ(c1)C(O)(C)C)Nc1c2CCCc2cc2c1CCC2	0.11	0.0
Compound_765	Cc1cccc2c1nccn2	0.92	1.0
Compound_766	OC(=O)COc1ccc(cc1)Cl	0.94	1.0
Compound_767	Brc1cccc(c1)Br	1.0	1.0
Compound_768	CON(C(=O)Nc1ccc(cc1)Br)C	0.97	1.0
Compound_769	CC(SCc1ccco1)C	0.5	0.0
Compound_770	CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C#N)cc(cc2C)c1nc2c(n1C)cccc2	0.22	0.0
Compound_771	CCOP(=S)(Oc1ncn(n1)c1ccccc1)OCC	0.62	1.0
Compound_772	CCC(OC(=O)C)(CCCC(C)C)C	0.77	1.0
Compound_773	CCCCOc1ccccc1	0.97	1.0
Compound_774	Nc1ccc(cc1)F	0.96	1.0
Compound_775	CCCCCCCC(=O)OCCOc1ccccc1	0.98	1.0
Compound_776	Nc1cccc(c1)Cl	0.9	1.0
Compound_777	c1ccc2c(c1)[nH]cn2	0.92	1.0
Compound_778	O=C(c1ccccc1)C(=O)C	0.83	1.0
Compound_779	OCCNc1ccc(c(c1)O)C	0.03	0.0
Compound_780	COc1cc(Cl)c(cc1Cl)OC	0.98	1.0
Compound_781	CC(OC(=O)CCCCCCCCC(=O)OC(C)C)C	0.71	1.0
Compound_782	COc1ccc(cc1)C(OC)OC	0.74	1.0
Compound_783	OCCNc1ccc(cc1N(=O)=O)C	0.45	0.0
Compound_784	Brc1ccc(cc1)Br	1.0	1.0
Compound_785	Cc1cccc(c1)N	0.99	1.0
Compound_786	CCCCCc1cccs1	0.95	1.0
Compound_787	C1Oc2c(O1)cccc2	0.97	1.0
Compound_788	Fc1cccc(c1)Br	1.0	1.0
Compound_789	CCCCOC(=O)CC(C(=O)OCCCC)SP(=S)(OCCC)OCCC	0.91	1.0
Compound_790	NC(=O)Nc1ccc(cc1)C	0.72	1.0
Compound_791	CCCC1CCCC(=O)O1	0.97	1.0
Compound_792	COc1cc(C)cc(c1O)OC	0.46	0.0
Compound_793	O=C=Nc1ccc(c(c1)Cl)C	0.44	0.0
Compound_794	CC1CC(NC(=O)N)NC(=O)N1	0.04	0.0
Compound_795	Cc1cc(C)cc(c1)N	1.0	1.0
Compound_796	CSCC(=NOC(=O)NC)C(C)(C)C	0.22	0.0
Compound_797	Cc1cccc2c1n1cnnc1s2	0.93	1.0
Compound_798	Nc1ccc(c(c1)O)C	0.87	1.0
Compound_799	O=N(=O)c1cc(ccc1C)S(=O)(=O)C	0.88	1.0
Compound_800	CCCCC(COCCCNC(=O)Nc1cccc2c1cccc2NC(=O)NCCCOCC(CCCC)CC)CC	0.2	0.0
Compound_801	O=CC(CCCC(CCC=C(C)C)C)C	0.69	1.0
Compound_802	Nc1cc(Cl)c(cc1S(=O)(=O)N)S(=O)(=O)N	0.01	0.0
Compound_803	Nc1cc(Cl)cc(c1)Cl	0.92	1.0
Compound_804	Cc1cccc(c1S)C	0.95	1.0
Compound_805	CC(c1ccc(o1)C)CC=O	0.89	1.0
Compound_806	OC(=O)c1ccc(cc1)Cl	0.9	1.0
Compound_807	Brc1ccc(c(c1)Br)Br	0.98	1.0
Compound_808	CN(C(=O)Nc1ccc(cc1)Cl)C	0.91	1.0
Compound_809	O=C1[C@@H](N)[C@@H]2N1C(=C(CS2)C)C(=O)O	0.01	0.0
