Index	SMILES	Probability	Label
Compound_1	CCC(CCCC(C)(C)C)C	0.99	1.0
Compound_2	COC(C(O)C)C	0.46	0.0
Compound_3	CC(C#CC(C)(C)C)(C)C	0.98	1.0
Compound_4	CCCCCCCCC=CCC	0.93	1.0
Compound_5	C[C@H]1CCC2=C(C)CC[C@H](C[C@@H]12)C(O)(C)C	0.32	0.0
Compound_6	CN(CCOc1ccc(cc1)CC(=O)C)C	0.16	0.0
Compound_7	O=C1CCC23C1(C)C=CC2C3(C)C	0.86	1.0
Compound_8	C1CC2CC3c4c2c(C1)ccc4CCC3	0.95	1.0
Compound_9	Cc1cc(C)c2c3c1ccc1c3c(cc2)ccc1	1.0	1.0
Compound_10	Cc1ccc(c2c1c(C)ccc2C)C	1.0	1.0
Compound_11	CCC(C(C=Cc1ccccc1)CC)C=Cc1ccccc1	0.98	1.0
Compound_12	Cc1ccc2c(c1)sc1c2c(C)ccc1	0.99	1.0
Compound_13	C=Cc1ccccc1C1OC=Cc2c1cccc2	0.96	1.0
Compound_14	CC(CCc1c(C)ccc(c1C)C)C	0.73	1.0
Compound_15	Cc1cc2c(cc1C)ccc1c2c(C)ccc1	0.99	1.0
Compound_16	Cc1cc2c(cc1C)Cc1c2cccc1	0.99	1.0
Compound_17	Cc1ccc2c(c1)c1cc(C)ccc1s2	0.97	1.0
Compound_18	CCc1cc(ccc1CC)c1ccccc1	0.94	1.0
Compound_19	Cc1cc(cc(c1)C)c1cc(C)cc(c1)C	0.99	1.0
Compound_20	CCC#CCCCCC#CCC	0.97	1.0
Compound_21	CCc1ccc2c(c1)c1ccccc1s2	0.98	1.0
Compound_22	Cc1cc2ccccc2c2c1ccs2	0.98	1.0
Compound_23	C1Cc2cc3ccccc3c3c2c(C1)ccc3	0.99	1.0
Compound_24	CCCc1c2ccccc2cc2c1cccc2	0.96	1.0
Compound_25	Cc1ccc2c(c1)Cc1c(C2)cccc1	0.99	1.0
Compound_26	CC1c2ccccc2C(c2c1cccc2)C	0.99	1.0
Compound_27	CC1c2ccccc2C(c2c1cccc2)(C)C	0.99	1.0
Compound_28	C=CCc1c2ccccc2cc2c1cccc2	0.99	1.0
Compound_29	CCC1c2ccccc2C(c2c1cccc2)C	0.99	1.0
Compound_30	CC(c1ccccc1)CC(C)C	0.95	1.0
Compound_31	CCCCCCC(c1ccccc1)CCCC	0.87	1.0
Compound_32	CCCCCC(c1ccccc1)CCCC	0.84	1.0
Compound_33	CCCCCCCCC(c1ccccc1)CCCC	0.87	1.0
Compound_34	CCCCCCCC(c1ccccc1)CC	0.86	1.0
Compound_35	CCCCCCCCCC(c1ccccc1)C	0.84	1.0
Compound_36	CCCCCCCCCCC(c1ccccc1)C	0.84	1.0
Compound_37	CCCC(c1ccccc1)CCCCCC	0.84	1.0
Compound_38	CSC=C(c1ccccc1)c1ccccc1	0.97	1.0
Compound_39	Cc1ccc(cc1C)Cc1ccccc1	0.92	1.0
Compound_40	CC(CCCC(c1ccc(cc1)C)C)C	0.55	1.0
Compound_41	C=CCOCc1ccc(cc1)C	0.95	1.0
Compound_42	ClCCCOP(=O)(OC(CCl)C)OCCCCl	0.97	1.0
Compound_43	Cc1ccc(c2c1c1ccccc1[nH]2)C	0.99	1.0
Compound_44	Cc1cc2c(cc1C)[nH]c1c2c(C)ccc1	0.98	1.0
Compound_45	CCCCOC(=O)Oc1ccccc1	0.97	1.0
Compound_46	CC(c1ccc(cc1)C1CC1c1ccco1)C	0.82	1.0
Compound_47	c1ccc2c(c1)c1ccccc1CCCC2	0.81	1.0
Compound_48	Cc1c(C)c(C)c(c2c1cccc2)C	0.99	1.0
Compound_49	CC=Cc1c(C)c(C)c(c2c1cccc2)C	0.98	1.0
Compound_50	Cc1oc2c(c1C)c1ccccc1cc2	0.99	1.0
Compound_51	Cc1c2ccccc2c(c2c1scc2)C	0.97	1.0
Compound_52	CC(CCc1cc(C)ccc1C)CCCC(C)C	0.74	1.0
Compound_53	Cc1cc(C)c2c(c1)ccc1c2c(C)cc(c1)C	1.0	1.0
Compound_54	Cc1ccc2c(c1C)c1c(cc2)ccc(c1C)C	0.99	1.0
Compound_55	Cc1cccc2c1c1c(C)cccc1cc2	1.0	1.0
Compound_56	CC[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2[C@]1(C)CCCC2	0.94	1.0
Compound_57	Cc1nc(c2ccccc2)c(c(c1C)C)C	0.96	1.0
Compound_58	Cc1ccc2c(c1)c1cccc(c1s2)C	0.99	1.0
Compound_59	CCCCC=CCCC=O	0.94	1.0
Compound_60	CC1(C)c2ccccc2c2c1cccc2	1.0	1.0
Compound_61	Cc1cc2ccc3c(c2cc1C)cccc3	0.99	1.0
Compound_62	O=C[C@]1(C)CCC[C@]2(C1CCc1c2ccc(c1)C(C)C)C	0.66	1.0
Compound_63	CC1CCCC2C1CCc1c2ccc(c1)C(C)C	0.55	1.0
Compound_64	CCCCC#CCCCCCCCCCC=O	0.94	1.0
Compound_65	CC=C(CCC=C(CCC=C(CCC=C(CCC=C(C)C)C)C)C)C	0.11	0.0
Compound_66	CCCCCCCCCC#CC=CCCC	0.86	1.0
Compound_67	Cc1ccc2c(c1)ccc1c2sc2c1cccc2	0.99	1.0
Compound_68	Cc1ccc2c(c1)c(C)c1c(c2)c2c(s1)cccc2	0.97	1.0
Compound_69	CCCCCC1=CCC(CC1)C1CCC(CC1)CC	0.94	1.0
Compound_70	CC([C@@H]1CC[C@@H](c2c1cc(C)cc2)C)C	0.89	1.0
Compound_71	Cc1ccc(cc1C)c1ccc(c(c1)C)C	0.99	1.0
Compound_72	CC(CCc1ccc(c(c1C)C)C)C	0.73	1.0
Compound_73	CC(c1ccc(cc1)Oc1ccccc1)(C)C	1.0	1.0
Compound_74	CCCc1c(C)ccc2c1cccc2	0.9	1.0
Compound_75	CC(=O)OC1C=Cc2c(C1)cccc2	0.98	1.0
Compound_76	CCC(c1ccccc1)(C=C)CC	0.96	1.0
Compound_77	C1C=C2C3(C1)CCC(C2)C3	0.98	1.0
Compound_78	O=CCCCCOC(=O)c1ccccc1	0.94	1.0
Compound_79	OC1C=Cc2c(c3c1cccc3)cccc2	0.99	1.0
Compound_80	CCCCCC(c1ccccc1)CCCCC	0.84	1.0
Compound_81	COc1cc(C=O)ccc1OCc1ccc(cc1)C	0.95	1.0
Compound_82	CCC(c1ccccc1)(CC)CC	0.96	1.0
Compound_83	CCCCCCCCC(c1ccccc1)CC	0.86	1.0
Compound_84	CCC(c1ccccc1)CC	0.89	1.0
Compound_85	CCCCCCCCCCC(c1ccccc1)CC	0.86	1.0
Compound_86	CCCCC(c1ccccc1)(CCC)C	0.84	1.0
Compound_87	CCCCCCCCCC(c1ccccc1)CCC	0.84	1.0
Compound_88	CCCCCCCCCCCC(CCCC(C)C)C	0.99	1.0
Compound_89	CCC(C(c1ccccc1)CC)c1ccccc1	0.98	1.0
Compound_90	CCC1OC(CC)OC(O1)CC	0.71	1.0
Compound_91	CCc1ccc(cc1)c1ccc(cc1)C(=O)O	0.76	1.0
Compound_92	CCc1c2ccccc2c(c2c1cccc2)C	0.99	1.0
Compound_93	CCCCCCCCCCCCCCCCC(c1ccccc1)C	0.84	1.0
Compound_94	CCCCCCCCCCCCCCC(c1ccccc1)C	0.84	1.0
Compound_95	Cc1c2ccccc2cc2c1sc1c2cccc1	0.98	1.0
Compound_96	O=C1CCC23C1(C)C2C=CC3(C)C	0.9	1.0
Compound_97	CCCCCCCCCCCC(c1ccccc1)(C)C	0.82	1.0
Compound_98	OCCC(CCCC(CCCC(C)C)C)C	0.91	1.0
Compound_99	O=CC1(C)CCCC2(C1CCc1c2ccc(c1)C(C)C)C	0.66	1.0
Compound_100	CCCCCCCCCCOC(=O)C(Cl)C	0.98	1.0
Compound_101	CCCCCCCCCCCOC(=O)c1ccccc1Cl	0.96	1.0
Compound_102	CC1(C)C=CC(C1)(C)C	0.94	1.0
Compound_103	CCCCCC(C=C)(C)C	0.87	1.0
Compound_104	CCCCCCCCCC=CCCC	0.94	1.0
Compound_105	CCCCC=CC(CCCC)C	0.83	1.0
Compound_106	CCC(C1CC1)C	0.89	1.0
Compound_107	C[C@@H]1CCCC[C@H](CC1)C	0.99	1.0
Compound_108	COC(=O)CCCCCCCCCCCCCC(C)C	0.83	1.0
Compound_109	CCCC(C=C)(C)C	0.95	1.0
Compound_110	CCCC=CCCCCC(C)C	0.93	1.0
Compound_111	CCCCCCCCCCCCC=CCCCC	0.94	1.0
Compound_112	C1C[C@@H]([C@@H]1c1ccccc1)c1ccccc1	0.97	1.0
Compound_113	C[C@@H]1CCCC[C@@H](CC1)C	0.99	1.0
Compound_114	CCCCCCCCCCCCCCCC(=O)OC(C)(C)C	0.85	1.0
Compound_115	CCCCCCCCC=CCCC	0.94	1.0
Compound_116	CCC(c1ccccc1)CCc1ccccc1	0.92	1.0
Compound_117	CCCCCCCCCCCCCCOC(=O)C(F)(F)F	0.98	1.0
Compound_118	COc1ccc(cc1)C(=C)c1ccc(cc1)OC	0.94	1.0
Compound_119	CCCCCCCCC(c1ccccc1)(C)C	0.82	1.0
Compound_120	CCCCCCCNC(=O)N	0.68	1.0
Compound_121	CC(CC1C(C1(C)C)C)C	0.97	1.0
Compound_122	c1ccc(cc1)C12CCC(CC1)(N=N2)c1ccccc1	0.38	0.0
Compound_123	C=C(c1ccccc1)CCCC(=C)C	0.87	1.0
Compound_124	CCCCC=CC(CC)C	0.81	1.0
Compound_125	CC(=O)CN1C(=O)c2c(C1=O)cccc2	0.13	0.0
Compound_126	C1CC=CCC2C(CC=C1)C1CCC2C1	0.74	1.0
Compound_127	CCCCC=CCC(=C)N(=O)=O	0.85	1.0
Compound_128	CCC(CCC(CCCCC(C)C)C)C	0.99	1.0
Compound_129	CCCCC(CCCCC(C)C)C	0.99	1.0
Compound_130	CCCC(CCCCCC(C)C)C	0.99	1.0
Compound_131	CC(CCCCCCC(C)C)C	0.96	1.0
Compound_132	CCCCC=CC=O	0.8	1.0
Compound_133	CCC=C=CCC(C)C	0.72	1.0
Compound_134	CCCCCCC#CC(O)C	0.94	1.0
Compound_135	CCCCCCCC=CCCC	0.94	1.0
Compound_136	CCC(CC(C)(C)C)CC(C)(C)C	0.98	1.0
Compound_137	OC1COC(=C(C1=O)O)C	0.49	0.0
Compound_138	CCCCCCC(CCC=C)C	0.96	1.0
Compound_139	O=CCCCCCCCC=CCC=CCC=CCC	0.96	1.0
Compound_140	CCCCCC=CCC=CCCCCCCCC=O	0.88	1.0
Compound_141	CCCNC(=O)c1ccccc1	0.34	0.0
Compound_142	CCC1CC2CC1CC2	0.93	1.0
Compound_143	CCCCCCCCCC(C)(C)C	0.99	1.0
Compound_144	CC(CCCCCCCCC(C)(C)C)(C)C	0.98	1.0
