Index	SMILES	Probability	Label
Compound_1	CCC(Nc1ccc(c(c1)C)C)CC	0.78	1.0
Compound_2	CC(=O)c1cccc(c1Cl)Cl	0.94	1.0
Compound_3	CCN(c1ccc(c(c1)C)N=O)CCNS(=O)(=O)C	0.22	0.0
Compound_4	O=C(c1ccccc1)CCc1ccccc1O	0.97	1.0
Compound_5	Clc1cc(Cl)nc(n1)N	0.97	1.0
Compound_6	Cc1ccc(cn1)C(=C)C	0.81	1.0
Compound_7	CCCCNc1nc(N)nc(n1)N	0.68	1.0
Compound_8	CCCC(N=C=O)(CCC)CCC	0.62	1.0
Compound_9	Oc1cc(=O)[nH]c(n1)N	0.08	0.0
Compound_10	NCCSC(=N)N	0.16	0.0
Compound_11	O=C(c1ccc(c(c1)N(=O)=O)Cl)c1ccccc1	0.89	1.0
Compound_12	OC1c2c(O)ccc(c2C(c2c1c(O)ccc2O)O)O	0.98	1.0
Compound_13	COC1=CC[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1OC	0.06	0.0
Compound_14	CC(c1cc(C)c(c(c1)C)O)(c1cc(C)c(c(c1)C)O)C	1.0	1.0
Compound_15	CCCCNC(=S)SCC	0.65	1.0
Compound_16	Oc1c2CC=CCc2c(c2c1cccc2)O	1.0	1.0
Compound_17	CC(=O)c1cc2OCOc2cc1N(=O)=O	0.85	1.0
Compound_18	CN(Cc1cccn1C)C	0.03	0.0
Compound_19	Nc1nc(=O)c2c([nH]1)[nH]c(=O)[nH]2	0.05	0.0
Compound_20	CCC(=O)C(c1ccccc1)(c1ccccc1)CCN1CCCCC1	0.03	0.0
Compound_21	OCCCCOC(=O)CCC(=O)O	0.33	0.0
Compound_22	OCCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1c(Cl)cc(cc1N(=O)=O)N(=O)=O)CCO	0.15	0.0
Compound_23	NNC(=O)CCNCCC(=O)NN	0.21	0.0
Compound_24	CCCCCCC(=O)OCC(COC(=O)CCCCCC)(COC(=O)CCCCCC)CO	0.46	0.0
Compound_25	OC[C@H]([C@H]([C@@H]([C@H](C(=O)NCC(=O)O)O)O)O)O	0.03	0.0
Compound_26	CNCC#N	0.44	0.0
Compound_27	CCCCCCCC1CCCCC1	0.97	1.0
Compound_28	O=C(CC(=O)C(=O)O)CC(=O)C(=O)O	0.19	0.0
Compound_29	CN1CCC(CC1)(C(=O)OC(C)C)c1ccccc1	0.02	0.0
Compound_30	O=C1OC(C)(C)OC(=O)C21CC2	0.47	0.0
Compound_31	CCOc1cc(N(=O)=O)c(cc1N)OCC	0.92	1.0
Compound_32	[O-]C(=O)Cn1cc(Cl)c(=O)c(c1)Cl	0.01	0.0
Compound_33	Oc1ccc(cc1C(C)(C)C)C(c1ccccc1)(C)C	1.0	1.0
Compound_34	CCCOc1ccc(c(c1)N)N	0.55	1.0
Compound_35	COc1ccc(cc1)OCOc1ccc(cc1)OC	0.97	1.0
Compound_36	O=N(=O)c1ccc(c(c1N)C)N(=O)=O	0.84	1.0
Compound_37	OC1C(Cl)(Cl)CCCC1(Cl)Cl	0.69	1.0
Compound_38	CNc1ccc(cc1C(=O)c1ccccc1Cl)Cl	0.99	1.0
Compound_39	CCC(=O)C(C(=O)CC)CCCCCCOc1ccc(cc1Cl)OC	0.83	1.0
Compound_40	BrCCCCCCOc1ccc(cc1Cl)OC	0.91	1.0
Compound_41	[O-]S(=O)(=O)CCN1CCN(CC1)CCS(=O)(=O)O	0.02	0.0
Compound_42	COS(=O)(=O)[O-]	0.1	0.0
Compound_43	OS(=O)(=O)CCCN1CCN(CC1)CCCS(=O)(=O)O	0.04	0.0
Compound_44	NCCNCCN1CCCCC1	0.03	0.0
Compound_45	CC(=O)Nc1ccc(cc1)S(=O)(=O)NC(=O)C	0.16	0.0
Compound_46	CCNc1cc(ccc1C)N(=O)=O	0.84	1.0
Compound_47	O=C(c1ccc(cc1)Oc1ccccc1)CC(=O)C	0.99	1.0
Compound_48	O=C1N(CCN1S(=O)(=O)C)c1ncc(n1C)N(=O)=O	0.09	0.0
Compound_49	O=C=Nc1ccccc1C(C)C	0.55	1.0
Compound_50	O=C1CCC(CC1)C1CCC2(CC1)OCCO2	0.41	0.0
Compound_51	CCCC(CC)(C)C	0.96	1.0
Compound_52	Nc1c(N=Nc2ccc(cc2)S(=O)(=O)CCOS(=O)(=O)O)c2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O	0.8	1.0
Compound_53	CC(=O)OC(CCC(OC(=O)C)(C)C)(C)C	0.72	1.0
Compound_54	O=C1CCC2(C(=C1)C(=CC1C2CCC2(C1CC(=C)[C@]2(O)C(=O)C)C)C)C	0.74	1.0
Compound_55	Brc1[nH]c(nc1Br)c1ccccc1	0.85	1.0
Compound_56	Cn1c(ccc1C)C#N	0.67	1.0
Compound_57	CCCCCCCCCCCC(=O)N=C(N)N	0.35	0.0
Compound_58	ClCN(C(=O)C)CCl	0.87	1.0
Compound_59	CCCCCCCCCCCCCNc1ccc2c(c1)cccc2	0.52	1.0
Compound_60	CC=C(Cl)Cl	0.91	1.0
Compound_61	O=C(c1ccccc1)N1CCC(CC1)c1c[nH]c2c1cccc2	0.05	0.0
Compound_62	Oc1ccc(c(c1)Cl)C(=O)O	0.96	1.0
Compound_63	Cc1cc(N)c(cc1C)S(=O)(=O)O	0.67	1.0
Compound_64	CC(=C(C)C)C	0.67	1.0
Compound_65	CC(C(=O)N)C	0.81	1.0
Compound_66	OCOC(C)C	0.93	1.0
Compound_67	Nc1ccc(cc1)N/N=C/1\C(=O)c2c(C=C1S(=O)(=O)O)cc(c(c2N)N=Nc1ccc(cc1)N)S(=O)(=O)O	0.67	1.0
Compound_68	Cc1ccc(cc1)n1c(=O)cc(n1C)C	0.28	0.0
Compound_69	BrCc1c(Cl)cccc1N(=O)=O	0.67	1.0
Compound_70	CC(CCCCCCCCCCCCCCCCCOC(=O)C)C	0.89	1.0
Compound_71	O=C(c1ccc(cc1)OCc1ccccc1)OCc1ccccc1	0.99	1.0
Compound_72	CCCCCCC(c1cc(O)cc(c1)O)(C)C	0.82	1.0