Compound_810	CCCCCc1ccco1	0.84	1.0
Compound_811	CNC(=O)C(C(C)C)(C(C)C)C	0.79	1.0
Compound_812	CC1CN(NC1=O)c1ccccc1	0.09	0.0
Compound_813	OCCNc1ccc(cc1N(=O)=O)N(CCO)CCO	0.12	0.0
Compound_814	CCCCCCCCCCCCCCCCOC(=O)Oc1c(Cl)cc(cc1Cl)C(=O)OCC	0.95	1.0
Compound_815	CCCCCC=CCC(C(=O)O)CC(=O)O	0.14	0.0
Compound_816	SCC(=O)OCC(COC(=O)CS)(COC(=O)CS)COC(=O)CS	0.51	1.0
Compound_817	OC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)O	0.73	1.0
Compound_818	C=Cc1ccc(cc1)C=C	1.0	1.0
Compound_819	O=Cc1ccc(c(c1)O)O	0.99	1.0
Compound_820	CC(=O)Nc1cc(cc(c1O)N)S(=O)(=O)O	0.26	0.0
Compound_821	CCOC(=O)CCC1(C)OCC(O1)C	0.83	1.0
Compound_822	Cc1cncc(n1)SCc1ccco1	0.64	1.0
Compound_823	Cc1cnc(cn1)SCc1ccco1	0.61	1.0
Compound_824	Cc1cc(C)c(c(c1)O)Cl	0.99	1.0
Compound_825	CC1CC=C(C(=O)C1C)C	0.68	1.0
Compound_826	CC(c1nn(c(=O)n1N)C(=O)NC(C)(C)C)C	0.25	0.0
Compound_827	O=c1ccc(c[nH]1)C(F)(F)F	0.46	0.0
Compound_828	O=C=Nc1ccc(c(c1)Cl)Cl	0.32	0.0
Compound_829	NCCCCCCCCCN	0.71	1.0
Compound_830	Brc1cc(Br)c(cc1Oc1c(Br)c(Br)c(c(c1Br)Br)Br)Br	1.0	1.0
Compound_831	Cc1ccc(c(c1)O)C(=O)O	0.24	0.0
Compound_832	CCOC(=O)COc1ccc(cc1C)Cl	0.86	1.0
Compound_833	CCCCCCCOC(=O)CCC(=O)OCCCCCCC	0.8	1.0
Compound_834	NCCCCCN	0.72	1.0
Compound_835	CCCCCCc1ccco1	0.85	1.0
Compound_836	O=Cc1c(C)cc(cc1C)C	0.97	1.0
Compound_837	Nc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)N	0.41	0.0
Compound_838	Cc1nccnc1SCc1ccco1	0.49	0.0
Compound_839	Oc1c(Cl)cc(c(c1Cl)Cl)Cl	0.58	1.0
Compound_840	COC(=O)c1c(nc(c(c1CC(C)C)C1=NCCS1)C(F)(F)F)C(F)F	0.02	0.0
Compound_841	O=C1CC(=CC(C1)(C)C)C	0.42	0.0
Compound_842	OCCc1ccc(c(c1)O)O	0.7	1.0
Compound_843	N#CC(c1c(Cl)cc(cc1Cl)n1ncc(=O)[nH]c1=O)c1ccc(cc1)Cl	0.04	0.0
Compound_844	CCN(C(=O)n1nnn(c1=O)c1ccccc1Cl)C1CCCCC1	0.04	0.0
Compound_845	Clc1cc(N)c(c(n1)C(=O)O)Cl	0.19	0.0
Compound_846	Nc1cccc2c1c(N)ccc2	0.99	1.0
Compound_847	CCCCc1c(C)nc(nc1O)NCC	0.06	0.0
Compound_848	CCCCCCCCC(=O)OCC(CCCC)CC	0.9	1.0
Compound_849	CC1OC(C)OC(OC(O1)C)C	0.47	0.0
Compound_850	CCOC(OCCc1ccccc1)C	0.92	1.0