Compound_145	CCCC(CCCC(CCCC(CCCC(C)C)C)C)C	0.99	1.0
Compound_146	c1ccc(cc1)C1CCCc2c1cccc2	0.9	1.0
Compound_147	CCCCCCCCCCCCC(CCCCC)C	0.99	1.0
Compound_148	CC(CCCCC(C)(C)C)(C)C	0.99	1.0
Compound_149	CCC(CCCC(C)C)CC	0.99	1.0
Compound_150	CCCCCCCCC(CCCCCC)C	0.99	1.0
Compound_151	O=N(=O)C1C2CC3CC1CC(C2)C3	0.95	1.0
Compound_152	CCCCCC#CC(=C)C	0.7	1.0
Compound_153	O=CC=Cc1ccccc1OC	0.86	1.0
Compound_154	CC[C@@H](C=CCC(C)C)C	0.78	1.0
Compound_155	CCCCCCC=CCCCC	0.94	1.0
Compound_156	C=C1CCCC=CC2C1O2	0.95	1.0
Compound_157	C=CC(=CCC=C(CCC=C(C)C)C)C	0.09	0.0
Compound_158	CC1=C[C@@H]2[C@H](CC1)C(=CC[C@H]2C(C)C)C	0.93	1.0
Compound_159	CC1=CC2C(CC1)(O)C(C)CCC2C(C)C	0.06	0.0
Compound_160	CCC1(CC)C=C1	0.79	1.0
Compound_161	CC1=CC2C(=CC1)C(C)CCC2C(C)C	0.83	1.0
Compound_162	CCCCCCCCCCCCC(CCCC(C)C)C	0.99	1.0
Compound_163	CCC(CC(CC(C)C)C)C	0.94	1.0
Compound_164	CCCCCCCCC=CCCCCCCCC(=O)OCC(OC(=O)C)COC(=O)C	0.5	0.0
Compound_165	CCCCCCCCCCCC(=O)OCCCOC(=O)CCCCCCCCCCC	0.57	1.0
Compound_166	CCCCCCCCCCCCCCCC(=O)OCC(OC(=O)C)COC(=O)C	0.08	0.0
Compound_167	CC1=CCCC(=CCC=C(/C=C/[C@@H](CC1)C(C)C)C)C	0.23	0.0
Compound_168	CCCCCCCCCC(CI)C	0.99	1.0
Compound_169	CCCCCCCCCCC=CCCCCCCCCC	0.94	1.0
Compound_170	CCC(CC(CCCC(C)C)C)C	0.98	1.0
Compound_171	CCCCC(CCC(CCC)C)C	0.99	1.0
Compound_172	CCCCC(CC(CC(C)C)C)C	0.99	1.0
Compound_173	CCC(CCCCC(CCCC(CCCC(C)C)C)C)C	0.99	1.0
Compound_174	CCCCCCCCCCCCCCCC(C)C	0.99	1.0
Compound_175	CCCCCCCCCCCCCC(CC)C	0.99	1.0
Compound_176	CCCCCCCCCCCCC(CC)C	0.99	1.0
Compound_177	CCC=CC=CCCCCCC=C	0.97	1.0
Compound_178	CCCCCC=CCC=CCCCCCCCCCC(=O)OC	0.91	1.0
Compound_179	CCCCC(CCCC(C)C)C	0.99	1.0
Compound_180	CCCCCCCCCCC=CC	0.94	1.0
Compound_181	CCCCCCCCC=CCCCCCCCC=O	0.94	1.0
Compound_182	CC(C(C)C)CCC(C(C)C)C	0.95	1.0
Compound_183	CC(C(C(C)(C)C)C)C	0.97	1.0
Compound_184	CCC(CC1CCCCC1)C	0.92	1.0
Compound_185	CC1(C)CCCC21CCCC2(C)C	0.96	1.0
Compound_186	C=CCCCCCCCCCC(=O)C=C	0.98	1.0
Compound_187	C=CCCCCCCCCCCCCCCCCC=C	0.98	1.0
Compound_188	C1CCC(CC1)CCC(CCCC1CCCC1)CCCC1CCCC1	0.96	1.0
Compound_189	CCCCCCCCC(CCCC1CCCC1)CCCC1CCCC1	0.97	1.0
Compound_190	CC1CCCC(C)CCC(CC1)C(C)C	0.97	1.0
Compound_191	CCCCC=CCCCCCCC=C	0.96	1.0
Compound_192	CCCCCCC1(CCCCC1)N(=O)=O	0.87	1.0
Compound_193	CCCCCCCCCC1CC1C(C)C	0.91	1.0
Compound_194	CCCCCCCCCCCCCC(=C)C	0.95	1.0
Compound_195	CCCCCC1CCCC1CCC	0.87	1.0
Compound_196	CCCCC#CCCCCCCCCCCO	0.99	1.0
Compound_197	CCCCCCCCCCC(C(CC)CC)CCCCCCCCCC	0.99	1.0
Compound_198	Cn1ccnc1N	0.45	0.0
Compound_199	CCCCCCC1CCC2C(C1)CC(C2)CCCC	0.86	1.0
Compound_200	CCCCCCCC#CC	0.99	1.0
Compound_201	CCC(CCC(O)C)CC	0.46	0.0
Compound_202	CCCCCCCCC1=C(C1)CCCCCCCO	0.34	0.0
Compound_203	CCCCCCCCCCCCC#CCC	0.97	1.0
Compound_204	CCCC(C#CCC)C	0.81	1.0
Compound_205	CCCCCCCCCCC#CCC	0.97	1.0
Compound_206	O=Cc1ccc(cc1O)OCc1ccccc1	0.99	1.0
Compound_207	CCC(C#CC=O)CC	0.96	1.0
Compound_208	CCCCCCCCCC#CCCC	0.97	1.0
Compound_209	CCCCCCC#CCCC	0.96	1.0
Compound_210	CCCCCCC1CC2CCCC2CC1CCCC	0.8	1.0
Compound_211	CCCCCCC#CCCCCCCCCCCl	0.99	1.0
Compound_212	CCCCCCCC#CCCCCCC	0.97	1.0
Compound_213	CCCCCCCC#CCCCCCCC	0.97	1.0
Compound_214	CCCCCCCCCCC#CCCCCCCCC	0.97	1.0
Compound_215	CCCCCCCCC#CCCCCCCCC	0.97	1.0
Compound_216	CC(=CN1CC1)C	0.07	0.0
Compound_217	ClC1CC2CC1CC2	0.97	1.0
Compound_218	Cc1ccc(cc1)C1N=c2c(c[nH]n2C(C1)C(F)(F)F)C(=O)N1CCN(CC1)c1ccc(cc1)F	0.01	0.0
Compound_219	CCCCCC1C2C1CCC(C2)C	0.55	1.0
Compound_220	CCC(C(B(C(C)C)C(C)C)C(C)C)C(C)C	0.96	1.0
Compound_221	CCCCCCCCC1CCCCCCCCC1	0.99	1.0
Compound_222	C(CC1CCCCC1)CC1CCCCC1	0.97	1.0
Compound_223	CCC1CC(CC)C(CC1CC)CC	0.94	1.0
Compound_224	C[C@@H]1CCCC[C@H]1CC1CCCCC1	0.75	1.0
Compound_225	CCCC1CCCCC1CC	0.83	1.0
Compound_226	CC1CCCCCCC1	0.99	1.0
Compound_227	CCCCCCCCCCCCCCCCCCCCCC1CCCC1	0.97	1.0
Compound_228	CC([C@H]1[C@H](C1=C(C)C)C)C	0.71	1.0
Compound_229	CCCCC(C(CCC(C)C)C)C	0.98	1.0
Compound_230	O=C(c1ccccc1)COC(=O)C	0.94	1.0
Compound_231	CCCCC(COC(=O)c1ccccc1C(=O)OC)CC	0.9	1.0
Compound_232	CCCC(C=C)C=C	0.98	1.0
Compound_233	CCCCCCCC1CC1CC	0.84	1.0
Compound_234	CCCCCCCCCCCC=CCCCCCCCCCC	0.94	1.0
Compound_235	C#CCCCCCCCCCCCCCCCC(=O)O	0.09	0.0
Compound_236	CCCCCCCCCCCCCCCCC=CCC	0.93	1.0
Compound_237	CCCCCCCCCC=CCCCCCCCC	0.94	1.0
Compound_238	CCCCCCCCCCC(C1CCCCC1)C	0.9	1.0
Compound_239	CCCCCC=CCOC(=O)C(=CC)C	0.95	1.0
Compound_240	CCCCCCCCCCCCCCC(CC)C	0.99	1.0
Compound_241	COOC	0.89	1.0
Compound_242	CCCCCCCCCCCCCCCCCC=CCCCCCCCCCCCCCCCC	0.94	1.0
Compound_243	CCCCCCCCCCCC(=O)CCCCCC	0.96	1.0
Compound_244	CCCCCCCCCC(=O)CCCCCCCC	0.96	1.0
Compound_245	CCCCCCCCCCC=CCCCCC(C)C	0.95	1.0
Compound_246	CC(C(C1CCCCC1)C)C1CCCCC1	0.89	1.0
Compound_247	CCCC1CCCCCC(C1)C	0.98	1.0
Compound_248	CCCCCCCCCCCCCCCCCC(CC)C	0.99	1.0
Compound_249	CCCCCC(CCCC(CCCC(C)C)C)C	0.99	1.0
Compound_250	CCC(CCCCCCC(C)C)C	0.98	1.0
Compound_251	CCCCC1CC(=CC1=O)OC	0.56	1.0
Compound_252	C1CCCCC2C(CC1)C2	0.9	1.0
Compound_253	CCCCC1CCCC1CCC	0.87	1.0
Compound_254	CCCCC1(C)CC1CCC	0.92	1.0
Compound_255	C1CCCCCCCCCCCC1	0.99	1.0
Compound_256	CCCCC(=O)NCC	0.83	1.0
Compound_257	CCCC(CCCCC(CC)C)C	0.99	1.0
Compound_258	CCCCCCCCCC1CC1(C)C(C(C)C)C	0.96	1.0
Compound_259	CCCCCCCCCCCCCCCCCCCN(C)C	0.87	1.0
Compound_260	O=C(c1ccccc1Cl)OCCN1CCCCC1	0.02	0.0
Compound_261	CCCCC(CCCC(CC)C)C	0.99	1.0
Compound_262	C1=Cc2c(C1)cccn2	0.95	1.0
Compound_263	CC(C1CCC(C1C)C)C	0.94	1.0
Compound_264	CCCCC[C@H]1C[C@@H]1CCCC	0.84	1.0
Compound_265	CCCCCCC=CCCCCCCCCO	0.97	1.0
Compound_266	N=Cc1ccccc1	0.34	0.0
Compound_267	C1CCC2(CC1)CC2	0.96	1.0
Compound_268	CC1CCC23C1CC(C3(C)C)CCC2C	0.87	1.0
Compound_269	CCCCCCCCCCCOC(=O)c1ccccc1	0.98	1.0
Compound_270	CC(C1CCC=CC1)(C)C	0.7	1.0
Compound_271	O=C(OC(C)(C)C)C=CC(=O)OC(C)(C)C	0.59	1.0
Compound_272	OC[C@@H]1CC[C@H](CC1)C(C)C	0.73	1.0
Compound_273	OC(=O)c1ccccc1	0.93	1.0
Compound_274	CC1(C)CCC[C@]2([C@H]1CC[C@@]1([C@@H]2CCO1)C)C	0.63	1.0
Compound_275	CCC(C1C=CC2C(C1)CC(=O)C2)C	0.92	1.0
Compound_276	CCO[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C	0.96	1.0
Compound_277	C[SiH](O[Si](O[Si](O[Si](O[Si](O[SiH](C)C)(C)C)(C)C)(C)C)(C)C)C	0.84	1.0
Compound_278	C[SiH](O[Si](O[Si](O[Si](O[SiH](C)C)(C)C)(C)C)(C)C)C	0.84	1.0
Compound_279	CC=C1C=Cc2c1cccc2	0.95	1.0
Compound_280	CCc1c(CC)ccc(c1C)C	0.65	1.0
Compound_281	Cc1cc(cc(c1)C)C(C)C	0.99	1.0
Compound_282	CCc1ccc(c(c1)C)CC	0.73	1.0
Compound_283	Cc1cc(C)c2c(c1)CCC2C	0.73	1.0
Compound_284	O=C1C=CC2(C(C1)(C)CC(CC2)C(C)C)C	0.84	1.0
Compound_285	Cc1ccc(c2c1CCC2)C	0.83	1.0
Compound_286	CCC1(C)c2ccccc2C(c2c1cccc2)C	0.98	1.0
Compound_287	CC(=C)C1CC(C(=C)C)C(C(C1)(C)C)C	0.97	1.0
Compound_288	CCCCCCCCCC1CC1	0.97	1.0
Compound_289	CCCCCCCCCCC[C@H]1C[C@@H]1CCCCC(=O)OC	0.89	1.0
Compound_290	CC1CCCc2c1c(C)ccc2	0.92	1.0