Compound_73	CCCCCCC(c1cc(O)c2c(c1)OC([C@@H]1[C@H]2CC(=O)CC1)(C)C)(C)C	0.45	0.0
Compound_74	CCOC(=O)CNC(=O)C1(CCCC1)C(C)C	0.16	0.0
Compound_75	CCNC(=O)C1(CCCCCC1)C(C)C	0.2	0.0
Compound_76	COc1ccc(c(c1)C)NC(=O)C1(CCCCCC1)C(C)C	0.58	1.0
Compound_77	CC(C1(CCCCCC1)C(=O)NC1CCCC1)C	0.11	0.0
Compound_78	O=C(C(=C)C)OC(F)(F)F	0.94	1.0
Compound_79	OC(=O)CCN1CCN(CC1)CCC(=O)O	0.0	0.0
Compound_80	OCCCNc1ccc(c2c1C(=O)c1ccccc1C2=O)NC	0.02	0.0
Compound_81	COc1cc(Cc2cnc(nc2N)N)cc(c1Br)OC	0.68	1.0
Compound_82	CCc1ccc(c(c1)N(=O)=O)O	0.98	1.0
Compound_83	CC(=NC#N)OC	0.38	0.0
Compound_84	CCCN(c1ccc(c(c1)NC(=O)C)N=Nc1c(C#N)cc(cc1C#N)N(=O)=O)CCC	0.24	0.0
Compound_85	O=C(NS(=O)(=O)c1ccc(c(c1)N)C)NC1CCCCC1	0.03	0.0
Compound_86	COc1cc(C(=O)O)c(cc1OC)N	0.05	0.0
Compound_87	COc1c(OC)ccc(c1O)C(=O)O	0.44	0.0
Compound_88	COc1cccc(c1OC)C#N	0.63	1.0
Compound_89	OCc1cccc(c1OC)OC	0.7	1.0
Compound_90	OCC1(CO)COC(OC1)C	0.35	0.0
Compound_91	COC(CNCC(OC)OC)OC	0.07	0.0
Compound_92	NCCCCC(C(=O)NCC(=O)N)NC(=O)C1CCCN1C(=O)C1CSSCC(N)C(=O)NC(Cc2ccccc2)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC(=O)N)CCC(=O)N)Cc1ccccc1	0.0	0.0
Compound_93	Nc1ccc2c3c1c1ccccc1C(=O)c3c(cc2)N	0.91	1.0
Compound_94	CCc1ccc2c(c1N(=O)=O)C(=O)c1c(C2=O)cccc1	0.95	1.0
Compound_95	S=C=NC1CC1	0.36	0.0
Compound_96	CN([P+](N(C)C)(N(C)C)On1nnc2c1cccc2)C	0.95	1.0
Compound_97	N#CC(=C1CCCC1)C#N	0.87	1.0
Compound_98	O=C1C(=c2c(=C1c1ccccc1)c1ccccc1c1c2cccc1)c1ccccc1	0.97	1.0
Compound_99	OC(=O)c1cc(cc(c1O)N(=O)=O)S(=O)(=O)O	0.42	0.0
Compound_100	OC[C@H](c1ccccc1)[NH3+]	0.13	0.0
Compound_101	C1CCCCCNCC1	0.83	1.0
Compound_102	Oc1ccc(cc1)N1CCNCC1	0.03	0.0
Compound_103	CCCCCC1OCCCO1	0.97	1.0
Compound_104	COc1cc(ccc1OC)CC(=O)N	0.09	0.0
Compound_105	CC(=O)Oc1ccccc1C(=O)N	0.43	0.0
Compound_106	CCCCCCCCCCCCOCCC#N	0.98	1.0
Compound_107	COC(=O)CC(CC(=O)OC)(O)C	0.39	0.0
Compound_108	CC(c1cc(O)c(cc1Cl)C)C	0.99	1.0
Compound_109	Cc1cccnc1Cc1ccccc1	0.89	1.0
Compound_110	ONc1ncnc2c1[nH]cn2	0.12	0.0
Compound_111	O=C(C(C(=O)OC1CC(C)(C)NC(C1)(C)C)(Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)OC1CC(C)(C)NC(C1)(C)C	0.13	0.0
Compound_112	COc1c(O)cc(cc1Cl)Cl	0.95	1.0
Compound_113	COc1cc(ccc1OC(=O)C)C(=O)Cl	0.97	1.0
Compound_114	O=N(=O)c1ccccc1Nc1c(cccc1N(=O)=O)N(=O)=O	0.94	1.0
Compound_115	O=N(=O)c1ccc(cc1)Nc1c(cccc1N(=O)=O)N(=O)=O	0.94	1.0
Compound_116	Cc1cccc2c1cco2	0.99	1.0
Compound_117	Nc1ccc(cc1)Oc1ccccc1C1CCCCC1	0.91	1.0
Compound_118	Nc1ccc(cc1)Oc1ccccc1C	0.98	1.0
Compound_119	Oc1c(N)cc(c2c1cccc2)S(=O)(=O)O	0.95	1.0
Compound_120	OCCCC(c1ccccc1)c1ccccc1	0.66	1.0
Compound_121	CCCCCCCCCC(=O)NCCNCCO	0.84	1.0
Compound_122	COc1ccc2c(c1)nc(o2)C	0.77	1.0
Compound_123	N#Cc1cc(N)ccc1C#N	0.97	1.0
Compound_124	Cc1ccc2c(c1)nc(o2)C	0.88	1.0
Compound_125	COCCN(c1cccc(c1)C)CC	0.89	1.0
Compound_126	Clc1ccc(cc1)OC(C(=O)OCCNC(=O)c1cccnc1)(C)C	0.01	0.0
Compound_127	OCc1c(N(=O)=O)c(O)c2c(c1N(=O)=O)C(=O)c1c(C2=O)c(O)c(cc1N(=O)=O)N(=O)=O	0.43	0.0
Compound_128	CN(c1ccc(c2c1C(=O)c1ccccc1C2=O)N(C)C)C	0.88	1.0
Compound_129	COc1c(OC)c2OCOc2c2c1c(=O)c1c(n2C)cccc1	0.08	0.0
Compound_130	CCOC(=O)C(N1C(=O)c2c(C1=O)cccc2)C(=O)OCC	0.19	0.0
Compound_131	COC(=O)CN	0.03	0.0
Compound_132	NNC(=O)CNC(=O)OCc1ccccc1	0.17	0.0
Compound_133	CCC(C(=O)c1ccccc1)CC	0.94	1.0
Compound_134	CN(c1ccccn1)C	0.19	0.0
Compound_135	Cc1sc2c(n1)cc(c(c2)C)C	0.97	1.0
Compound_136	Cc1nc2c(o1)cc(cc2)N(=O)=O	0.69	1.0
Compound_137	OC(=O)c1ccccc1OSSOc1ccccc1C(=O)O	0.06	0.0
Compound_138	COCCNc1nc(NCCOC)c(c(c1N=Nc1ccccc1C#N)C)C#N	0.01	0.0
Compound_139	OCC1(CO)COC(OC1)C(Cl)(Cl)Cl	0.22	0.0
Compound_140	C1CC1CC1CC1	0.96	1.0
Compound_141	CCOC(=O)CCc1cocc1	0.91	1.0