Compound_851	CCOP(=S)(OCC)SCSc1ccc(cc1)Cl	0.98	1.0
Compound_852	O=CC[C@H]1CC=C(C1(C)C)C	0.54	1.0
Compound_853	Clc1nc(nc(n1)Cl)Nc1ccccc1Cl	0.98	1.0
Compound_854	N#Cc1ccc(cc1)C(=O)C	0.97	1.0
Compound_855	Oc1cc(C)c(c(c1C)C)O	0.99	1.0
Compound_856	CC(OCCOC(=O)c1ccccc1O)C	0.74	1.0
Compound_857	C1CCC(CC1)Cc1nccnc1	0.47	0.0
Compound_858	CC1=NN(C(=N)C1)c1cccc(c1)S(=O)(=O)O	0.17	0.0
Compound_859	C=CC1(C)CCC(O1)C(=C)C	0.95	1.0
Compound_860	O=Cc1cc2c(o1)cccc2	0.95	1.0
Compound_861	COc1cc(C=CC(=O)O)ccc1O	0.89	1.0
Compound_862	O=C(N(C)C)Nc1ccc(cc1)C(C)C	0.97	1.0
Compound_863	COc1ccc2c(c1)CC(=O)CC2	0.97	1.0
Compound_864	O=C=Nc1cc(Cl)cc(c1)Cl	0.3	0.0
Compound_865	OCCS(=O)(=O)c1ccc(cc1)NC(=O)C	0.16	0.0
Compound_866	CC(C1CCC(=C)CC1)(O)C	0.11	0.0
Compound_867	CNC(=O)N(c1ccccc1)c1ccccc1	0.45	0.0
Compound_868	OS(=O)(=O)CCCNC1CCCCC1	0.06	0.0
Compound_869	CC(CNS(=O)(=O)c1ccccc1)O	0.2	0.0
Compound_870	CCCCCCCCCCCCCCCCCCOC(=O)CCS	0.98	1.0
Compound_871	NC(=O)c1c(Cl)cccc1Cl	0.63	1.0
Compound_872	CC(c1ccc(cc1)N=C=O)C	0.87	1.0
Compound_873	Cc1c(C)oc2c1cccc2	0.99	1.0
Compound_874	CC(CC(=O)Sc1cc(oc1C)C)C	0.66	1.0
Compound_875	S(Cc1ccco1)Cc1ccco1	0.5	0.0
Compound_876	BrCCC(CCBr)(CO)CO	0.79	1.0
Compound_877	CCCCCCCCCCCC(=O)OCCCCCC	0.95	1.0
Compound_878	Clc1cc(Cl)c(cc1N)Cl	0.99	1.0
Compound_879	BrCc1cccc(c1)C#N	0.91	1.0
Compound_880	CC(CC(C)(C)C)CC(C)(C)C	0.93	1.0
Compound_881	ClCCN(c1ccc(cc1)C=O)CC	0.94	1.0
Compound_882	Brc1cc(cc(c1O)Br)S(=O)(=O)c1cc(Br)c(c(c1)Br)O	0.95	1.0
Compound_883	O1CC1CN(c1ccccc1)CC1OC1	0.56	1.0
Compound_884	COP(=O)(SCn1c(=O)oc2c1ncc(c2)Cl)OC	0.94	1.0
Compound_885	CCOC(=O)OC1CCCCC1C(C)(C)C	0.86	1.0
Compound_886	CCCCCCCCc1ccco1	0.91	1.0
Compound_887	COc1cc(CC=C)cc(c1O)OC	0.48	0.0
Compound_888	O=N(=O)c1cc(ccc1Cl)C(F)(F)F	0.96	1.0
Compound_889	OCc1c[nH]c2c1cccc2	0.43	0.0
Compound_890	COCC(N(c1c(C)cccc1CC)C(=O)CS(=O)(=O)O)C	0.61	1.0
Compound_891	COc1cc2CC(=O)NC=Cc2cc1OC	0.11	0.0
Compound_892	N=C1NC(=N)c2c1cccc2	0.04	0.0
Compound_893	OC(=O)c1cc(c(cc1Cl)Cl)S(=O)(=O)N	0.02	0.0