Compound_291	CCc1cccc2c1CCCC2	0.89	1.0
Compound_292	CC[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)CCC(=O)C2	0.92	1.0
Compound_293	c1cc2CCc3c4c2c(c1)ccc4ccc3	0.98	1.0
Compound_294	CCCCCCCCCCCCC1C2CCCCC2CC2C1CCCC2	0.94	1.0
Compound_295	O=S(=O)(c1ccc2c(c1)cccc2)c1ccc2c(c1)cccc2	0.94	1.0
Compound_296	O=CCCCCCCCC(=O)OC	0.85	1.0
Compound_297	CCCCCCC1CC=CCCCCCCCC(=O)O1	0.97	1.0
Compound_298	S1SSSSSSS1	0.91	1.0
Compound_299	CC(=CCCC=C(CCC=C(CCC(C(=C)C)O)C)C)CCC=C(CCC=C(C)C)C	0.14	0.0
Compound_300	C=CCOCC(O)C	0.93	1.0
Compound_301	CCCCOC(CC)C	0.94	1.0
Compound_302	C1OCC2C(O1)Cc1c2cccc1	0.95	1.0
Compound_303	O=C1C=CC2OC1OC2	0.82	1.0
Compound_304	CC(N(C(C)C)CCCCCCN(C(C)C)C(C)C)C	0.41	0.0
Compound_305	CC1=CCCC(C1=C)(C)C	0.66	1.0
Compound_306	CCCCOCCCl	0.92	1.0
Compound_307	CC(OC=O)CC	0.99	1.0
Compound_308	CCC1OCCN1C	0.57	1.0
Compound_309	CC1C(C)OC1C	0.92	1.0
Compound_310	CCCCCCCC(C(C)C)O	0.64	1.0
Compound_311	CCCCC(CCC(C)C)O	0.72	1.0
Compound_312	CCCCCCCC(CC)O	0.89	1.0
Compound_313	CCCCCCCCCC(CC)O	0.91	1.0
Compound_314	CC(CCC(C(C)C)O)C	0.46	0.0
Compound_315	CCCCCCCCCCC=CCC	0.93	1.0
Compound_316	CCCCCCCCCC=CCCCCCCCl	0.99	1.0
Compound_317	CCCCCCCC1CC1C	0.84	1.0
Compound_318	CCCCCCCCCCCC(N)C	0.61	1.0
Compound_319	CCC1OC(CC)OC(O1)C	0.75	1.0
Compound_320	CCC(C(C(O)C)C)C	0.53	1.0
Compound_321	CCCCCC[C@@H](O)C	0.89	1.0
Compound_322	CCCCCC=C(CCCC)C=O	0.44	0.0
Compound_323	CCC1CCC1	0.94	1.0
Compound_324	CCCCCCCCCCCCOCCCl	0.93	1.0
Compound_325	CCC(C(CCC(C)C)C)C	0.98	1.0
Compound_326	OCC(NCc1ccccc1)C	0.35	0.0
Compound_327	CC(CCCC(=C)C)C	0.41	0.0
Compound_328	OCCCCC(CC)C	0.95	1.0
Compound_329	CCCC(C(COC(=O)C(C)C)CC)O	0.48	0.0
Compound_330	Cc1ccccc1c1ccccc1C	0.99	1.0
Compound_331	CCCCC(CCOC(=O)C)C	0.93	1.0
Compound_332	CC(c1ccccc1)C=Cc1ccccc1	0.92	1.0
Compound_333	OCCOCCOCCOc1ccc(cc1)C(CC(C)(C)C)(C)C	0.68	1.0
Compound_334	CCC1OCC(N1)(C)C	0.42	0.0
Compound_335	O=C(C(=O)c1ccccc1)C(=O)c1ccccc1	0.79	1.0
Compound_336	CCC(CCC1CC1C)C	0.92	1.0
Compound_337	CCCCC(C(C)C)C	0.88	1.0
Compound_338	CC=CC(=O)C	0.94	1.0
Compound_339	CCCC[C@H]1C=CC[C@H]1C=C	0.81	1.0
Compound_340	CCCCC=CCCCCCCCCO	0.97	1.0
Compound_341	CO[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CCCC(C)C)C)C)C1)C	0.74	1.0
Compound_342	BrC1CC1C(C)(C)C	0.99	1.0
Compound_343	CC(=CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CCC1=C2CCC2[C@]1(C)CC[C@@H]([C@H]2C)O)C)C	0.08	0.0
Compound_344	CCCCCC=CCC=CCCCCCC=O	0.84	1.0
Compound_345	CCCCCCCCC1CCCC1=O	0.92	1.0
Compound_346	COC(=O)CCCCCCCCCCC1CCCC1	0.95	1.0
Compound_347	CCCCCCC(C1CCCC1=O)C	0.87	1.0
Compound_348	CCCCCCCCCCCCCCC(CC)O	0.93	1.0
Compound_349	CCOC(=O)[C@@H]1O[C@@]1(C)c1ccccc1	0.76	1.0
Compound_350	C[C@@H]1OC(=O)[C@@H](OC1=O)C	0.51	1.0
Compound_351	CC(C1CCCC1)C1CCCC1	0.92	1.0
Compound_352	C=CCCCCCCCCCC=C	0.98	1.0
Compound_353	CCCCC=CCC=CCCCC=C	0.87	1.0
Compound_354	C=C1CCC2C(C1C)CCCC2	0.75	1.0
Compound_355	CCCCCC1CCCCC1C	0.83	1.0
Compound_356	CC(=C1C2CCCC1(C)C(=O)CC2)C	0.78	1.0
Compound_357	CC1CCCC2C1CCCC2	0.83	1.0
Compound_358	C=CCC(CC(CC(C)C)C)C	0.96	1.0
Compound_359	ClCC(=CCl)Cl	0.93	1.0
Compound_360	CC(CC(C)C)CC(C)C	0.79	1.0
Compound_361	CCC1CCC(C(C1)CC)C	0.89	1.0
Compound_362	CCCC(CC(=C)C)C	0.67	1.0
Compound_363	CC(CCCC(C)C)CCCCC(C)C	0.96	1.0
Compound_364	CC(CCC#CCCC(C)C)C	0.67	1.0
Compound_365	CCCCC1CCCC(=O)C1	0.98	1.0
Compound_366	CC1CCCC2C1C1C(C)CCCC1CC2	0.86	1.0
Compound_367	CCCCC=CC=CCCCC	0.9	1.0
Compound_368	CCCCCCCCCCC#CCCCC	0.97	1.0
Compound_369	CCCCCCCC=C1C2C1CCCC2	0.94	1.0
Compound_370	CCCCCCC#CCCCCCC	0.96	1.0
Compound_371	CCC=CCCCCC=CCCCCCCCC(=O)OC	0.92	1.0
Compound_372	CCC1CCC2C(C1)CCCC2	0.88	1.0
Compound_373	CC1=C(C)CCCCCCCC1	0.89	1.0
Compound_374	C1CCCCCC=CCCCC1	0.99	1.0
Compound_375	CCC(=C(C1CCCCC1)C)CC	0.9	1.0
Compound_376	CCC(C(=C1CCCCC1)C)CC	0.42	0.0
Compound_377	CC[C@]1(C)CCC[C@H](C1)C	0.95	1.0
Compound_378	CCC1(C)CCC(CC1)C	0.95	1.0
Compound_379	CCC1C(C)CCCC1C	0.92	1.0
Compound_380	CCC1(C)CCCCC1	0.98	1.0
Compound_381	CCCCCCCCC1=CCCCC1	0.96	1.0
Compound_382	CC(=C)CC1(C)CCC(C1)(C)C	0.91	1.0
Compound_383	CC1CCC2C(C1)CCCC2	0.83	1.0
Compound_384	C1CCC(CC1)CC1CCCCC1	0.96	1.0
Compound_385	C1CCC2(C1)CCC1(CC2)CCCC1	0.76	1.0
Compound_386	CCC(CCC(C)C)(C)C	0.95	1.0
Compound_387	CC1CCC2C(C1)CCCC2C	0.81	1.0
Compound_388	CC1CCC2C(C1)CCC(C2)C	0.79	1.0
Compound_389	C1CC2CCCC3C2C(C1)CCC3	0.84	1.0
Compound_390	C1CCC2C(C1)CC1C(C2)CCCC1	0.83	1.0
Compound_391	CCCC(c1ccccc1)(C)C	0.95	1.0
Compound_392	CCCCCC(CCC(CC)C)C	0.99	1.0
Compound_393	CCCCCCCCCC(c1ccccc1)(C)C	0.82	1.0
Compound_394	CC1(CC)CC1Cl	0.96	1.0
Compound_395	CC1CCC23C1CC(C3(C)C)CCC2	0.89	1.0
Compound_396	CCC(C(C)(C)C)(C)C	0.97	1.0
Compound_397	O=C1NC(C(=O)N1)C	0.03	0.0
Compound_398	CCC(CCCC(C)C)C	0.98	1.0
Compound_399	ICCc1ccccc1	0.97	1.0
Compound_400	N#CCCC1CCC(c2c1cccc2)C#N	0.83	1.0
Compound_401	CCC=C(CC)C	0.59	1.0
Compound_402	CCCC(=CC)C	0.43	0.0
Compound_403	CCCCCCCC=CC(C)C	0.96	1.0
Compound_404	C=CCC(c1ccccc1)C	0.97	1.0
Compound_405	C=CCC(C(C)C)OC(c1ccccc1)C	0.42	0.0
Compound_406	O=N(=O)C1C(C)C2CCCC(C1C)(C2=O)C	0.79	1.0
Compound_407	C1CC(C1c1ccccc1)c1ccccc1	0.97	1.0
Compound_408	CCCCC(CC)CC	0.95	1.0
Compound_409	O=NN1CCC1	0.49	0.0
Compound_410	c1ccc(cc1)C1CCc2c(C1)cccc2	0.86	1.0
Compound_411	c1ccc(cc1)C1=CCCc2c1cccc2	0.96	1.0
Compound_412	CC1(OC1)c1ccccc1	0.95	1.0
Compound_413	Cc1ccc(cc1)CS(=O)(=O)c1cccs1	0.92	1.0
Compound_414	C1CCC(=CC1)C12CC3CC(C2)CC(C1)C3	0.96	1.0
Compound_415	CC(=CC(c1ccccc1)(C)C)c1ccccc1	0.9	1.0
Compound_416	O=S1(=O)CCCC(C1)c1ccccc1	0.62	1.0
Compound_417	CCCCC(OC(=O)C=C)CCC	0.98	1.0
Compound_418	N#CC1CCC=CC1	0.97	1.0
Compound_419	ICCCCCc1ccccc1	0.95	1.0
Compound_420	CCC(C(C)C)CC(C)C	0.9	1.0
Compound_421	CCCCCCCCCCCCCC(=O)OC=C	0.97	1.0
Compound_422	N#CC(C(=C)C)(Cc1ccccc1)C#N	0.93	1.0
Compound_423	N#CC(C1CCCCC1C)(C1CCCCC1)C#N	0.56	1.0
Compound_424	CC=Cc1ccccc1	0.96	1.0
Compound_425	CCCC(OCCCC)OCCCC	0.97	1.0
Compound_426	O=C1CCC2(C1(C)CCc1c2cccc1)C	0.69	1.0
Compound_427	CCCCCCC=CCCC	0.94	1.0
Compound_428	CC1C2CCCC1CCC2	0.76	1.0
Compound_429	c1ccc(cc1)CCC=Cc1ccccc1	0.89	1.0
Compound_430	CC[C@@H]1CCC[C@@H]1C	0.88	1.0
Compound_431	CC1CCCC(C1C)(C)C	0.96	1.0
Compound_432	C[C@@H]1C[C@@H](C)CC(C1)(C)C	0.96	1.0
Compound_433	COC1(OC)CCCCC1	0.9	1.0
Compound_434	CCC1CCCCCCC1	0.98	1.0
Compound_435	CC1CCC(C=C1)C(C)C	0.61	1.0
Compound_436	c1ccc(nc1)Sc1ccccn1	0.79	1.0
Compound_437	CCCCCCCCCCCCOCCOCCOC(=O)C	0.95	1.0
Compound_438	CCCCCCC=CCCCCC	0.94	1.0
Compound_439	CCC(CC(O)C)C	0.45	0.0
Compound_440	CC1=CC[C@]23C[C@H]1C(C)(C)[C@@H]2CC[C@H]3C	0.89	1.0
Compound_441	CC1CCCCCCCCC1	0.99	1.0
Compound_442	CC(CC1CCCCC1)(O)C	0.47	0.0