Compound_142	COC(=O)NCC(C)C	0.27	0.0
Compound_143	O=Cc1c(=O)on(c1c1ccccc1)C	0.14	0.0
Compound_144	COc1cc(C=C(C#N)C#N)cc(c1OC)OC	0.73	1.0
Compound_145	ClCCCn1c(C)ncc1N(=O)=O	0.46	0.0
Compound_146	O=C(c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O)Nc1ccc(cc1)N=Nc1c(O)c2c(cc1S(=O)(=O)O)cc(c(c2N)N=Nc1ccc(cc1)N(=O)=O)S(=O)(=O)O	0.97	1.0
Compound_147	Cc1ccc(c(c1)S(=O)(=O)O)Cl	0.59	1.0
Compound_148	CCCCCOC(=O)C=C(C)C	0.88	1.0
Compound_149	CC(CCOC(=O)C=C(C)C)C	0.67	1.0
Compound_150	CC(C(=O)C1=CCCCC1)C	0.63	1.0
Compound_151	CCC(Oc1ccc(cc1Cl)Cl)O	0.93	1.0
Compound_152	COc1nc2c(n1C)c(=O)n(c(=O)n2C)C	0.03	0.0
Compound_153	NC(=O)C1CO1	0.03	0.0
Compound_154	Cc1cccc2c1c(C)ccc2	1.0	1.0
Compound_155	Oc1c(Cl)c(O)c(c(c1Cl)O)Cl	0.94	1.0
Compound_156	OC(=O)c1cc(Cl)c(c(c1)Cl)N	0.14	0.0
Compound_157	O=N(=O)c1cc(N(=O)=O)c(cc1S(=O)(=O)O)Cl	0.93	1.0
Compound_158	Clc1c(Cl)cccc1Br	0.99	1.0
Compound_159	ClC(c1ccc(c(c1)Cl)Cl)Cl	0.23	0.0
Compound_160	OC(=O)c1cc(Cl)c(cc1C(=O)O)Cl	0.75	1.0
Compound_161	Clc1ccc(c(c1)N)Oc1ccccc1Cl	0.99	1.0
Compound_162	Clc1cc(ccc1Oc1ccccc1)N(=O)=O	0.99	1.0
Compound_163	N#CCS(=O)(=O)c1ccc(cc1)C	0.8	1.0
Compound_164	CCOC(=O)c1ccc(cc1)OC(=O)CCCCCNC(=N)N	0.01	0.0
Compound_165	OCCN1CN(CO)C(=S)N(C1)CO	0.03	0.0
Compound_166	Oc1cc2cccc(=O)c(c2c(c1O)O)O	0.88	1.0
Compound_167	O=N(=O)c1ccc2c(c1)c(=O)cc([nH]2)c1ccccc1	0.57	1.0
Compound_168	OC(=O)c1ccc2c3c1c(ccc3CC2)C(=O)O	0.37	0.0
Compound_169	NC(=NC(=O)C)N	0.14	0.0
Compound_170	CC(=O)CC(=O)C(=O)O	0.3	0.0
Compound_171	CCCC(C#N)(CCC)O	0.78	1.0
Compound_172	COc1cc(OC)cc(c1C(=O)O)OC	0.31	0.0
Compound_173	COC(=O)Cc1ccc(c(c1)Cl)O	0.97	1.0
Compound_174	CCc1cc(Br)c(c(c1)Br)O	0.99	1.0
Compound_175	N#N=Nc1ccc(cc1)C(=O)CBr	0.88	1.0
Compound_176	CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCCC1	0.29	0.0
Compound_177	O=CCc1ccc(c(c1)OC)OC	0.92	1.0
Compound_178	O=CC(I)(I)I	1.0	1.0
Compound_179	CCNc1cc(ccc1OC)NC(=O)C	0.2	0.0
Compound_180	OCC(=O)COP(=O)(O)O	0.11	0.0
Compound_181	Nc1ccc(cc1)C(c1ccc(cc1)N)(c1ccccc1)O	0.82	1.0
Compound_182	CCN1C(=O)C(=CC=c2n(CC)c3c(n2CC)cccc3)C(=O)N(C1=S)CC	0.03	0.0
Compound_183	COc1cc(N)c(cc1C(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2)Cl	0.04	0.0
Compound_184	OC(=O)CCCCCNC(=O)C	0.04	0.0
Compound_185	Clc1cc(ccc1OCCOc1ccc(cc1Cl)C(=O)O)C(=O)O	0.69	1.0
Compound_186	CC(=O)OCCOCCNc1ccc(c2c1cccc2)N=Nc1c(Br)cc(cc1N(=O)=O)N(=O)=O	0.5	0.0
Compound_187	CC(c1cc(cc2c1cccc2)C(C)C)C	1.0	1.0
Compound_188	CCCCCCCCCCCCOc1ccc(cc1)c1ccc(cc1)C#N	0.95	1.0
Compound_189	O=CC(=O)OCCc1ccccc1	0.95	1.0
Compound_190	Oc1cc2ccccc2c(c1CCCN1CCOCC1)C(=O)N	0.0	0.0
Compound_191	C#Cc1ccc2c(c1)OCO2	0.99	1.0
Compound_192	S=C=Nc1cc(ccc1Cl)N(=O)=O	0.98	1.0
Compound_193	CC(=NCCNCCNCCNCCN=C(C)C)C	0.18	0.0
Compound_194	CCCCCCCCCCCCCC1=NCCN1CCN	0.11	0.0
Compound_195	CC(CCCCCCCCCCNCCCCCCCCCCC(C)C)C	0.71	1.0
Compound_196	Oc1ccc(c2c1cccc2)O	1.0	1.0
Compound_197	Cc1cccc2c1cccc2C	1.0	1.0
Compound_198	CCCCN(CNC(=O)C=C)CCCC	0.51	1.0
Compound_199	CCOC(=O)C(=P(c1ccccc1)(c1ccccc1)c1ccccc1)C	0.95	1.0
Compound_200	O=C1[C@@H](N)[C@@H]2N1C(=C(CS2)C)C(=O)OCOC(=O)C(C)(C)C	0.03	0.0
Compound_201	CC12CCC(CC1)C(S2)(C)C	0.88	1.0
Compound_202	OC(=O)CN1C(=S)SCC1=O	0.06	0.0
Compound_203	O=c1nc(C)[nH]c2c1CSC2	0.02	0.0
Compound_204	Cc1nc(Cl)c2c(n1)CSC2	0.18	0.0
Compound_205	OCCCCCOC(=O)C=C	0.82	1.0
Compound_206	CC(c1cc(cc(c1C(=O)Cl)C(C)C)C(C)C)C	0.99	1.0
Compound_207	OB(c1ccc(cc1)C)O	0.88	1.0
Compound_208	COc1ccc(cc1)B(O)O	0.85	1.0
Compound_209	OCCC1CCN(CC1)CCCN1c2cc(ccc2Sc2c1ccc(c2)OC)S(=O)(=O)N(C)C	0.08	0.0
Compound_210	N[C@H](C(=O)O)CC(C)(C)C	0.03	0.0
Compound_211	ClCC(=O)NCc1ccc(cc1)Oc1cc(O)c2c(c1N)C(=O)c1c(C2=O)cccc1	0.13	0.0