Compound_894	COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C	0.04	0.0
Compound_895	ClC(=O)c1c(I)c(C(=O)Cl)c(c(c1I)N)I	0.75	1.0
Compound_896	CCCCCOC(=O)Cc1ccccc1	0.97	1.0
Compound_897	COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC	0.98	1.0
Compound_898	OC(=O)CCCCC1SSCC1	0.02	0.0
Compound_899	SCC1CCC2CC1C2(C)C	0.57	1.0
Compound_900	CC(=CC=CC(=O)C)CCC=C(C)C	0.35	0.0
Compound_901	CCCCCCCCCCCCOC(=O)CCCCCCCCCCC	0.95	1.0
Compound_902	CC(c1cccc(c1)C(O)(C)C)(O)C	0.94	1.0
Compound_903	N#Cc1nn(c(c1S(=O)CC)N)c1c(Cl)cc(cc1Cl)C(F)(F)F	0.67	1.0
Compound_904	COCC(N(c1c(C)cccc1CC)C(=O)C(=O)O)C	0.92	1.0
Compound_905	c1csc(c1)SSc1cccs1	0.98	1.0
Compound_906	O=C=Nc1cccc(c1)C(F)(F)F	0.15	0.0
Compound_907	O[C@H]1[C@H](O)O[C@H]2[C@@H]1OC(=O)[C@@H]2O	0.24	0.0
Compound_908	CCC(C1CCC(=O)CC1)(C)C	0.97	1.0
Compound_909	OC(=O)[C@@H](c1ccccc1Cl)O	0.61	1.0
Compound_910	COCCN(c1c(C)cccc1C)C(=O)CCl	0.95	1.0
Compound_911	O=C(ON1C(=O)CCC1=O)ON1C(=O)CCC1=O	0.13	0.0
Compound_912	Clc1c(C)cc(c(c1C)Cl)O	0.99	1.0
Compound_913	Cc1oc(c(c1)SC(=O)c1cocc1)C	0.61	1.0
Compound_914	CCCC(=O)OC(Cc1ccccc1)C	0.96	1.0
Compound_915	CCCCCCCCCCOc1cc2c(cc1OCC)ncc(c2O)C(=O)OCC	0.73	1.0
Compound_916	CO[C@@H]1C[C@H](C)CC[C@H]1C(C)C	0.21	0.0
Compound_917	N#CCCNCCCN(C)C	0.38	0.0
Compound_918	CCCCCCC1C(=O)CCC1C(=O)OC	0.87	1.0
Compound_919	CCC(c1ccccc1O)(C)C	0.97	1.0
Compound_920	CC(=C1CCC(CC1)(C)O)C	0.09	0.0
Compound_921	N#CCN(CC#N)CCCN(CC#N)CC#N	0.43	0.0
Compound_922	OC(=O)COc1ccc2c(c1)cccc2	0.92	1.0
Compound_923	COc1ccc(cc1)C=C(C(=O)OC)C(=O)OC	0.32	0.0
Compound_924	OC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1Cl)Cl)C	0.97	1.0
Compound_925	COC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C	0.9	1.0
Compound_926	CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C	0.96	1.0
Compound_927	ClCCN(c1ccc(c(c1)C)N=Nc1c(Cl)cc(cc1Cl)N(=O)=O)CC	0.97	1.0
Compound_928	CC(CCCCCCCOC(=O)CC(CC(C)(C)C)C)C	0.92	1.0
Compound_929	CCCC(=O)C(Sc1ccoc1C)CC	0.65	1.0
Compound_930	COc1ccc(c(c1)C)Nc1ccccc1	0.99	1.0
Compound_931	CCCCC(c1ccccc1)C#N	0.92	1.0