Compound_443	C[C@H]1CC[C@@](C1(C)C)(C)C(=O)C	0.81	1.0
Compound_444	CO[Si]12OCCN(CCO1)CCO2	0.24	0.0
Compound_445	CCCCCC(CCCCC)N	0.6	1.0
Compound_446	CCCCCCCC(CCCCCC)O	0.89	1.0
Compound_447	CC(C1(C)CCCCC1)C	0.95	1.0
Compound_448	CCC1CCCCCCC1CC	0.98	1.0
Compound_449	CC(=C1C(C1(C)C)(C)C)C	0.8	1.0
Compound_450	CC(=O)C1(C)CCCCC1	0.75	1.0
Compound_451	CC1CCC2C1C1C(C1(C)C)CCC2C	0.91	1.0
Compound_452	NC1C=CC2(C(C1)CCCC2)C	0.14	0.0
Compound_453	CCCC(CCCC(CC)C)C	0.99	1.0
Compound_454	O=CC1(C)CCC(=C(C1)C)C	0.26	0.0
Compound_455	CCCCCCCCCCCC#CC=CCC	0.87	1.0
Compound_456	CCCCCCCCCC#CC=CCCC	0.86	1.0
Compound_457	OCC12CCCCC2CCCC1	0.67	1.0
Compound_458	CCCCCCC(CCCCC)O	0.89	1.0
Compound_459	COC(=O)CCCCC=CCCCCCCC1CCC=C1	0.94	1.0
Compound_460	C=CC1C2C1(C)COC2(C)C	0.77	1.0
Compound_461	C[C@@H]1CC[C@@H]2C[C@H]1C2(C)C	0.96	1.0
Compound_462	C[C@H]1CC[C@H]2[C@@H](C1)C2(C)C	0.92	1.0
Compound_463	CC(=C1C2C1CCCCCC2)C	0.67	1.0
Compound_464	CC[C@@H]1CCCC[C@H]1CC1CCCCC1	0.83	1.0
Compound_465	CCCC1CCCC(C1)C	0.9	1.0
Compound_466	CCCC(C1CCC(CC1)C)C	0.98	1.0
Compound_467	CCC(C1CCCCCCC1)C	0.98	1.0
Compound_468	C=CC[C@@H]1CCC[C@H]1C	0.89	1.0
Compound_469	C=CCCCCCCCCCN(=O)=O	0.86	1.0
Compound_470	CCCCCCCCCCCC(C)C	0.99	1.0
Compound_471	CCCCCCCCC=CCCCCCCCC	0.94	1.0
Compound_472	CCCCCC(CCC=C)C	0.95	1.0
Compound_473	C=CCCCC(CC)C	0.84	1.0
Compound_474	CC=C(CC(C)C)C	0.39	0.0
Compound_475	CCCCCCCCCC=CCC	0.93	1.0
Compound_476	CCC(CC(C(C)(C)C)C)CC	0.98	1.0
Compound_477	CCCCCCCCCCOP(OCCCCCCCCCC)[O-]	0.98	1.0
Compound_478	CC(=O)C1CCCC1(C)C	0.88	1.0
Compound_479	CCCNNCCC	0.49	0.0
Compound_480	CCCCC(COC(=O)c1cccc(c1)C)CC	0.94	1.0
Compound_481	COC(=O)C(CCCC(CCCC(CCCC(C)C)C)C)C	0.83	1.0
Compound_482	O=C(C(C)(C)C)c1ccc(cc1)C(C)(C)C	0.99	1.0
Compound_483	C1C2CC3C4C1C1C(C2)C3CC(C1)C4	0.97	1.0
Compound_484	CCCCCCCC(=O)Oc1ccccc1	0.97	1.0
Compound_485	C#CCCCCCCCCCCC(=O)OC	0.95	1.0
Compound_486	CC#CCC#CCCCCCCCCCCCC(=O)OC	0.91	1.0
Compound_487	C#CCCCCCCCCCCCC(=O)OC	0.95	1.0
Compound_488	OC(C(C(C)C)O)C(C)C	0.4	0.0
Compound_489	CCCCCC(CCCC(C)C)C	0.99	1.0
Compound_490	CCCCC1C(C)CCCC1(C)C	0.96	1.0
Compound_491	C=CCC(C(C)C)O	0.7	1.0
Compound_492	CCCCCCC1C=CC(C1)(C)C	0.96	1.0
Compound_493	CCC1CC1CC1CC1CC1CC1C(=O)OC	0.84	1.0
Compound_494	CC(COC(=O)Oc1ccccc1)C	0.85	1.0
Compound_495	C#CCCCCCCCCC(=O)OC	0.95	1.0
Compound_496	CC(CCCC(C(C)C)C)C	0.92	1.0
Compound_497	C=C1CC[C@@H]2[C@H]([C@@H]3[C@H]1CC[C@]3(C)O)C2(C)C	0.08	0.0
Compound_498	C=C[C@]1(C)CC[C@H](C[C@H]1C(=C)C)C(=C)C	0.89	1.0
Compound_499	CCCCCOCC=C	0.97	1.0
Compound_500	CCCCCCCC(=O)C(=O)OC	0.68	1.0
Compound_501	CCC(OC(=O)C(CC(C(=O)OC(CC)C)C)C)C	0.81	1.0
Compound_502	CC(CCC#CC(C)(C)C)C	0.78	1.0
Compound_503	CC1CCCC(C)C=CC(=C(C)C)CC1	0.73	1.0
Compound_504	CCCCC=C/C=C/CCCCCC=C	0.89	1.0
Compound_505	CCCCC1CCC2C(C1)CCCC2	0.94	1.0
Compound_506	CCCCC=CC(CCCC)C=C	0.91	1.0
Compound_507	C=CCCCCC1CC1I	1.0	1.0
Compound_508	OC1C2CCC1C1C2CC=C1	0.96	1.0
Compound_509	CC(CCC(C)C)CCCC(C)C	0.96	1.0
Compound_510	CCCCCC(CC=CC)C	0.95	1.0
Compound_511	CCCC(CC(CC)C)C	0.99	1.0
Compound_512	CC(CCC(C(C)C)C)C	0.78	1.0
Compound_513	CC(C(CC(C)(C)C)(C)C)(CC(C)(C)C)C	0.99	1.0
Compound_514	CCCCC(CC(C)(C)C)(C)C	0.99	1.0
Compound_515	CCCCCCC(C)(C)C	0.99	1.0
Compound_516	COc1ccccc1C(=O)OC1CCCCC1	0.95	1.0
Compound_517	CCCCC=C/C=C/CCCCCCCCC=C	0.96	1.0
Compound_518	CC1CCC(C(=O)C1)C(=C)C	0.34	0.0
Compound_519	CC1CCC(=C(C)C)CC1	0.23	0.0
Compound_520	C=C[C@@]1(C)CCC(=C(C)C)C[C@@H]1C(=C)C	0.87	1.0
Compound_521	CCC(OC(=O)c1cccc(c1)C)C	0.92	1.0
Compound_522	CCCCCCCCNC=O	0.96	1.0
Compound_523	CCCCC(CC=C)C	0.84	1.0
Compound_524	NC(=O)c1ccc(cc1)C(C)(C)C	0.8	1.0
Compound_525	CCCCCCC=CCCCC	0.94	1.0
Compound_526	OC(=O)Oc1ccccc1CC(C)(C)C	0.29	0.0
Compound_527	CCCCC(COC(=O)C1CC1)CC	0.94	1.0
Compound_528	CCCCCCCN=C=O	0.75	1.0
Compound_529	CCCCCCCCCCC(CC)C	0.99	1.0
Compound_530	CCCCC(C(O)C)C	0.37	0.0
Compound_531	CC(C(C(=O)O)(C(C)C)C)C	0.68	1.0
Compound_532	CCCCCCC(=C)C(C)C	0.87	1.0
Compound_533	CCCCCCC1CCC(C1)C	0.96	1.0
Compound_534	OCC[C@H](CCCC(C)C)C	0.91	1.0
Compound_535	CC(=C1C=NNC1(C)C)C	0.49	0.0
Compound_536	CCCCOC(=O)c1ccccc1C(=O)OC	0.75	1.0
Compound_537	ClCC(=O)OC1CCCCC1	0.89	1.0
Compound_538	CCC(CCC(=C)CC)C	0.95	1.0
Compound_539	CCCOc1nn(c(=O)n1C)C(=O)[N-]S(=O)(=O)c1ccccc1C(=O)OC	0.26	0.0
Compound_540	FC(C(C(C(C(C(S(=O)(=O)[O-])(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.98	1.0
Compound_541	O=[Si]=O	0.83	1.0
Compound_542	C([2H])(C(C(c1ccccc1)([2H])[2H])(N)[2H])([2H])[2H]	0.06	0.0
Compound_543	CCSC(CC1CC(=O)C(=C(NOCC=CCl)CC)C(=O)C1)C	0.61	1.0
Compound_544	N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@@H](C1(C)C)C=C(C(F)(F)F)Cl	0.96	1.0
Compound_545	COC=C([C@H]1CC2N(C[C@H]1CC)CCc1c2[nH]c2c1c(OC)ccc2)C(=O)OC	0.09	0.0
Compound_546	OCC(=O)[C@@]1(O)CCC2C1(C)CC(=O)C1C2CCC2C1(C)CC[C@H](C2)O	0.19	0.0
Compound_547	OC(=O)C(OP(=O)(O)O)COP(=O)(O)O	0.07	0.0
Compound_548	OC(=O)C=CC=CC(=O)O	0.21	0.0
Compound_549	CC(C(=O)O)NC(=O)C(N)C	0.02	0.0
Compound_550	NC(=O)CCC(C(=O)O)N	0.01	0.0
Compound_551	O=C1NC(=O)NC(C1)C(=O)O	0.04	0.0
Compound_552	OC1C(O)COC1=O	0.27	0.0
Compound_553	CC(=O)NCCCCC(C(=O)O)N	0.01	0.0
Compound_554	CC(C(=O)c1ccccc1)N	0.44	0.0
Compound_555	CC(Cc1ccccc1)NCC#C	0.05	0.0
Compound_556	O=CC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C	0.96	1.0
Compound_557	CC(N(CC#C)C)Cc1ccccc1	0.01	0.0
Compound_558	CCCc1nn(c2c1[nH]c(nc2=S)c1cc(ccc1OCC)S(=O)(=O)N1CC(C)NC(C1)C)C	0.1	0.0
Compound_559	C/C=C/1\N(C)C(CC1(c1ccccc1)c1ccccc1)C	0.05	0.0
Compound_560	OC(=O)C1=CC=CC1[Fe]C1C=CC=C1C(=O)O	0.24	0.0
Compound_561	O=C(c1ccccc1)OC1CC2CCC(C1C(=O)O)N2	0.0	0.0
Compound_562	OCC(=O)C(C(COP(=O)(O)O)O)O	0.03	0.0
Compound_563	OCC(C(C(C(C(=O)O)O)O)O)O	0.03	0.0
Compound_564	OCC1OC(OP(=O)(OP(=O)(OCC2OC(C(C2O)O)n2cnc3c2[nH]c(N)nc3=O)O)O)C(C(C1O)O)O	0.0	0.0
Compound_565	CCC(C(=O)O)N	0.03	0.0
Compound_566	OCC1OC(O)C(C(C1O)O)N	0.04	0.0
Compound_567	C[Se]CC(C(=O)O)N	0.01	0.0
Compound_568	CCC(C(=O)O)N	0.03	0.0
Compound_569	CC(OC(=O)NC(C(=O)NC(c1nc2c(s1)cc(cc2)F)C)C(C)C)C	0.23	0.0
Compound_570	BrC=C(c1ccc(cc1Cl)Cl)OP(=O)(OC)OC	0.25	0.0
Compound_571	CON=C(c1csc(n1)N)C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nc(=O)c(=O)[nH]n1C	0.0	0.0
Compound_572	CCC(=O)N(C1CCN(CC1C)CCc1ccccc1)c1ccccc1	0.05	0.0
Compound_573	CNC1(CCCCC1=O)c1ccccc1Cl	0.08	0.0
Compound_574	OCC(CN1CCN(CC1)c1ccccc1)O	0.0	0.0
Compound_575	CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC	0.01	0.0
Compound_576	CC(C(=O)c1ccccc1)N	0.44	0.0
Compound_577	OCC(c1ccccc1)C(=O)OC1CC2C3C(C(C1)[N+]2(C)C)O3	0.0	0.0
Compound_578	CC(CO)N	0.17	0.0
Compound_579	OCC1OC(O)C(C(C1O)O)NC(=O)C	0.02	0.0