Compound_212	CCCCCCCCCCCCCCCCOC(=O)Nc1ccc(c(c1)NC1=NN(C(=O)C1)c1c(Cl)cc(cc1Cl)Cl)Cl	0.02	0.0
Compound_213	Cc1cc2c(c(c1O)C)C(CC2(C)C)(C)C	0.99	1.0
Compound_214	N#Cc1cccc(c1C)C	0.97	1.0
Compound_215	Clc1ccc(cc1Cl)N1CCNCC1	0.03	0.0
Compound_216	O=COC(C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnnn1C)c1ccccc1	0.0	0.0
Compound_217	CN(c1ccc(cc1)C=C1C(=O)N(C)C(=O)N(C1=O)C)C	0.24	0.0
Compound_218	CCCCNC(=O)c1ccccc1O	0.09	0.0
Compound_219	O=C1c2cc(O)ccc2C(=O)c2c1cc(O)cc2	1.0	1.0
Compound_220	CCCCCCCCCCCCCCCC(=O)N(CC)CC	0.95	1.0
Compound_221	CCCCCCCC(=O)N(CCCC)CCCC	0.96	1.0
Compound_222	Cc1ccc(cc1)N=NC=C1N(C)c2c(C1(C)C)cccc2	0.34	0.0
Compound_223	Nc1ccc2c(c1O)cccc2S(=O)(=O)O	0.94	1.0
Compound_224	CC(=O)c1ccc(cc1)c1ccccc1N(=O)=O	0.99	1.0
Compound_225	Brc1ccc(cc1)c1ccc(cc1)C(=O)C	1.0	1.0
Compound_226	C(OCCOc1cccc2c1nccc2)COCCOCCOc1cccc2c1nccc2	0.44	0.0
Compound_227	Brc1cc2ccccc2c2c1cccc2	1.0	1.0
Compound_228	Nc1ccc2c(c1)C(=O)OC2	0.74	1.0
Compound_229	CC(=O)Oc1cc(C)c(c2c1cccc2)OC(=O)C	0.5	0.0
Compound_230	CC(=O)N([C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C)Oc1ccccc1	0.02	0.0
Compound_231	CCCCCCCCCc1ccccc1OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_232	COCCOCCNCCOCCOC	0.47	0.0
Compound_233	CC(=O)N(c1ccccc1C)C	0.74	1.0
Compound_234	O=C1N(c2n[nH]nn2)C(=O)c2c1cccc2	0.07	0.0
Compound_235	N#CC=C1CCCC1	0.87	1.0
Compound_236	Cc1cc(Cl)nc(n1)N(C)C	0.58	1.0
Compound_237	OC(=O)c1cccc(c1Br)N(=O)=O	0.9	1.0
Compound_238	Nc1ccc(cc1)N1CCCCCC1	0.16	0.0
Compound_239	Oc1c(cccc1N(=O)=O)N(=O)=O	0.98	1.0
Compound_240	CN(C1CCCCC1)Cc1ccccc1N	0.06	0.0
Compound_241	CCCCOc1ccc(cc1)C=O	0.98	1.0
Compound_242	CCCCOc1ccc(cc1)C(=O)C	0.97	1.0
Compound_243	CCCCCOc1ccc(cc1)C=O	0.96	1.0
Compound_244	CCCCCCOc1ccc(cc1)C=O	0.98	1.0
Compound_245	C=CCc1ccc(c(c1)OC)OCc1ccccc1	0.81	1.0
Compound_246	CCCCCC1=C(CCC1CC(=O)OC)OC(=O)C	0.21	0.0
Compound_247	O=C(c1ccc(cc1)C(=O)Oc1c(Br)cc(cc1Br)Br)Oc1c(Br)cc(cc1Br)Br	0.99	1.0
Compound_248	CCOC(=O)Cc1cccs1	0.96	1.0
Compound_249	CC1=C(CCCCC)CCC1=O	0.83	1.0
Compound_250	CC1CN1P(=O)(N1CC1C)N1CC1C	0.42	0.0
Compound_251	NNc1ccc(cc1S(=O)(=O)C)S(=O)(=O)C	0.71	1.0
Compound_252	Oc1ccc2c(c1Br)cccc2	1.0	1.0
Compound_253	CN(CCCNc1ccccc1N(=O)=O)CCCNc1ccccc1N(=O)=O	0.02	0.0
Compound_254	ClCc1ccc(c(c1)N(=O)=O)Cl	0.5	0.0
Compound_255	CCCC(CCC)(CO)C	0.83	1.0
Compound_256	O=c1c(coc2c1cccc2)c1ccccc1	0.99	1.0
Compound_257	CCCCCCCCCCCCCCCC(=O)N(C(C)C)C(C)C	0.96	1.0
Compound_258	CCCCCCCCCCCCCCOC(=O)CS	0.96	1.0
Compound_259	C=CCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1c(Br)cc(cc1N(=O)=O)N(=O)=O)CC(=O)OC	0.42	0.0
Compound_260	N#Cc1cc(ccc1C#N)NC(=O)CCCCCCCCC(=O)Nc1ccc(c(c1)C#N)C#N	0.5	0.0
Compound_261	O=C1c2ccccc2N(C1=O)C(=O)C	0.34	0.0
Compound_262	CC(=O)c1c(O)ccc2c1cccc2	1.0	1.0
Compound_263	OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1[nH]cnc2=S	0.0	0.0
Compound_264	COCCOCCOCCOCCOC(=O)C(=C)C	0.79	1.0
Compound_265	OCc1cccc(c1)I	0.78	1.0
Compound_266	COC(=O)[C@H](CC(=O)N)N	0.02	0.0
Compound_267	ON=C(c1ccccc1)c1ccccc1	0.71	1.0
Compound_268	ClCCC=C(c1ccccc1)c1ccccc1	0.89	1.0
Compound_269	Oc1ccc(c2c1cccc2)N=Nc1ccc(cc1)S(=O)(=O)O	0.99	1.0
Compound_270	OC(=O)c1cc(c2ccc(o2)N(=O)=O)c2c(n1=O)cccc2	0.13	0.0
Compound_271	CCOC(=O)C(C(=O)OCC)Cc1cccnc1	0.52	1.0
Compound_272	O=C(c1ccccc1)Cc1ccccc1Cl	0.94	1.0
Compound_273	COc1cc(Cl)ccc1C(=O)[O-]	0.94	1.0
Compound_274	O=S1c2cc(ccc2Nc2c1cc(cc2)N(=O)=O)N(=O)=O	0.82	1.0
Compound_275	COc1cc2ccc(=O)oc2c(c1O)O	0.85	1.0
Compound_276	COC(=O)Cc1ccccc1Cl	0.93	1.0
Compound_277	C=CC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)C=C	0.99	1.0
Compound_278	Nc1ccccc1SCSc1ccccc1N	0.91	1.0
Compound_279	BrCCN1C(=O)c2c(C1=O)cccc2	0.06	0.0