Compound_932	Clc1ccc(cc1)OC(C(=O)C(C)(C)C)n1cncc1	0.96	1.0
Compound_933	CC1(S)CCC2CC1C2(C)C	0.7	1.0
Compound_934	O=C1CCCCCCCCCCCCCCCO1	0.96	1.0
Compound_935	N#Cc1sc2=c(sc1C#N)c(=O)c1c(c2=O)cccc1	0.92	1.0
Compound_936	O=C1C(=C(Cl)C(=O)c2c1cccc2)Cl	0.78	1.0
Compound_937	COC(=O)c1cc(ccc1N(=O)=O)Oc1ccc(cc1Cl)Cl	0.93	1.0
Compound_938	Cc1nnc(c(=O)n1N)c1ccccc1	0.04	0.0
Compound_939	ClC1=C(Cl)C2(C(C1(Cl)C1C2COC1)(Cl)Cl)Cl	0.81	1.0
Compound_940	NC1=C(Cl)C(=O)c2c(C1=O)cccc2	0.21	0.0
Compound_941	Nc1ccn(c(=O)n1)[C@@H]1CS[C@@H](O1)CO	0.0	0.0
Compound_942	OS(=O)(=O)c1ccc2c(c1)nc([nH]2)c1ccccc1	0.87	1.0
Compound_943	Fc1ccc(cc1)N(C(=O)COc1nnc(s1)C(F)(F)F)C(C)C	0.93	1.0
Compound_944	OC(=O)CSc1nc(cc(n1)Cl)Nc1cccc(c1C)C	0.05	0.0
Compound_945	COc1cc(ccc1N=NC(C(=O)Nc1cc(Cl)ccc1OC)C(=O)C)N(=O)=O	0.8	1.0
Compound_946	COc1ccc(cc1)C=CC(=O)OCCC(C)C	0.93	1.0
Compound_947	ClCC(=O)N(c1c(C)cccc1C)Cn1cccn1	0.17	0.0
Compound_948	CCCCCCCCP(=O)(CCCCCCCC)CCCCCCCC	0.98	1.0
Compound_949	Cc1occc1SSc1ccoc1C	0.87	1.0
Compound_950	CCOC(=O)OCCOc1cc(O)c2c(c1N)C(=O)c1c(C2=O)cccc1	0.44	0.0
Compound_951	CNc1ccc2c(c1)c(O)cc(c2)S(=O)(=O)O	0.99	1.0
Compound_952	O=c1[nH]cnc2c1cccc2	0.11	0.0
Compound_953	CCOP(=S)(SCn1c(=O)oc2c1ccc(c2)Cl)OCC	0.99	1.0
Compound_954	O=C(N(C)C)Nc1cccc(c1)C(F)(F)F	0.88	1.0
Compound_955	O=C(NC(=O)c1ccccc1Cl)Nc1ccc(cc1)OC(F)(F)F	0.77	1.0
Compound_956	COc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl	0.99	1.0
Compound_957	CCOP(=S)(Oc1ccccc1C(=O)OC(C)C)NC(C)C	0.99	1.0
Compound_958	CC(CC(c1ccccc1)(C)C)OC(=O)C	0.92	1.0
Compound_959	c1ccc(cc1)Sc1ccccc1	0.98	1.0
Compound_960	CCCCc1c(C)nc(nc1OS(=O)(=O)N(C)C)NCC	0.95	1.0
Compound_961	C1CC=CCCC=CCCC=C1	0.96	1.0
Compound_962	OCC(COc1ccc(cc1)Cl)O	0.52	1.0
Compound_963	CC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)C[C@H](O)C1C2CCC2=CC(=O)CC[C@]12C	0.03	0.0
Compound_964	CCOc1ccc2c(n1)c(=O)c(c[nH]2)C(=O)NCc1ccccc1	0.01	0.0
Compound_965	Clc1c(ccc(c1N)N(=O)=O)Oc1ccccc1	0.95	1.0
Compound_966	CCCSP(=O)(Oc1ccc(cc1Cl)Br)OCC	0.99	1.0
Compound_967	CCCN(c1c(cc(cc1N(=O)=O)C(C)C)N(=O)=O)CCC	0.56	1.0