Compound_580	OCC1C(O)CCN1c1ncc(c(c1)c1ccc(cc1C)F)N(C(=O)C(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(C)C)C	0.01	0.0
Compound_581	c1ccc(cc1)[As+](c1ccccc1)(c1ccccc1)c1ccccc1	0.97	1.0
Compound_582	CN(C=CC(=O)c1cccnc1)C	0.05	0.0
Compound_583	CCCCCC(C=CC1C(O)CC2C1CC(O2)CCCCC(=O)O)O	0.25	0.0
Compound_584	CCCCCC(C=CC1C(O)CC(C1CC=CCCCC(=O)O)O)O	0.29	0.0
Compound_585	OC(=O)CCCC=CCC1C(O)CC(C1C=CC(C1Cc2c(C1)cccc2)O)F	0.14	0.0
Compound_586	CCCCCC(C=CC1CCC(C1CCCCCCC(=O)O)O)O	0.2	0.0
Compound_587	OC(=O)CCCC=CCC1C(O)CC(C1C=CC(COc1cccc(c1)Cl)O)O	0.42	0.0
Compound_588	CCCCCCC(c1ccc(c(c1)O)C1CCCC(C1)O)(C)C	0.4	0.0
Compound_589	O=C(CC1Sc2ccccc2NC1=O)NNC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F	0.13	0.0
Compound_590	C1CCC(CC1)N1CCN(CC1)C(c1ccccc1)Cc1ccccc1	0.03	0.0
Compound_591	C1CCC(CC1)N1CCN(CC1)C(c1ccccc1)Cc1ccccc1	0.03	0.0
Compound_592	C=CC(=O)OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(O)C)C)C)C)C)C)C)C)C)C)C)C)C)C	0.64	1.0
Compound_593	C=CC(=O)OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(O)C)C)C)C)C)C)C)C)C)C)C)C	0.64	1.0
Compound_594	CCCCC(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)C(CCCC)CC)CC	0.59	1.0
Compound_595	CCCCC(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)C(CCCC)CC)CC	0.59	1.0
Compound_596	C=CC(=O)OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(O)C)C)C)C)C)C)C)C)C)C	0.64	1.0
Compound_597	CCCCC(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)C(CCCC)CC)CC	0.59	1.0
Compound_598	CCCCC(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)C(CCCC)CC)CC	0.59	1.0
Compound_599	CCCCCCCC/C=C/CCCCCCCCCC(=O)OCCOCCOCCOCCOCCOCCOCCO	0.92	1.0
Compound_600	CCCCCCCCC=CCCCCCCCC(=O)OCCOCCOCCO	0.91	1.0
Compound_601	OC(=O)C1NCc2c(C1)cccc2	0.0	0.0
Compound_602	CNC(C(c1ccccc1)Cl)C	0.87	1.0
Compound_603	CCCCCCCC(c1ccc(c(c1)O)C1CCCC(C1)O)(C)C	0.4	0.0
Compound_604	Oc1ccc(cc1)C1COc2c(C1)ccc(c2)O	0.99	1.0
Compound_605	Oc1ccc(cc1)C=Cc1cc(O)cc(c1)O	0.99	1.0
Compound_606	CC=CCC(C(C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)O)C	0.67	1.0
Compound_607	CCCCCCC(c1ccc(c(c1)O)C1CCCC(C1)O)(C)C	0.4	0.0
Compound_608	COc1ccc(cc1O)C1CC(=O)c2c(O1)cc(cc2O)O	0.97	1.0
Compound_609	CN(c1ccc(cc1)C(=O)NNC(=S)NC1CC2CC1C=C2)C	0.28	0.0
Compound_610	C=CCN1C(=S)SC(=C2c3ccccc3N(C2=O)CC(=O)O)C1=O	0.02	0.0
Compound_611	COCCCNC(=S)NNC(=S)Nc1cccc(c1)Cl	0.26	0.0
Compound_612	COCCCNC1=NC(=O)C(S1)CC(=O)Nc1ccc(cc1)Cl	0.09	0.0
Compound_613	CCCCCC=CCCCCCCCCCCC(=O)OC	0.93	1.0
Compound_614	ONC(=NCCCN(C)C)c1ccc(cc1Cl)Cl	0.05	0.0
Compound_615	O=N(=O)c1cccnc1NCCCn1cncc1	0.44	0.0
Compound_616	S=C(N1CCSCC1)SCC(=O)C	0.29	0.0
Compound_617	N#Cc1c(Cl)cccc1N(NS(=O)(=O)c1cc(C)c(c(c1)C)F)C	0.7	1.0
Compound_618	Clc1sc(c(c1)S(=O)(=O)Nc1c(C)nn(c1C)C)Cl	0.7	1.0
Compound_619	CCCCCC=CCC=CCCCCCCCC(=O)NCCCCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2	0.13	0.0
Compound_620	CC(c1nn2c(c1)ncn1c2=NCC1)(C)C	0.09	0.0
Compound_621	CCCCCCCCC=CCCCCCCCC(=O)Nc1ccccc1	0.83	1.0
Compound_622	Clc1ccc(c(c1)Cl)NC(=S)N1CCCC1c1cccs1	0.32	0.0
Compound_623	Clc1ccc(cc1)SC/C(=N/NC(=O)c1cccn1C)/N	0.04	0.0
Compound_624	N#C/C(=C\N(C)C)/C(=O)NOCc1c(F)cccc1Cl	0.12	0.0
Compound_625	FC(COc1ccc(cc1S(=O)(=O)NCc1ccccn1)OCC(F)(F)F)(F)F	0.15	0.0
Compound_626	COC(CNC(=O)C(=O)Nc1cccc(c1)C(F)(F)F)OC	0.01	0.0
Compound_627	O=C(C1CC1)Nc1ccc(cc1)c1ocnc1	0.13	0.0
Compound_628	CCCCCCCCC=CCCCCCCCC(=O)NCCCCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2	0.13	0.0
Compound_629	CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)OC	0.84	1.0
Compound_630	CCCCCCCCCCCCCCCCCCCCCCC(=O)OCC	0.95	1.0
Compound_631	CCCCCCCCCCCCCCCCNc1ccc(cc1)C(=O)O	0.07	0.0
Compound_632	CCCCCC=CCC(=CCCCCCCCC(=O)O)N(=O)=O	0.25	0.0
Compound_633	CCCCCCCCC=CCCCCCC(=O)O	0.59	1.0
Compound_634	CC(CCOc1ccc(cc1)N)C	0.92	1.0
Compound_635	Cc1nn(c(=N)s1)Cc1ccccc1Cl	0.4	0.0
Compound_636	CC1CCCN(C1)c1ccc2n(n1)cnn2	0.02	0.0
Compound_637	CCCc1n(C)ncc1C(=O)Nc1ccc(cc1)Cl	0.73	1.0
Compound_638	Fc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1coc2c(c1=O)cccc2	0.15	0.0
Compound_639	CCCCCC=CCC(/C=C/C=CCC=CCCCC(=O)O)OO	0.28	0.0
Compound_640	O=C(c1cccs1)N1CCN(CC1)C(c1ccccc1)c1ccccc1	0.01	0.0
Compound_641	COc1ccc(cc1)CN(S(=O)(=O)c1ccc(cc1)C)Cc1cccn1C	0.7	1.0
Compound_642	O=C(NC1CCCCC1)NCCCCCCCCCCCC(=O)O	0.13	0.0
Compound_643	O=C(Nc1ccc(cc1)C(=O)C)CN1CCN(CC1)CC(=O)Nc1ccc(cc1)C(=O)C	0.0	0.0
Compound_644	Clc1ccc(cc1)c1oc(c(c1)C(=O)NCc1cccnc1)C(F)(F)F	0.28	0.0
Compound_645	COc1cc(CCNC(=O)c2cc3c(s2)cccc3)ccc1OC	0.45	0.0
Compound_646	CC(=O)Nc1ccc(cc1Cl)S(=O)(=O)Nc1ccc(cc1)c1csc(n1)C	0.88	1.0
Compound_647	Cc1cnc(c(n1)C)NC(=O)c1cc(sc1Cl)Cl	0.66	1.0
Compound_648	COC(=O)c1cnc(nc1C(F)(F)F)N1CCCN(CC1)C(=O)NC1CCCCC1	0.0	0.0
Compound_649	COC(=O)c1ccc(n1C)S(=O)(=O)NNc1c(Cl)cncc1Cl	0.15	0.0
Compound_650	CCCCCC=CCC=CCC=CCCCCC(=O)Oc1ccc2c(c1)oc(=O)cc2	0.93	1.0
Compound_651	CCCc1c(cnn1c1ccccc1)C(=O)N1CCN(CC1)c1ccccc1OC	0.04	0.0
Compound_652	OCCCCCCC/C=C/C(=O)O	0.47	0.0
Compound_653	OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(C2)CC(C1)C3	0.05	0.0
Compound_654	Clc1cc(cc(c1)Cl)Oc1ccc(o1)C(=O)Nc1ccc2c(c1)OCCO2	0.12	0.0
Compound_655	COC(=O)C1=C(C)NC2=C(C1c1cn[nH]c1c1cccs1)C(=O)CC(C2)(C)C	0.09	0.0
Compound_656	CCCCCCCCCCCCC/C=C/C(=O)O	0.87	1.0
Compound_657	CCCCNC(=O)Nc1cc(nn1C)C(C)(C)C	0.08	0.0
Compound_658	CCCCCCCCCCCCCC=CC(=O)O	0.87	1.0
Compound_659	Cn1nc(cc1NC(=O)CCCC(=O)O)C	0.01	0.0
Compound_660	CCc1ccnc(c1)NC(=O)Nc1c(Br)cc(cc1Br)C(C)C	0.59	1.0
Compound_661	CCCc1c(cnn1c1ccccc1)C(=O)NNc1ccccc1OC	0.05	0.0
Compound_662	O=C(c1nccnc1C(=O)O)Nc1c(C)n(n(c1=O)c1ccccc1)C	0.02	0.0
Compound_663	N#CCCN(C(=O)NS(=O)(=O)c1ccc(cc1)C)Cc1ccccc1	0.04	0.0
Compound_664	CCOC(=O)C1CCN(CC1)C(=O)c1sccc1Cl	0.27	0.0
Compound_665	O=C(NCc1ccc2c(c1)OCO2)CCc1onc(n1)c1ccccn1	0.03	0.0
Compound_666	Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc1ccccc1N1CCCCC1	0.02	0.0
Compound_667	CCCCCCCC/C=C(/N(=O)=O)\CCCCCCCC(=O)O	0.12	0.0
Compound_668	CCOC(=O)Cn1cnc2c(c1=O)nnn2Cc1ccc(cc1)F	0.01	0.0
Compound_669	CCCCCCCC=CC(=O)O	0.86	1.0
Compound_670	O=C(N1CCN(CC1)C1c2ccccc2c2c1cccc2)NCCc1cccs1	0.02	0.0
Compound_671	COC(=O)c1ccc(o1)COc1ccc(cc1)NC(=O)C	0.16	0.0
Compound_672	O=C(c1ccc2c(c1)OCCCO2)CSc1n[nH]c(=O)n1Cc1ccco1	0.02	0.0
Compound_673	O=C(c1sc(nc1c1ccccc1)Nc1ccccc1)c1ccc2c(c1)OCCO2	0.55	1.0
Compound_674	OC(=O)CCC(=O)N1CCN(CC1)C1c2ccccc2c2c1cccc2	0.0	0.0
Compound_675	COc1ccc(cc1)Cn1cnc2c1c(=O)n(C)c(=O)n2C	0.01	0.0
Compound_676	C#CCCCCCCCCCCCC(=O)O	0.68	1.0
Compound_677	N#Cc1c(C)cc(n2c1nc1c2cccc1)N1CCOCC1	0.01	0.0
Compound_678	Cc1nn(nc1C(=O)N1CCCc2c1cccc2)c1ccccc1	0.07	0.0
Compound_679	CCOC(=O)N1CCC(CC1)NC(=O)c1sc2c(c1Cl)cccc2	0.29	0.0
Compound_680	COc1cccc(c1)CC(=O)NNC(=O)c1ccc(s1)c1cccs1	0.23	0.0