Compound_280	CSc1nccc(=O)[nH]1	0.07	0.0
Compound_281	CCOC(=O)c1cscc1	0.97	1.0
Compound_282	O[C@H](COc1ccc(cc1)O)CNC(C)C	0.01	0.0
Compound_283	Clc1ncc([nH]1)N(=O)=O	0.82	1.0
Compound_284	CC(=O)Nc1cccc2c1cccc2	0.93	1.0
Compound_285	Cc1ccc2c(c1)c(C)ccc2	1.0	1.0
Compound_286	O=c1[nH][nH]c(=O)c(c1)C	0.25	0.0
Compound_287	NCCC1OCCO1	0.07	0.0
Compound_288	OCCN(CCCN(C)C)CCO	0.29	0.0
Compound_289	Cc1cc(Cc2cc(C)cc(c2O)C(C)(C)C)c(c(c1)C(C)(C)C)OC(=O)c1ccc(cc1)C(=O)Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(C)cc(c1O)C(C)(C)C	0.96	1.0
Compound_290	N#CCC1=C(C)CCCC1(C)C	0.74	1.0
Compound_291	CCCCCCCCCCCCCCCCOC(=O)CC(=O)C	0.66	1.0
Compound_292	COCOC(=O)c1ccccc1O	0.72	1.0
Compound_293	OC(=O)COc1c(Cl)cc(cc1Cl)Cl	0.49	0.0
Compound_294	OC(=O)COc1c(Cl)cccc1Cl	0.58	1.0
Compound_295	COC(CC#N)OC	0.88	1.0
Compound_296	O=C(c1ccc(cc1)N)OCCCOC(=O)c1ccc(cc1)N	0.09	0.0
Compound_297	Cc1cccc(c1Br)C	0.99	1.0
Compound_298	C[NH+](C([NH+](C)C)[NH+](C)C)C	0.28	0.0
Compound_299	O1CCN(CC1)n1cnnc1	0.03	0.0
Compound_300	COc1cc(CN)ccc1OC	0.3	0.0
Compound_301	OC[C@@H](C(=O)O)NC(=O)Cc1c(C)n(c2c1cc(OC)cc2)C(=O)c1ccc(cc1)Cl	0.02	0.0
Compound_302	CNn1cc(c2c1cccc2)c1ccccc1	0.86	1.0
Compound_303	CCOC(=O)CC1=CCCC1	0.91	1.0
Compound_304	S=c1[nH]c2c(n1C1CCNCC1)cccc2	0.01	0.0
Compound_305	O=C1CCCc2c1c1cc3ccccc3cc1cc2	0.99	1.0
Compound_306	Cc1ccno1	0.89	1.0
Compound_307	O=C(Cc1ccccc1)OC1CCC(CC1)C(C)(C)C	0.63	1.0
Compound_308	CCOP(=O)(OCC)NCCc1ccccc1	0.76	1.0
Compound_309	CC(c1nccnc1Cl)C	0.95	1.0
Compound_310	Cc1cc(C)c(c(c1)C)Br	0.99	1.0
Compound_311	O=C(ON1C(=O)CCC1=O)OCCS(=O)(=O)CCOC(=O)ON1C(=O)CCC1=O	0.16	0.0
Compound_312	CN(C1=C(C)CC(CC1=O)(C)C)C	0.07	0.0
Compound_313	O=Cc1ccc(cc1)OC(C)(C)C	0.99	1.0
Compound_314	C/C(=N\O)/C(=O)C	0.42	0.0
Compound_315	O=N(=O)c1ccccc1Br	0.88	1.0
Compound_316	COc1c(OC)cc(cc1C(=O)Cl)S(=O)(=O)N	0.07	0.0
Compound_317	COC(=O)c1cc(cc(c1OC)OC)S(=O)(=O)NC	0.33	0.0
Compound_318	N#CCCOCCOCCOCCOCCC#N	0.76	1.0
Compound_319	CN(c1ccc(cc1)C(c1ccco1)c1ccc(cc1)N(C)C)C	0.83	1.0
Compound_320	OC(=O)c1ccccc1C(=O)C	0.4	0.0
Compound_321	O=C(ON1C(=O)CCC1=O)CCSSCCC(=O)ON1C(=O)CCC1=O	0.15	0.0
Compound_322	O=N(=O)c1ccccc1C(=O)C	0.99	1.0
Compound_323	N#Cc1c(O)cccc1O	0.98	1.0
Compound_324	CCOC(=O)C(=O)c1ccc(cc1O)O	0.9	1.0
Compound_325	Oc1ccc(c(c1)N(=O)=O)N(=O)=O	0.97	1.0
Compound_326	COc1ccc(cc1N(=O)=O)N	0.97	1.0
Compound_327	Cc1ccc(cc1)S(=O)(=O)Oc1ccc(c(c1)S(=O)(=O)O)O	0.51	1.0
Compound_328	O=N(=O)c1ccc(cc1)S(=O)(=O)n1ncnc1	0.71	1.0
Compound_329	Oc1ccc(cc1c1ccccc1)C(C)(C)C	1.0	1.0
Compound_330	CCCCN(CCCC)CCc1ccccc1	0.51	1.0
Compound_331	O=C(Nc1ccccc1)OCC1(CCCC1)COC(=O)Nc1ccccc1	0.12	0.0
Compound_332	O=Cc1cc(C)ccc1C	0.98	1.0
Compound_333	C1OC2N(C1)CCO2	0.13	0.0
Compound_334	CCCCCCCC(=O)OCCS	0.98	1.0
Compound_335	COC(=O)C(=O)Cl	0.94	1.0
Compound_336	COC(=O)C(=O)OC(=O)C(=O)OC	0.26	0.0
Compound_337	O=C(Oc1ccccc1C(=O)O)CCC(=O)Oc1ccccc1C(=O)O	0.27	0.0
Compound_338	CCOC(=O)c1ccc(cc1)NC=Nc1ccc(cc1)C(=O)OCC	0.06	0.0
Compound_339	Brc1cc(c(s1)Br)C(Br)Br	0.97	1.0
Compound_340	Cc1ccc(c(c1)N)N(=O)=O	0.96	1.0
Compound_341	OC(c1ccccc1)(c1ccccc1)C1CC1	0.9	1.0
Compound_342	CCCCCCCCCC(=O)OCC=C	0.99	1.0
Compound_343	Brc1cc(Cc2cc(Br)cc(c2O)Br)c(c(c1)Br)O	0.95	1.0
Compound_344	Nc1cccc2c1nccc2	0.96	1.0
Compound_345	O=C1N=C(N(C1)C)NP(=O)(O)O	0.02	0.0
Compound_346	Oc1cc(cc2c1ccc(c2)S(=O)(=O)O)S(=O)(=O)O	0.92	1.0
Compound_347	CC(=O)Nc1ccsc1N(=O)=O	0.69	1.0
Compound_348	Clc1cc2[nH]c(=O)oc2cc1S(=O)(=O)N	0.06	0.0
Compound_349	Cc1ccc2c(c1)c(=O)c1c([nH]2)c(=O)c2c(c1=O)[nH]c1c(c2=O)cc(cc1)C	0.84	1.0
Compound_350	CCC(=O)c1ccc(cc1O)O	0.99	1.0
Compound_351	CCCCCCOCC(=O)O	0.98	1.0
Compound_352	CC(=C)OC(=O)Cl	0.94	1.0