Compound_968	NCc1ccc(cc1)OC	0.27	0.0
Compound_969	C#CCOC(=O)[C@H](Oc1ccc(cc1)Oc1ncc(cc1F)Cl)C	0.74	1.0
Compound_970	Clc1ccc(cc1Cl)C(F)(F)F	0.68	1.0
Compound_971	Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)CCCO2	0.35	0.0
Compound_972	COC(=O)CSc1cc(N=c2sc(=O)n3n2CCCC3)c(cc1Cl)F	0.1	0.0
Compound_973	CCOC(=O)c1ccoc1c1ccccc1	0.97	1.0
Compound_974	CC(=O)C(=CCC1CC=C(C1(C)C)C)C	0.94	1.0
Compound_975	CCCN(C(=O)SCc1ccccc1)CCC	0.91	1.0
Compound_976	N#Cc1nn(c(c1C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F	0.64	1.0
Compound_977	CC(COC(=O)C1CCCCC1C(=O)OCC(C)C)C	0.94	1.0
Compound_978	COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(C2=O)COc1cc(=O)n2c(n1)c(OCCN1CCCCC1)ccc2	0.03	0.0
Compound_979	CC(CC(c1ccccc1)(C)C)O	0.77	1.0
Compound_980	O=C(C1CC=CCC1C(=O)OCC1OC1)OCC1OC1	0.69	1.0
Compound_981	ClC12C3C4(C(C1(Cl)Cl)(C1(C2(C3(Cl)C(C41Cl)(Cl)Cl)Cl)Cl)Cl)Cl	0.98	1.0
Compound_982	Nc1cnn(c(=O)c1Cl)c1ccccc1	0.07	0.0
Compound_983	ClCCCn1c(=O)[nH]c2c1cccc2	0.06	0.0
Compound_984	Cc1oc(cc1SSc1cc(oc1C)C)C	0.94	1.0
Compound_985	COC(=O)CC(c1ccc(cc1)Cl)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C	0.1	0.0
Compound_986	O=S(=O)(c1ccccc1)NS(=O)(=O)c1ccccc1	0.31	0.0
Compound_987	O=Cc1cccc(c1)Oc1ccccc1	0.99	1.0
Compound_988	CNC(=O)Oc1cccc2c1OC(O2)(C)C	0.92	1.0
Compound_989	OCC(CCCC1CCCCC1)C	0.95	1.0
Compound_990	CCOCCN(C(=C(C)C)c1ccccc1)C(=O)CCl	0.8	1.0
Compound_991	CCCN(c1c(cc(cc1N(=O)=O)C(F)(F)F)N(=O)=O)CC1CC1	0.56	1.0
Compound_992	CCCCCCCCCCCCOC(=O)CCCCCCCC	0.95	1.0
Compound_993	NCCc1ccc(c(c1)OC)OC	0.08	0.0
Compound_994	COCCOC[C@@H](C(=O)Oc1ccc2c(c1)CCC2)CC1(CCCC1)C(=O)N[C@@H]1CC[C@@H](CC1)C(=O)O	0.02	0.0
Compound_995	CCCCCCCCCCCCCCCCCCCCCC	1.0	1.0
Compound_996	CC(=CCCC(=CCCC(=O)C)C)CCC=C(C)C	0.09	0.0
Compound_997	CCON=C(C1=C(O)CC(CC1=O)C1CCCSC1)CCC	0.22	0.0
Compound_998	CCOC(=O)COc1cc(c(cc1Cl)F)n1ncc(c(c1=O)C)C(F)(F)F	0.04	0.0
Compound_999	O=C([C@H](Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C)OCCON=C(C)C	0.07	0.0
Compound_1000	ONC(=O)C1(CCOCC1)NS(=O)(=O)c1ccc(cc1)Oc1ccc(cc1)F	0.03	0.0