Compound_681	C=CCc1cccc(c1O)C(=O)O	0.64	1.0
Compound_682	Brc1ccc(cc1)C(=O)CSc1cc(nc2n1ncn2)c1ccccc1	0.67	1.0
Compound_683	O=c1cc(c2ccccc2)n2c(n1)n(nc2C(=O)c1cccs1)c1ccccc1	0.03	0.0
Compound_684	CSc1nnc(n1Cc1ccccc1)c1sc2c(c1N)c(C)cc(n2)C	0.26	0.0
Compound_685	Clc1ccc(cc1)C(=O)CSc1nnc(n1c1ccccc1)Cn1nnc2c1cccc2	0.58	1.0
Compound_686	CNC(=O)NC(=O)CSc1nnc(o1)c1ccc(cc1)Cl	0.37	0.0
Compound_687	CCC=CCC=CCC(/C=C/C=CCC=CCC=CCCC(=O)O)O	0.23	0.0
Compound_688	c1ccc2c(c1)SCc1n2c(nn1)c1cccs1	0.39	0.0
Compound_689	Clc1ccc(cc1)c1cn(c(=S)[nH]1)c1ccccc1	0.12	0.0
Compound_690	COc1ccc(cc1)n1c(CSc2nc(cn2c2ccc(cc2)C)c2cccs2)n[nH]c1=S	0.1	0.0
Compound_691	O=C(CN1CCc2c1cccc2)Nc1nnc(s1)c1cccs1	0.05	0.0
Compound_692	COC(=O)c1ccccc1S(=O)(=O)Cc1ccc(c(c1)OC)OC	0.83	1.0
Compound_693	c1ccc(cc1)OC1CN(C1)C(c1ccccc1)c1ccccc1	0.03	0.0
Compound_694	CCCCCCCCC(=CCCCCCCCC(=O)O)N(=O)=O	0.24	0.0
Compound_695	CC(=O)C1C(=O)c2c(C1=O)c(ccc2)N(=O)=O	0.88	1.0
Compound_696	CCOC(=O)C(C(F)(F)F)(NC(=O)c1ccccc1Cl)Nc1ccccn1	0.05	0.0
Compound_697	COc1cc(cc(c1OC)OC)C(=O)NC(c1ccccc1)C	0.79	1.0
Compound_698	CC(CC(C(=O)N)NC(=O)OC(C)(C)C)C	0.12	0.0
Compound_699	CCc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C#N	0.42	0.0
Compound_700	S=C(NN1C2CSC1CS2)NCCc1ccccn1	0.27	0.0
Compound_701	CSc1n[nH]c(c1S(=O)(=O)c1ccc(cc1)Cl)N	0.8	1.0
Compound_702	CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCC(CF)O	0.47	0.0
Compound_703	O=C(Nc1scc(c1C)S(=O)(=O)c1ccc(cc1)Cl)Nc1onc(c1)C	0.28	0.0
Compound_704	NNC(=O)c1sc(c(c1)S(=O)(=O)C(C)C)SC	0.51	1.0
Compound_705	Cn1c(nnc1CSc1cccs1)SCc1ccccc1	0.23	0.0
Compound_706	O=C(C1=C(O)c2c(C)c(sc2N(S1(=O)=O)C)C)Nc1ccccc1	0.3	0.0
Compound_707	CSc1nnc(s1)SCCS(=O)(=O)c1ccc(cc1)Cl	0.87	1.0
Compound_708	O=C(NCc1ccncc1)CSCCOc1ccccc1	0.05	0.0
Compound_709	CCC=CC[C@@H](/C=C/C=CCC=CC=C[C@H](CCCCCC(=O)O)O)O	0.14	0.0
Compound_710	CN(c1ccc2c(c1N(=O)=O)nsn2)C	0.74	1.0
Compound_711	O=C(n1ccc(n1)c1ccc(s1)C#Cc1ccccc1)c1cccs1	0.55	1.0
Compound_712	N#C/C(=C\c1cnc[nH]1)/S(=O)(=O)c1cccs1	0.37	0.0
Compound_713	O=C(N1CCOCC1)Nc1cncc(c1)C#Cc1ccccc1	0.12	0.0
Compound_714	N#N=NCCCCCC(=O)O	0.35	0.0
Compound_715	Clc1cc(cnc1N1CCN(CC1)c1cc(nc2c1cccc2)C(F)(F)F)C(F)(F)F	0.23	0.0
Compound_716	N#C/C(=C\N1CCN(CC1)c1ccccc1)/C(=O)NC(=O)C	0.01	0.0
Compound_717	COc1ccc(cc1OC1CCCC1)C(=NOC(=O)c1ccc(cc1)Cl)N	0.02	0.0
Compound_718	O=C(Nc1ccc(cc1)C(C)C)CSc1nccc(n1)c1ccco1	0.24	0.0
Compound_719	ONC(=O)c1csc(n1)c1cccnc1	0.32	0.0
Compound_720	O=c1nc([nH][nH]1)N1CCSCC1	0.02	0.0
Compound_721	O=C(NNC(=O)c1ccco1)CCCCCCCCC(=O)NNC(=O)c1ccco1	0.04	0.0
Compound_722	CNC(=O)c1ccccc1I	0.66	1.0
Compound_723	O=C(c1ccccc1)OC(c1nccc2c1cccc2)C(C)C	0.82	1.0
Compound_724	CCOC(=O)C(c1ccccc1)C(=O)Cc1ccccc1	0.89	1.0
Compound_725	O=C1/C(=C/c2ccc(cc2)N(=O)=O)/N=C2N1CCCS2	0.07	0.0
Compound_726	Clc1ccc(cc1)n1nnnc1c1cnn(c1C)c1ccccc1	0.9	1.0
Compound_727	N#CC(=C(SC)SC)c1ccccn1	0.81	1.0
Compound_728	O=C1OC(=NC1=Cc1ccccc1Cl)/C=C/c1ccccc1	0.17	0.0
Compound_729	CCCCCCCCCCCSCC(=O)O	0.91	1.0
Compound_730	O=C1C(=O)C(=C1N1CCCC1)N1CCOCC1	0.01	0.0
Compound_731	S=C(Nc1c(C)cc(cc1C)C)NCCNCc1ccccc1	0.07	0.0
Compound_732	CCCCCCCCCCCCCCC(C(=O)O)F	0.79	1.0
Compound_733	COCCCNC(=S)Nc1cccc(c1)SC	0.21	0.0
Compound_734	CCCCCCCCCCCCCCCC(=O)NC[C@H](O)C	0.19	0.0
Compound_735	COc1cccc(c1C(=O)NC(CC(C)(C)C)(C)C)OC	0.69	1.0
Compound_736	Clc1ccc(cc1)c1[nH]c(nc(=O)n1)c1ccc(cc1)Cl	0.08	0.0
Compound_737	CCN(C(=O)c1cnc(cc1C(F)(F)F)OC)c1ccc(cc1Cl)Cl	0.55	1.0
Compound_738	ONC(=Nc1ccc(cc1)C(F)(F)F)c1c(F)cccc1F	0.19	0.0
Compound_739	CCCCc1ccc(c(c1)C)NC(=O)CSc1nnc(s1)NC(=O)c1cccs1	0.42	0.0
Compound_740	O=C(c1cccs1)CC(c1ccccc1)C(=O)O	0.21	0.0
Compound_741	CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)C	0.64	1.0
Compound_742	N#CCC(=O)NNC(=S)NCC1CCCO1	0.13	0.0
Compound_743	c1ccc(nc1)SCc1cccc(n1)CSc1ccccn1	0.81	1.0
Compound_744	CN1CCN(CC1)c1c2ccccc2nc2c1C1CCC2(C1(C)C)C	0.02	0.0
Compound_745	CCOC(=O)c1c(NC=C2C=C(Br)C(=CC2=O)Br)sc2c1CCCC2	0.56	1.0
Compound_746	CSc1ccccc1Nc1ncnc(n1)N	0.45	0.0
Compound_747	O=C(N(C)C)Oc1cc(C)nc(n1)c1ccc(c(c1)Cl)C	0.31	0.0
Compound_748	Clc1ccc(cc1)N1C(=S)NC(C=C1C)(C)C	0.33	0.0
Compound_749	NC(=N)SCc1ccc(cc1)C	0.33	0.0
Compound_750	O=C(NCC1(C)CCCC2(C1CCc1c2ccc(c1)C(C)C)C)/C=C/C(=O)O	0.03	0.0
Compound_751	C=CCNC1=NC(=O)C(S1)CC(=O)Nc1ccccc1	0.26	0.0
Compound_752	N#CC(c1ccccc1)Nc1ccc(cc1)C(F)(F)F	0.5	0.0
Compound_753	Cc1ccc(cc1)C(=O)NC1(NCCc2ccc(cc2)Cl)C(=O)c2c(C1=O)cccc2	0.0	0.0
Compound_754	Cc1onc(c1CNS(=O)(=O)c1c(Cl)nc2n1ccs2)c1ccccc1	0.23	0.0
Compound_755	O=S(=O)(c1ccc(nc1)N1CCOCC1)NCC1CCCO1	0.03	0.0
Compound_756	Clc1ccc(cc1)Oc1ncccc1C(=O)Nc1ccc2c(c1)nccn2	0.85	1.0
Compound_757	CSc1snc(c1C(=O)NC(=O)Nc1noc(c1)C)SC	0.06	0.0
Compound_758	S=C(NN1C2CSC1CS2)NC1CC2CC1CC2	0.43	0.0
Compound_759	CCOC(=O)N/N=C(/c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F)\C	0.15	0.0
Compound_760	OC(=O)CSCC(=O)N(Cc1cccs1)Cc1ccccc1	0.07	0.0
Compound_761	COC(=O)Cc1nc(sc1C)Nc1ccccc1	0.21	0.0
Compound_762	COc1cc(cc(c1C(=O)NCc1cccs1)C(F)(F)F)C(F)(F)F	0.09	0.0
Compound_763	OC(=O)CC(CCCCCCCCCCC(CC(=O)O)(C)C)(C)C	0.07	0.0
Compound_764	COc1ccc(cc1)C(=O)NNC(=O)c1c(OC)cc(cc1C(F)(F)F)C(F)(F)F	0.25	0.0
Compound_765	CCC=CCC(/C=C/C=CCCCCCCCC(=O)O)OO	0.42	0.0
Compound_766	COCCCNC(=S)NNC(=O)c1c(OC)cc(cc1C(F)(F)F)C(F)(F)F	0.14	0.0
Compound_767	O=C(Nc1ccc(cc1)C(F)(F)F)Nc1ccc(nc1)N1CCN(CC1)c1ncccc1C(F)(F)F	0.02	0.0
Compound_768	O=C(NCc1ccco1)/C=C/c1ccc(cc1)OC(F)(F)F	0.08	0.0
Compound_769	CC(Cc1ccc(cc1)C(C(=O)NNC(=O)c1ccccc1Cl)C)C	0.78	1.0
Compound_770	CCOC(=O)Cc1nn(Cc2scc(n2)c2ccc(cc2)C)c(=O)c2c1cccc2	0.06	0.0
Compound_771	O=C(c1cc(n(c1C)CCCN1CCOCC1)c1ccccc1)Nc1ccccc1	0.03	0.0
Compound_772	CCCCCC=CCC=CCC=CCC=CCCCC(=O)Oc1ccc2c(c1)oc(=O)cc2	0.73	1.0
Compound_773	COc1ccc2c(c1)cc([nH]2)C(=O)NCc1ccccc1	0.19	0.0
Compound_774	Clc1cccc(c1CSc1n[nH]c(n1)N)Cl	0.77	1.0
Compound_775	O=C(c1n[nH]c(c1)C(C)(C)C)N/N=C/c1ccc(s1)N(=O)=O	0.51	1.0
Compound_776	Clc1ccc(cc1)C(=O)NNC(=O)c1csc(n1)c1cccs1	0.65	1.0
Compound_777	O=C(Nc1sc(nc1C)c1cccs1)Nc1ccc(cc1)Cl	0.83	1.0
Compound_778	O=C(Nc1cc(Cl)cc(c1)Cl)CSc1ncc(n1C)c1ccc(cc1)Cl	0.37	0.0
Compound_779	O=C(Nc1ccc(cc1)C(C)C)CSc1ncnc(n1)N	0.55	1.0
Compound_780	CCCCCCC(=O)CCCCCC/C=C/C[C@H]([C@@H]([C@](C(=O)O)(CO)N)O)O	0.01	0.0
Compound_781	COCCCn1c(=S)[nH]nc1c1cc(nn1CC)C	0.06	0.0
Compound_782	CCCCCC=CCC=CCC=CCCCCCCC(=O)OCC	0.87	1.0
Compound_783	CCn1c(=S)[nH]c2c1ccc(c2)Cl	0.2	0.0
Compound_784	CC(NC(=O)O/N=C(\CSc1nccn1C)/N)C	0.03	0.0
Compound_785	CSc1nnc(s1)SCc1csc(n1)c1ccc(cc1)C(F)(F)F	0.69	1.0
Compound_786	COCc1cc(=O)nc([nH]1)c1csc(n1)C	0.03	0.0
Compound_787	O=C(Nc1ccc(cc1)C(C)C)CSc1nccc(n1)c1csc(n1)c1csc(n1)C	0.58	1.0