Compound_353	ClC(C(=O)N(c1ccc(cc1)O)C)Cl	0.93	1.0
Compound_354	CCOC(=O)CNCc1ccccc1O	0.08	0.0
Compound_355	NC(=O)CNCc1ccccc1O	0.02	0.0
Compound_356	CCOC(=O)COC1CCCCC1	0.97	1.0
Compound_357	CCCCCCCCC(=O)OCCc1ccccc1	0.98	1.0
Compound_358	CCN(c1ccc(cc1)N=Nc1cc(OC)c(cc1OC)N=Nc1ccc(cc1)N(=O)=O)CC	0.9	1.0
Compound_359	C=CCOCCOCCOCC=C	0.96	1.0
Compound_360	Brc1ccc(c(c1)C(=O)O)N	0.46	0.0
Compound_361	C1CCN(C1)c1nc(nc(n1)N1CCCC1)N1CCCC1	0.1	0.0
Compound_362	CN(N1CC=CC=C1)C	0.46	0.0
Compound_363	Nc1cccc(n1)Cc1ccccc1	0.86	1.0
Compound_364	O=c1cc(C)c2c(o1)nc(cc2)N1CCOCC1	0.01	0.0
Compound_365	COc1cc(=O)n(c2c1ccc(n2)N(C)C)C	0.07	0.0
Compound_366	NOCc1c(F)c(F)c(c(c1F)F)F	0.74	1.0
Compound_367	CCOC(=O)c1ccc(cc1)Br	0.98	1.0
Compound_368	OC1(CC[NH2+]CC1)c1ccc(cc1)Br	0.03	0.0
Compound_369	OC1(CCNCC1)c1ccc(cc1)C	0.01	0.0
Compound_370	CC(=O)N(c1ccccc1)CC(=O)O	0.01	0.0
Compound_371	COC(=O)c1ccccc1OC(=O)C	0.87	1.0
Compound_372	Brc1ccc2c(c1)cccc2	1.0	1.0
Compound_373	Nc1ccc2c(c1)cccn2	0.95	1.0
Compound_374	Oc1ccc2c(c1)cccn2	0.99	1.0
Compound_375	Oc1cnc2c(c1)cccc2	0.98	1.0
Compound_376	[O-]c1ccc2c(c1)[nH+]ccc2	0.97	1.0
Compound_377	Nc1ccc2c(n1)cccc2	0.98	1.0
Compound_378	CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC	0.95	1.0
Compound_379	COc1ccc(c(c1)C(=O)CC)OC	0.97	1.0
Compound_380	COc1ccc(cc1S(=O)(=O)Cl)NC(=O)C	0.88	1.0
Compound_381	CCN(c1nc(nc(n1)Cl)N(CC)CC)CC	0.53	1.0
Compound_382	CC1(C)CCC=C1	0.84	1.0
Compound_383	COCCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1c(Cl)cc(cc1C#N)N(=O)=O)CCOC	0.33	0.0
Compound_384	CCCCCCCCCCCCCCCCCc1[nH]c2c(n1)cccc2	0.32	0.0
Compound_385	Nc1ccccc1c1nc2c([nH]1)cccc2	0.6	1.0
Compound_386	CCn1c(C)nc2c1cccc2	0.11	0.0
Compound_387	CCCCNCc1ccccn1	0.25	0.0
Compound_388	OCCN(c1ccc(c(c1)C)N=O)CC	0.25	0.0
Compound_389	Oc1ccc(cc1C(CC(C)(C)C)(C)C)C(CC(C)(C)C)(C)C	0.99	1.0
Compound_390	N#CCN1CCOCC1	0.23	0.0
Compound_391	COCCCCC1CCCCC1	0.98	1.0
Compound_392	C1CNC2=NCCCN2C1	0.03	0.0
Compound_393	OC(=O)Cc1ccc(c(c1)Cl)Cl	0.81	1.0
Compound_394	CCCCCCCCCCCCOc1ccc(cc1)S(=O)(=O)Cl	0.98	1.0
Compound_395	N#CSC(C(=O)c1ccc(cc1)C)(Cl)Cl	0.92	1.0
Compound_396	NC1CN(C)C2C(=C1)c1cccc3c1c(C2)c[nH]3	0.02	0.0
Compound_397	CCCCCCCCCc1ccc(c(c1)C(=O)c1ccccc1)O	0.78	1.0
Compound_398	CCN(c1ccc(c(c1)O)C(=O)c1ccccc1C(=O)O)CC	0.45	0.0
Compound_399	Nc1ccc(cc1)C(=O)c1ccc(cc1)N(C)C	0.93	1.0
Compound_400	N#N=Nc1ccc(c(c1)C(=O)O)Nc1ccc(cc1)OC	0.07	0.0
Compound_401	N#CCCCCCCCCCCC(=O)O	0.85	1.0
Compound_402	OCCN(c1ccc(c(c1)Cl)N=Nc1ccc(cc1Cl)N(=O)=O)CCO	0.71	1.0
Compound_403	N#CCCN(c1ccc(cc1)N=Nc1ccc(cc1Cl)N(=O)=O)CCOCCC#N	0.63	1.0
Compound_404	CCOc1ccccc1NC(=O)C	0.42	0.0
Compound_405	CCCCCCCCOC(=O)Nc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.47	0.0
Compound_406	O=C(OCc1ccccc1)NCCCC[C@@H](C(=O)N)N	0.07	0.0
Compound_407	O=Cc1cccc2c1c(ccc2)C(=O)O	0.6	1.0
Compound_408	Nc1ccc2c(c1)nc1c(c2)cccc1	0.98	1.0
Compound_409	NCC(C)(C)C	0.4	0.0
Compound_410	OC(=O)c1cc(C)c(cc1O)C	0.29	0.0
Compound_411	COc1cccc(c1)C(=O)N	0.52	1.0
Compound_412	COc1ccc2c(c1)cccc2C(=O)C	0.99	1.0
Compound_413	CC(=O)OC(c1ccccc1)OC(=O)C	0.88	1.0
Compound_414	Cc1c(Br)c(O)c(c(c1Br)Br)Br	0.99	1.0
Compound_415	OS(=O)(=O)c1ccc2c(c1)ccc(c2)S(=O)(=O)O	0.89	1.0
Compound_416	CCC(=O)NN	0.83	1.0
Compound_417	O=N(=O)c1ccc2c(c1)cccc2	1.0	1.0
Compound_418	O=C1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@H]1C)C)CC[C@]1([C@H]3CC[C@@H]1O)C	0.18	0.0
Compound_419	OC(=O)Cc1ccc2c(c1)cccc2	0.61	1.0
Compound_420	CC(=O)Nc1ccc2c(c1)cccc2	0.92	1.0
Compound_421	CC(=C)COc1ccccc1	0.91	1.0
Compound_422	CC(CC(=O)OCCOc1ccccc1)C	0.93	1.0
Compound_423	Cc1ccc2c(c1)cc(cc2)C	1.0	1.0
Compound_424	Clc1cccc(c1)Nc1ccc2c3c1c(=O)c1ccccc1c3cc(=O)n2C	0.3	0.0
Compound_425	Nc1ccc(c(c1)C)N1C(=O)c2c(C1=O)cc(cc2)Cl	0.74	1.0
Compound_426	Nc1c2cccc3c2c(cc1S(=O)(=O)O)c(=O)n(c3=O)C	0.1	0.0
Compound_427	CCOC(=O)c1cccc(c1)N	0.87	1.0
Compound_428	O=C(c1ccccc1)OCc1ccccc1C(=O)Cl	0.91	1.0
Compound_429	OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc1ccccc1CCCCCC(C)C	0.9	1.0
Compound_430	OC(=O)COc1cc(Cl)ccc1Cl	0.61	1.0
Compound_431	ClC(=O)c1cccc(c1)S(=O)(=O)O	0.47	0.0
Compound_432	CC(CC(=O)c1ccccc1)C	0.98	1.0
Compound_433	Cc1cccc(c1)NC(=O)c1ccccc1	0.99	1.0
Compound_434	CCC(CC)(CC)S	0.97	1.0
Compound_435	Cc1ccc(cc1)NC(=O)c1ccccc1	0.98	1.0
Compound_436	CCCCCC(=O)N(C)C	0.85	1.0
Compound_437	C=CCOC(=O)c1ccccc1	0.97	1.0
Compound_438	O=C(c1ccccc1)/C=C/C(=O)O	0.74	1.0
Compound_439	COCC(=O)Nc1cc(ccc1N)Sc1ccccc1	0.07	0.0
Compound_440	C=CCOc1ccccn1	0.97	1.0
Compound_441	CCOc1ccccc1Br	0.98	1.0
Compound_442	CCOC(=O)C(c1ccc(cc1N(=O)=O)N(=O)=O)c1ccc(cc1N(=O)=O)N(=O)=O	0.68	1.0
Compound_443	O=c1ccc2c(o1)c1CCCN3c1c(c2)CCC3	0.38	0.0
Compound_444	O=Cc1sccc1C	0.86	1.0
Compound_445	COc1cc2c(cc1N)oc1c2cccc1	0.85	1.0
Compound_446	CCCCCCCCCCCCc1ccccc1N(=O)=O	0.9	1.0
Compound_447	Brc1ccccc1Br	0.98	1.0
Compound_448	Brc1ccccc1I	0.99	1.0
Compound_449	CN(C(=S)SSC(=S)NCCNC(=S)SSC(=S)N(C)C)C	0.42	0.0
Compound_450	Cc1ccc(c(c1)Br)N	0.99	1.0
Compound_451	O=C1c2ccccc2C(=O)c2c1c1noc(c1cc2)C	0.32	0.0
Compound_452	Oc1ccc(c(c1)Br)O	0.99	1.0
Compound_453	Cc1ccc(c(c1)C)Br	0.98	1.0
Compound_454	Brc1ccc(c(c1)C)C	0.99	1.0
Compound_455	Brc1ccc(c(c1)C)N	0.99	1.0
Compound_456	OCC(=C)c1ccccn1	0.95	1.0
Compound_457	CCCCCCCC/C(=C(/CCCCCCCCCCCC(=O)OCC)\I)/I	0.94	1.0
Compound_458	COC(=O)Cc1cscc1	0.94	1.0
Compound_459	CCCCNCCS	0.69	1.0
Compound_460	O=C1NC(=S)N(C1)C(=O)C	0.05	0.0
Compound_461	OCCN(CCCS(=O)(=O)O)CCO	0.09	0.0
Compound_462	CCCCC#CCCC#CCCCCCCCl	0.95	1.0
Compound_463	OCCNc1cc(C)c(c(n1)NCCCOCCOc1ccccc1)C#N	0.01	0.0
Compound_464	OC(=O)C(=Cc1ccccc1)C(=O)O	0.44	0.0
Compound_465	O=N(=O)c1ccc(c(c1)N(=O)=O)Br	0.98	1.0
Compound_466	COc1ccc(cc1OCc1ccccc1)C(=O)O	0.77	1.0
Compound_467	CCOc1cc(ccc1[N+]#N)N(CC)CC	0.23	0.0
Compound_468	CCCSc1c(Cl)c(Cl)nc(c1Cl)NN	0.83	1.0
Compound_469	CCCOc1cc(OCCC)c(c(c1)OCCC)C=O	0.9	1.0
Compound_470	CCCOc1cc(OCCC)cc(c1C=Nc1cc(ccc1O)N(=O)=O)OCCC	0.49	0.0
Compound_471	Nc1ccc(c2c1C(=O)c1ccccc1C2=O)Nc1ccc(cc1)C(=O)O	0.09	0.0
Compound_472	Nc1ccc(c2c1C(=O)c1ccccc1C2=O)Nc1cccc(c1)C(=O)O	0.09	0.0
Compound_473	Cc1ccc(cc1)N(c1ccc(cc1)C)c1ccc(cc1)C1(CCCCC1)c1ccc(cc1)N(c1ccc(cc1)C)c1ccc(cc1)C	0.75	1.0
Compound_474	Clc1cc(N(=O)=O)c(cc1O)Cl	0.91	1.0
Compound_475	O=N(=O)c1ccc(c(c1)Br)O	0.98	1.0
Compound_476	N#CNC(=NC)SC	0.27	0.0
Compound_477	C=CC(C[C@@H](C(=O)O)N)(O)O	0.03	0.0
Compound_478	OCCN(c1ccc(c(c1)C)N=Nc1ccc(c(c1)Cl)C#N)CCO	0.09	0.0
Compound_479	CC(OC1=CC(=O)CCC1)C	0.59	1.0
Compound_480	CC(=O)Nc1ccc(cc1S(=O)(=O)O)N(=O)=O	0.55	1.0
Compound_481	CC(=O)Oc1cc(ccc1OC(=O)C)C(=O)[O-]	0.09	0.0
Compound_482	OC(=O)CSC(CC(C)(C)C)(C)C	0.55	1.0
Compound_483	Oc1cccc(c1)S(=O)(=O)O	0.42	0.0
Compound_484	OCCN(c1ccc(c(c1)NC(=O)C)N=Nc1cc(Cl)c(cc1Cl)S(=O)(=O)N(CC)CC)CCO	0.1	0.0
Compound_485	CC1=Cc2c3c1cccc3ccc2	0.96	1.0
Compound_486	COc1cc(c(cc1N)Cl)c1cc(OC)c(cc1Cl)N	0.98	1.0
Compound_487	OC(=O)c1cc(N)c(cc1Cl)S(=O)(=O)O	0.58	1.0
Compound_488	Nc1ccc(cc1)c1nc2c(s1)cc(cc2)c1nc2c(s1)c(c(cc2)C)S(=O)(=O)O	0.98	1.0
Compound_489	Nc1ccc(cc1S(=O)(=O)O)c1nc2c(s1)c(c(cc2)C)S(=O)(=O)O	0.97	1.0
Compound_490	CC1=NN(C(=O)C1)c1ccc(cc1)c1nc2c(s1)c(c(cc2)C)S(=O)(=O)O	0.91	1.0
Compound_491	CCN(C(=O)c1ccccc1)c1ccc(c(c1)C)N	0.62	1.0
Compound_492	CCn1nc(Br)c(=O)c2c1cc1OCOc1c2	0.09	0.0
Compound_493	OCCN(C(=O)c1ccccc1)CCO	0.3	0.0