Compound_788	Cc1ccc(cc1)Oc1c(=O)nc([nH]c1C)C	0.06	0.0
Compound_789	O=c1cc(Nc2ccccc2Cl)[nH]c(n1)COc1ccc(cc1)C(C)(C)C	0.03	0.0
Compound_790	Clc1ccc(cc1)Sc1c(C)nn(c1C)c1ncc(cc1Cl)C(F)(F)F	0.89	1.0
Compound_791	N#Cc1c(C)cc(n(c1=O)Cc1ccc(cc1)Cl)C	0.07	0.0
Compound_792	C1Oc2c(O1)cc(cc2)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1ccc2c(c1)OCO2	0.97	1.0
Compound_793	C1Oc2c(O1)cc(cc2)O[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1ccc2c(c1)OCO2	0.93	1.0
Compound_794	N#Cc1ccc(nc1)N1CCN(CC1)C(=O)c1ccc(cc1)Cl	0.04	0.0
Compound_795	CCOC(=O)NNC(=S)Nc1ccc2c(c1)OCCO2	0.02	0.0
Compound_796	CCCCCCCCC#CCCCCCCCC(=O)c1nc2c(o1)cccn2	0.19	0.0
Compound_797	O=c1[nH]c2ccccc2c(n1)c1ccccc1	0.05	0.0
Compound_798	CC([C@@H](C(=O)O)NC(=O)c1nn(c2c1cccc2)Cc1ccc(cc1)F)C	0.08	0.0
Compound_799	COC(=O)[C@H](C(C)C)NC(=O)c1nn(c2c1cccc2)CCCCC(=O)O	0.03	0.0
Compound_800	CCCCCCCCC=CCC=CCC=CCCCC(=O)NCCO	0.75	1.0
Compound_801	CCCCCCCCC=CCC=CCC=CCCCC(=O)OC	0.91	1.0
Compound_802	CN1C2CCC1CC(C2)OC(=O)c1ccc(cc1)F	0.01	0.0
Compound_803	CCC=CCC=CCC=CCCCCCCCCCC(=O)O	0.35	0.0
Compound_804	CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OC	0.84	1.0
Compound_805	CC([C@@H](C(=O)N)NC(=O)c1nn(c(c1)c1ccc(cc1)F)CC1CCCCC1)C	0.03	0.0
Compound_806	CCCCC(=O)Nc1cccc(c1)NC(=S)NC(=O)c1ccc(c(c1)N(=O)=O)OC	0.54	1.0
Compound_807	CCCCCCCCCCCCCCCCCCCC(=O)NCC(=O)O	0.13	0.0
Compound_808	O=C(Nc1ccccc1N)Cc1cn(c(n1)CN(c1ccc(cc1)F)C)c1ccc(cc1)Cl	0.02	0.0
Compound_809	COC(=O)[C@H](C(C)(C)C)NC(=O)c1cn(c2c1cccc2)Cc1ccc(cc1)F	0.54	1.0
Compound_810	O=C(c1nn(c2c1cccc2)CC1CCOCC1)NC12CC3CC(C2)CC(C1)C3	0.08	0.0
Compound_811	FCCCCCn1nc(cc1C(=O)NC(C(C)(C)C)C(=O)N)c1ccc(cc1)F	0.03	0.0
Compound_812	ClCCCCCn1nc(c2c1cccc2)C(=O)c1cccc2c1cccc2	0.46	0.0
Compound_813	CCC=CCC=CCC=CCC=CCCCCC(=O)NCC(=O)O	0.05	0.0
Compound_814	CCCCCn1nc(c2c1cccc2)C(=O)OC12CC3CC(C2)CC(C1)C3	0.16	0.0
Compound_815	FCCCCCn1nc(c2c1cccc2)C(=O)OC12CC3CC(C2)CC(C1)C3	0.13	0.0
Compound_816	COc1cc(ccc1OC)CC(NCc1ccccc1OC)C	0.02	0.0
Compound_817	CC([C@@H](C(=O)N)NC(=O)c1cn(c2c1cccc2)Cc1ccc(cc1)F)C	0.13	0.0
Compound_818	CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)NCC(=O)O	0.06	0.0
Compound_819	CCCCCC=CCC=CCC=CCCCCC(=O)OCC	0.88	1.0
Compound_820	Fc1ccc(cc1)Cn1cc(c2c1cccc2)C(=O)O	0.05	0.0
Compound_821	C[Si](O[Si](O[Si](O[Si](C)(C)C)(C)C)(CCc1ccccc1)C)(C)C	0.67	1.0
Compound_822	CN(C1(CCCCC1)CNC(=O)c1ccccc1)C	0.1	0.0
Compound_823	O=C(c1ccc(c(c1)Cl)Cl)NCC1(CCCCC1)N1CCCCC1	0.04	0.0
Compound_824	CN1CCN(CC1)C1(CCCCC1)CNC(=O)c1ccc(c(c1)Cl)Cl	0.03	0.0
Compound_825	O=C(N(c1ccccc1)C1CCNCC1)c1ccco1	0.0	0.0
Compound_826	CCCC(=O)N(c1cccc(c1)F)C1CCN(CC1)CCc1ccccc1	0.05	0.0
Compound_827	CCCCCC/C=C/CCCCCCCC(=O)OC	0.93	1.0
Compound_828	Cc1c(C)c2c3c4c1c(=C)n(c(=C)c4c(c(c3c(=C)n(c2=C)C)C)C)C	0.1	0.0
Compound_829	CC(C(=O)c1ccc2c(c1)OCO2)NCc1ccccc1	0.67	1.0
Compound_830	CCCCCC#CCC#CCC#CCC#CCCCC(=O)O	0.15	0.0
Compound_831	O=C(Nc1cccc(c1)C[NH+]1CCCCC1)CCn1c(=O)oc2c1ccc(c2)Cl	0.02	0.0
Compound_832	CNC(Cc1cccc2c1cco2)C	0.02	0.0
Compound_833	CSc1nc(n(n1)C(=N)SC)N	0.2	0.0
Compound_834	Cc1cnnn1c1c(C)nn(c1C)C	0.75	1.0
Compound_835	CCC=CCC=CCC=CCC=CCC=CCCCCCC(=O)OC	0.86	1.0
Compound_836	CC(=O)c1ccc(cc1)OS(=O)(=O)CS(=O)(=O)Oc1ccc(cc1)C(=O)C	0.88	1.0
Compound_837	C#CCCCCCCC=CCCCCCCCC(=O)O	0.56	1.0
Compound_838	Fc1ccc(c(c1)F)c1ccc(o1)c1ccnn1C(=O)c1ccc(cc1Cl)Cl	0.85	1.0
Compound_839	CCN(S(=O)(=O)c1ccc(s1)c1csc(n1)C)CC	0.96	1.0
Compound_840	O=C1OC(C)(C)OC(=O)C1=CNNc1ccc(cc1)C(F)(F)F	0.39	0.0
Compound_841	Cc1nc(ccc1c1nnc(o1)SCCCN1C(=O)c2c(C1=O)cccc2)C(F)(F)F	0.05	0.0
Compound_842	Cc1ccc(cc1)S(=O)(=O)NC(=O)NCCCN1CCN(CC1)Cc1c(F)cccc1Cl	0.03	0.0
Compound_843	COCC(=O)C(C(=O)OC)C=Nc1ccc(cc1Cl)Cl	0.19	0.0
Compound_844	O=C1C=C(NCc2ccccc2)CC(C1)c1ccc(cc1)Cl	0.17	0.0
Compound_845	CC(=O)N1N=C(OC1c1ccccc1Cl)c1cccnc1	0.14	0.0
Compound_846	ONC=Nc1ccccc1C(=O)OC	0.09	0.0
Compound_847	CCOC(=O)C(=CNc1ccc(cc1)F)C(=O)OCC	0.15	0.0
Compound_848	CCc1cc(CC)cc(c1NC(=S)Nc1ccc(cc1Cl)C)CC	0.64	1.0
Compound_849	CCCCNC(=O)Cn1cnc2c(c1=O)c(C)c(s2)C(=O)Nc1ccccc1C	0.03	0.0
Compound_850	CN(/C=C/C(=O)c1cccc(c1F)Cl)C	0.63	1.0
Compound_851	O=C1C(=Cc2ccc3c(c2)OCO3)CCC/C/1=C\c1ccc2c(c1)OCO2	0.87	1.0
Compound_852	O=C(c1ccco1)Nn1c(=S)[nH]c2c(c1=O)cccc2	0.05	0.0
Compound_853	O=C(Nc1ccccc1C(=O)O)COc1ccccc1	0.04	0.0
Compound_854	CCNC(=O)C[C@H]1SC(=Nc2ccc(cc2)S(=O)(=O)N)N(C1=O)CC=C	0.02	0.0
Compound_855	ON=C(c1ccc(cc1)N(=O)=O)CSc1ccccc1C(=O)O	0.74	1.0
Compound_856	FC(c1cc(Nc2nnc(s2)c2cccnc2Oc2ccccc2)cc(c1)C(F)(F)F)(F)F	0.54	1.0
Compound_857	O=C(NC(=O)c1c(Cl)cccc1Cl)NCCc1ccncc1	0.16	0.0
Compound_858	O=C(N1CCSC1)NC(=O)c1c(F)cccc1Cl	0.15	0.0
Compound_859	COc1cc(ccc1OC)S(=O)(=O)Nc1ccccc1Oc1ccc(cc1Cl)Cl	0.79	1.0
Compound_860	Cc1onc(c1C(=O)Nc1nnc(s1)C1CC1)c1c(F)cccc1Cl	0.22	0.0
Compound_861	Clc1ccc(cc1)CSc1nc(c2n1cccc2)C(=O)C(F)(F)F	0.35	0.0
Compound_862	O=C(Nc1ccc(cc1)Cl)CSc1ccc(nn1)n1nc(cc1C)C	0.47	0.0
Compound_863	Cc1ccc(c(c1)N(=O)=O)OCC1SCCN1C(=O)c1c(C)onc1c1c(Cl)cccc1Cl	0.2	0.0
Compound_864	COC(=O)c1ccccc1NS(=O)(=O)C	0.79	1.0
Compound_865	CCCOC(CC1CCc2c1cccc2)(CC(=O)NO)C=O	0.11	0.0
Compound_866	Cc1cc(n(n1)c1ccccc1)OC(=O)c1ccccc1	0.24	0.0
Compound_867	CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C(=O)CC)CC	0.05	0.0
Compound_868	OC(=O)C1CCCN(C1)CCC=C(c1sccc1C)c1sccc1C	0.01	0.0
Compound_869	CCCOc1c(cccc1OC)CC[NH+](CCOC(=O)Nc1ccccc1)CCOC(=O)Nc1ccccc1	0.07	0.0
Compound_870	Brc1ccc2c(c1NC1=NCC[NH2+]1)cccc2	0.03	0.0
Compound_871	CCOC(=O)c1cn(nc1CCC)C(=O)c1ccco1	0.18	0.0
Compound_872	O=C(Nc1cnn(c1C(F)(F)F)c1ccccc1)Nc1ccc(cc1)OC(F)(F)F	0.18	0.0
Compound_873	CCOC(=O)c1cnn(c1C(F)(F)F)c1ccc(cc1)NS(=O)(=O)c1ccc(cc1)Cl	0.44	0.0
Compound_874	CCOc1ccsc1C(=O)NNC(=O)c1ccc(cc1)N(=O)=O	0.46	0.0
Compound_875	NC(=O)c1sc(cc1N)c1ccc(cc1)C(C)(C)C	0.68	1.0
Compound_876	NC(=O)c1sc(cc1NC(=O)c1ccco1)c1ccccc1	0.11	0.0
Compound_877	Clc1ccc(s1)c1csc(n1)Nc1ccccc1	0.97	1.0
Compound_878	Clc1ccc(cc1)S(=O)(=O)Nc1scc(c1c1nc2c(s1)cccc2)C	0.84	1.0
Compound_879	COc1cccc(c1NC(=O)N1CCN(CC1)c1cc(nc2c1cccc2)C(F)(F)F)Cl	0.07	0.0
Compound_880	O=C(c1cc(oc1C)S(=O)(=O)N1CCOCC1)O/N=C(\c1ccc(cc1)C(C)(C)C)/N	0.08	0.0
Compound_881	OC(=O)CC(CC(=O)Nc1ccsc1C(=O)C)(C)C	0.03	0.0
Compound_882	NC(=NOC(=O)c1cc(Cl)cc(c1)Cl)CCn1nc(c(c1C)Oc1ccc(cc1)Cl)C	0.02	0.0
Compound_883	COc1ccc(cc1)c1c2nc(cc(=O)n2[nH]c1C(F)(F)F)c1cccc(c1)N(=O)=O	0.03	0.0
Compound_884	COc1ccc(cc1)c1ccnc(n1)c1ccncc1	0.94	1.0
Compound_885	OC(=O)CCn1nc(cc(c1=O)Cc1ccccc1)c1ccc(cc1)F	0.0	0.0
Compound_886	NC(=O)NC(=O)Cc1nc2c(s1)cccc2	0.28	0.0
Compound_887	COc1ccccc1N1CCN(CC1)C(=O)C(N1CCCc2c1ccc(c2)C)C	0.08	0.0
Compound_888	Fc1ccc(cc1)C(=O)c1sc2c(c1N)c(C)nc(n2)c1ccccc1	0.45	0.0
Compound_889	O=C(N1CCN(CC1)Cc1ccccc1)Nc1c(C)noc1C	0.01	0.0
Compound_890	O=C(C1CCN(CC1)C(=O)OCc1ccccc1)NC1Cc2c(C1)cccc2	0.01	0.0
Compound_891	CC(=CC#N)NC(=O)c1nccnc1C(=O)O	0.05	0.0
Compound_892	N#Cc1c(cccc1Cl)Oc1ccc(cc1)S(=O)(=O)NNc1c(Cl)cncc1Cl	0.71	1.0
Compound_893	Cc1ccc(cc1NS(=O)(=O)C)NC(=O)c1c(F)cccc1Cl	0.79	1.0
Compound_894	COc1ccc(cc1)SCCC(=O)NNS(=O)(=O)c1cn(c(n1)C)C	0.13	0.0
Compound_895	Clc1sc(c(c1)S(=O)(=O)NCC(c1ccccc1)O)Cl	0.07	0.0
Compound_896	N#CCCN(C(=O)Nc1cccc(c1)C(F)(F)F)Cc1cccs1	0.24	0.0
Compound_897	O=C(Nc1ccccc1N1CCOCC1)Nc1ccccc1	0.02	0.0
Compound_898	N#Cc1c(cccc1Cl)Oc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)N1CCCCC1	0.46	0.0
Compound_899	O=C(c1noc(c1)C)N1CCC2(CC1)OCCO2	0.05	0.0
Compound_900	O=C(c1cc(oc1C(F)(F)F)C)N1CCC(CC1)C(=O)O	0.01	0.0
Compound_901	O=C(Nc1ccccc1N1CCOCC1)CNC1Cc2c(C1)cccc2	0.0	0.0
Compound_902	Clc1ccc(cc1)Cn1[nH]nc2c1ncnc2=O	0.04	0.0
Compound_903	COc1ccc(cc1)N1C(=O)C2C(C1=O)C(=NN2c1ccc(cc1)N(=O)=O)c1ccc(cc1Cl)Cl	0.17	0.0
Compound_904	O=C(Nc1cc(ccc1N1CCCC1)C(F)(F)F)CSCC(=O)O	0.0	0.0
Compound_905	COc1ccc(cc1OC1CCCC1)C(=O)NNS(=O)(=O)c1ccc(s1)CNC(=O)c1ccc(cc1)Cl	0.08	0.0
Compound_906	O=C(N1c2ccccc2Sc2c1cccc2)CSc1nnc(n1c1ccccc1)c1ccncc1	0.24	0.0
Compound_907	Brc1ccc(cc1)n1nnnc1/C=C/Nc1noc(c1)C(C)(C)C	0.54	1.0
Compound_908	ON=C(C(Nc1ccc(cc1)Cl)(C)C)C	0.45	0.0
Compound_909	CCOC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(s1)Cl	0.1	0.0
Compound_910	O=C(Nc1[nH]nc(n1)SCc1ccc(cc1)Cl)COCC(=O)O	0.05	0.0
Compound_911	O=C(N1CCN(CC1)C(=O)C1CCCO1)Nc1cccs1	0.02	0.0
Compound_912	CCOC(=O)c1sc2=NCCCn2c1C	0.1	0.0
Compound_913	CCOC(=O)CSc1nnc(n1C)c1ccncc1	0.15	0.0
Compound_914	N#Cc1c[nH]n2c1nc1CCCCc1c2=O	0.05	0.0
Compound_915	O=C(Cn1nnc2c1cccc2)N/N=C/c1cccs1	0.12	0.0
Compound_916	N#Cc1c(NC(=O)CN2CCN(CC2)c2ccccc2)sc(c1C)C	0.01	0.0
Compound_917	Cc1cc(C)nc2c1c(=O)[nH]s2	0.25	0.0
Compound_918	CCOC(=O)N1CCc2c(C1)sc1c2c(ncn1)n1ncc(c1N)C(=O)OCC	0.05	0.0
Compound_919	COc1ccc(cc1)/C=N/N1C(=NC(=Cc2cccs2)C1=O)c1ccccc1	0.06	0.0
Compound_920	O=C1c2ccccc2C(=O)N1n1c(C)ccc1C	0.34	0.0
Compound_921	NC(=NNC=C1C=C(C=C(C1=O)Cl)N(=O)=O)N	0.26	0.0
Compound_922	Brc1ccc(cc1)NC(=O)C1=C(NC(=O)C1=O)c1ccccc1	0.25	0.0
Compound_923	COc1ccc(cc1)C(c1ccc(cc1)OC)(c1ccccc1)OCC1OC(CC1O)n1ccc(nc1=O)N	0.01	0.0
Compound_924	CS/C(=N\C(=O)OC(C)(C)C)/NC(=O)OC(C)(C)C	0.49	0.0
Compound_925	COc1ccc2c(c1)CCCC2=Nc1ccccc1C(F)(F)F	0.77	1.0
Compound_926	O=c1[nH]c2ccccc2nc1c1c[nH]c2c1cccc2	0.06	0.0
Compound_927	Oc1ccccc1C=NCC1CCC(CC1)CN=Cc1ccccc1O	0.15	0.0
Compound_928	CC(=O)C1=C(O)C(=O)NCC1c1ccc(cc1)Br	0.08	0.0
Compound_929	COc1cc2c(cc1OC)CCN=C2c1ccccc1N	0.15	0.0
Compound_930	COCc1cc(=O)n2c(n1)cc([nH]2)C	0.01	0.0
Compound_931	Clc1ccc(cc1)S(=O)(=O)/C(=C/Nc1cc(C)nc(n1)C)/C(=O)C	0.2	0.0
Compound_932	N#C/C(=C\NN1CCCCC1)/S(=O)(=O)C(C)(C)C	0.06	0.0
Compound_933	NC(=O)c1ccc(s1)c1ccccn1	0.68	1.0
Compound_934	O=C(c1ccc(cc1)C(F)(F)F)Nc1sc(c(n1)c1ccc(c(c1)Cl)C)C	0.65	1.0
Compound_935	Clc1ccc(cc1)S(=O)(=O)NNC(=O)c1csc(n1)CS(=O)(=O)Cc1ccco1	0.1	0.0
Compound_936	Nc1nc(ncc1S(=O)(=O)Cc1ccco1)c1ccncc1	0.28	0.0
Compound_937	N#C/C(=C\Nc1ccc(cc1)OC(F)(F)F)/C(=O)c1cccs1	0.3	0.0
Compound_938	CSC(=CC(=O)c1sc2c(c1C)c(cs2)C)SC	0.91	1.0
Compound_939	CSc1nccc(n1)c1ccc(s1)S(=O)(=O)Nc1cccc(c1)C(F)(F)F	0.91	1.0
Compound_940	N#C/C(=C\Nc1ccccc1Cl)/C(=O)c1sc(c2c1CCC=C2)SC	0.6	1.0
Compound_941	O=C(c1cccc(c1Cl)Cl)NN=Cc1ccc2c(c1)CCC(O2)(C)C	0.53	1.0
Compound_942	N#CC(=C1SCCCCS1)S(=O)(=O)c1ccccc1	0.71	1.0
Compound_943	Cc1ccc(cc1)S(=O)(=O)/N=S(/c1ccc(cn1)C(F)(F)F)\C	0.83	1.0
Compound_944	CC(Sc1c(cnc2c1c(C)nn2C)C(=O)N=S(=O)(c1ccc(cc1)C)C)C	0.41	0.0
Compound_945	CCOC(=O)/C(=C/Nc1onc(c1)C)/C#N	0.2	0.0
Compound_946	N#C/C(=C\Nc1cccc2c1nsn2)/C(=O)C(C)(C)C	0.57	1.0
Compound_947	OC(=O)CSCCOc1ccccc1	0.73	1.0
Compound_948	COC(=O)CNC(=O)c1cccnc1Sc1ccc(cc1)Cl	0.11	0.0
Compound_949	CCOC(=O)CC1Sc2ccccc2NC1=S	0.63	1.0
Compound_950	COC(=O)c1c(OC)ccc(c1OC)NC(=O)CSc1nc(C)cc(n1)C	0.21	0.0
Compound_951	CCOC(=O)C(NC(=O)c1ccccc1)Cc1cccc(c1)C(=O)OC	0.06	0.0
Compound_952	Clc1c(c2ccccc2)n(c2ccccc2)c(=O)c(c1O)c1ccccc1	0.13	0.0
Compound_953	Clc1ccc(cc1)C(=O)NCC1COc2c(O1)cccc2	0.03	0.0
Compound_954	OCC1OC2CC1Oc1n2cc(c(=O)n1)C	0.0	0.0
Compound_955	CCOC(=O)C1=C(C)NC(=C(C1c1ccco1)C(=O)OCC)C	0.37	0.0
Compound_956	S=c1nc(c2ccco2)n(c(=S)n1C(=NCc1ccccc1)c1ccco1)Cc1ccccc1	0.03	0.0
Compound_957	Fc1ccc(cc1)S(=O)(=O)C/C(=N\OC(=O)c1ccc(cc1)Cl)/N	0.23	0.0
Compound_958	O=C(NNC(=O)c1ccc(cc1)Cl)CSCc1c(C)c(C)c(c(c1C)C)C	0.35	0.0
Compound_959	CCCN(S(=O)(=O)c1ccc(cc1)C(=O)N(Cc1ccc(c(c1)OC)OC)Cc1ccccc1)CCC	0.48	0.0
Compound_960	NC(=O)N/N=C/c1ccc2c(c1)OCO2	0.28	0.0
Compound_961	Clc1cccc(c1CSc1nc2ccccc2n2c1ccc2)Cl	0.64	1.0
Compound_962	CCOC(=O)NC(=O)c1cn(Nc2cccc(n2)C(F)(F)F)c(=O)[nH]c1=O	0.02	0.0
Compound_963	S=C(NCc1ccco1)NNC(=NS(=O)(=O)c1ccccc1)N1CCCC1	0.18	0.0
Compound_964	Cc1ccc(c(c1)Cn1n(C)c2c(c1=O)cnc1c2c(C)nn1C)C	0.09	0.0
Compound_965	COc1cccc(c1C(=O)Nc1cc2c(c(c1C)N(=O)=O)C(CC2(C)C)(C)C)OC	0.89	1.0
Compound_966	S=C1NC2(NN1c1ccccc1)CCCC2	0.31	0.0
Compound_967	O=C(c1nnn2c1nc(N)c1c2cccc1)N1CCOCC1	0.03	0.0
Compound_968	CN(/C=C(/C(=O)C1CC1)\C#N)C	0.25	0.0
Compound_969	Clc1ccc(c(c1)Cl)NCc1cccnc1	0.82	1.0
Compound_970	O=C(C1CCC(N1)C(=O)NCc1ccccc1)NCc1ccccc1	0.01	0.0
Compound_971	CSc1ccccc1NC(=O)NCc1ccccc1F	0.53	1.0
Compound_972	O=C(c1cncc(c1)C#Cc1ccccc1)NC(=S)N1CCc2c1cccc2	0.03	0.0
Compound_973	O/N=C/c1c(C)nn(c1C)C(C)(C)C	0.76	1.0
Compound_974	NNC(=O)c1sccc1n1c(C)ccc1C	0.23	0.0
Compound_975	Clc1ccc2c(c1)nccc2Nc1ccccc1Cl	0.99	1.0
Compound_976	O=C(NN=C(C)C)NCc1ccccc1	0.28	0.0
Compound_977	CCOc1ccc(cc1)C(=O)/C=C/C(=O)O	0.96	1.0
Compound_978	O=C(c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F)NNC(=O)c1cccs1	0.12	0.0
Compound_979	O=C(Nc1ccccc1)CSc1nncn1c1ccc(cc1)OCc1ccccc1	0.13	0.0
Compound_980	CSc1nnc(s1)SCc1cc(=O)oc2c1ccc(c2)O	0.56	1.0
Compound_981	Clc1ccc(cc1)C(=O)NNc1snc(n1)c1cccs1	0.58	1.0
Compound_982	C/C=C/C=N/NC(=O)N/N=C/C=C/C	0.17	0.0
Compound_983	Nc1nccc(n1)c1onc(c1)c1cccc(c1)C(F)(F)F	0.29	0.0
Compound_984	Clc1ccc(cc1)NC(=O)c1cccc(c1)Cn1cc(ccc1=O)C(F)(F)F	0.06	0.0
Compound_985	Cc1c(cc(c(=S)[nH]1)C#N)C(=O)OCC	0.68	1.0
Compound_986	Clc1ccc(cc1)c1scc(n1)c1sc2c(c1C)cc(cc2)Cl	0.99	1.0
Compound_987	CN(/C=C/C(=O)c1csc(n1)C)C	0.34	0.0
Compound_988	O=C(C1CCCS1)NNc1cc(Cl)ccc1Cl	0.26	0.0
Compound_989	O=C(Nc1ccc(cc1)Cl)CSc1nc2c(n1C(C)C)ccc(c2)Cl	0.61	1.0
Compound_990	Cc1nnsc1C(=O)n1nccc1c1cnn(c1C)c1ccccc1	0.74	1.0
Compound_991	COC(=O)c1c(C)oc(c1S(=O)(=O)NN(c1ccc(cn1)N(=O)=O)C)C	0.54	1.0
Compound_992	COc1ccc2c(c1)cc([nH]2)C(=O)Nc1nc2c(s1)cccc2	0.72	1.0
Compound_993	Clc1ccc(c(c1)Cl)C(=O)O/N=C/1\CCCc2c1cco2	0.06	0.0
Compound_994	OC(=O)c1cc(n(c1C)Cc1cccs1)C	0.07	0.0