Compound_494	Cc1cccc(c1)C(=O)C	0.98	1.0
Compound_495	Brc1cccc(c1)C(=O)O	0.95	1.0
Compound_496	Brc1cccc(c1)N(=O)=O	0.97	1.0
Compound_497	O=C(Nc1ccc(c(c1)S(=O)(=O)O)N)Nc1ccc(c(c1)S(=O)(=O)O)N	0.88	1.0
Compound_498	Sc1ccc(c(c1)Cl)Cl	0.83	1.0
Compound_499	Clc1ccc(c(c1)S)Cl	0.91	1.0
Compound_500	O=C1CSc2c1c(C)c(Cl)cc2Cl	0.95	1.0
Compound_501	OCCSCCCCCCCCSCCO	0.96	1.0
Compound_502	[S-]c1ccc(c(c1)[S-])Cl	0.89	1.0
Compound_503	CS(=O)(=O)Oc1c2cccc(c2ccc1S(=O)(=O)Cl)N(S(=O)(=O)C)S(=O)(=O)C	0.97	1.0
Compound_504	Oc1c2cccc(c2ccc1S(=O)(=O)O)N	0.96	1.0
Compound_505	CC(=O)Nc1cccc2c1ccc(c2OC(=O)C)S(=O)(=O)Cl	0.94	1.0
Compound_506	C=CC(=O)OCc1c(Cl)c(Cl)c(c(c1Cl)Cl)COC(=O)C=C	0.87	1.0
Compound_507	CC(=C)C(=O)OCc1c(Cl)c(COC(=O)C(=C)C)c(c(c1Cl)Cl)Cl	0.72	1.0
Compound_508	O=C(C(=C)C)OCc1c(Cl)c(Cl)c(c(c1Cl)Cl)COC(=O)C(=C)C	0.78	1.0
Compound_509	CC(N(C#N)N)C	0.87	1.0
Compound_510	CC(=O)OCCS	0.96	1.0
Compound_511	CCOC(=O)/C(=C/CC)/C	0.82	1.0
Compound_512	O=C(c1cccc(c1)N1C(=O)C=CC1=O)ON1C(=O)CCC1=O	0.04	0.0
Compound_513	ClN1C(=O)OCC1(C)C	0.91	1.0
Compound_514	OC(=O)c1ccc(c(c1)O)C	0.71	1.0
Compound_515	N#C/C(=N\OC(=O)OC(C)(C)C)/c1ccccc1	0.32	0.0
Compound_516	C=Cc1cccc(c1)N(=O)=O	0.99	1.0
Compound_517	CC(CC/C(=N/NC(C)(C)C)/C)C	0.2	0.0
Compound_518	CCCC(CCC(=O)C)C	0.8	1.0
Compound_519	CC(c1ccc(cc1)Br)C	0.99	1.0
Compound_520	COc1ccc(cc1)C(=O)CC(=O)Nc1cc(ccc1OC)C(=O)O	0.15	0.0
Compound_521	CCN(c1ccc(cc1)[N+]#N)Cc1ccccc1	0.75	1.0
Compound_522	CCOP(n1ncnc1)OCC	0.44	0.0
Compound_523	ClC(=O)c1ccc(cc1)Br	0.99	1.0
Compound_524	CN(c1ccc(cc1)Br)C	0.99	1.0
Compound_525	Brc1ccc(cc1)N(=O)=O	0.97	1.0
Compound_526	CC(c1cc(Br)c(cc1Br)Br)C	0.98	1.0
Compound_527	Brc1cc(C(=C)C)c(cc1Br)Br	0.91	1.0
Compound_528	COCc1ccc(o1)N(=O)=O	0.38	0.0
Compound_529	CC(=O)c1ccc(cc1)C(=O)O	0.69	1.0
Compound_530	O=CCCC1OCC(CO1)(C)C	0.66	1.0
Compound_531	OCc1ccccn1	0.39	0.0
Compound_532	ClCC(OC(=O)N)CCl	0.27	0.0
Compound_533	CCc1cccc(c1)N	0.94	1.0
Compound_534	OCc1cccc(c1)C	0.51	1.0
Compound_535	CCOC(=O)c1cc(O)c(cc1O)C(=O)OCC	0.86	1.0
Compound_536	O=Cc1cccc(c1)Cl	0.97	1.0
Compound_537	BrC=C(Cl)Cl	0.96	1.0
Compound_538	N#Cc1ccc(c2c1cccc2)N	1.0	1.0
Compound_539	CCc1ccc(cc1)c1ccc(cc1)C#N	0.97	1.0
Compound_540	CCCc1ccc(cc1)c1ccc(cc1)C#N	0.97	1.0
Compound_541	COc1ccc(cc1)c1ccc(cc1)C#N	0.94	1.0
Compound_542	CCOc1ccc(cc1)c1ccc(cc1)C#N	0.96	1.0
Compound_543	CC(=O)Oc1ccc2c3c1OC1C43CCN(C(C2)C4CCC1O)C	0.01	0.0
Compound_544	COC(=O)c1oc2c(c1CBr)cccc2	0.98	1.0
Compound_545	O=C(c1ccccc1)Oc1ccccc1O	0.97	1.0
Compound_546	CCC1(CCNCC1)c1ccccc1	0.06	0.0
Compound_547	O=C(c1ccccc1)Oc1cc(ccc1OC(=O)c1ccccc1)Cc1nccc2c1cc(OC(=O)c1ccccc1)c(c2)OC(=O)c1ccccc1	0.83	1.0
Compound_548	ClN1C(=O)N(C(C1(C)C)(C)C)Cl	0.92	1.0
Compound_549	CCOC(=O)[C@H](Cc1ccc(cc1)N(=O)=O)N	0.69	1.0
Compound_550	COc1cccc(c1)NC(=O)C	0.79	1.0
Compound_551	Clc1ccc(c(c1)C)N1CCNCC1	0.03	0.0
Compound_552	OC(=O)COc1ccc(c(c1)Cl)Cl	0.66	1.0
Compound_553	ClCCOP(=O)(OCCP(=O)(OCCCl)OCCCl)CCCl	0.88	1.0
Compound_554	BrCc1c(CBr)c(CBr)c(c(c1CBr)CBr)Br	0.8	1.0
Compound_555	OC(=O)COc1cccc(c1)Cl	0.94	1.0
Compound_556	CC(=O)NCc1ccccc1	0.56	1.0
Compound_557	O=C(C(C)(C)C)NC(=O)N	0.25	0.0
Compound_558	BrCCCOc1ccccc1	0.87	1.0
Compound_559	Clc1cc(ccc1NC(=O)C1=Cc2ccccc2C(=NNc2ccc(cc2Cl)N(=O)=O)C1=O)NC(=O)C1=Cc2ccccc2C(=NNc2ccc(cc2Cl)N(=O)=O)C1=O	0.44	0.0
Compound_560	ONC(=O)/C=C/C(=C/[C@H](C(=O)c1ccc(cc1)N(C)C)C)/C	0.55	1.0
Compound_561	[O-]C(=O)C1(CCCCC1)c1ccc(cc1)Cl	0.84	1.0
Compound_562	C=CCOC(=O)C(C(F)(F)F)(F)F	0.98	1.0
Compound_563	CCOc1ccc(cc1)Br	0.93	1.0
Compound_564	O=C(C(C)(C)C)Cn1ncnc1	0.54	1.0
Compound_565	CNCCc1ccccc1	0.24	0.0
Compound_566	C=CCNc1ccccc1	0.72	1.0
Compound_567	Cn1[nH]c(=O)c(=O)[nH]c1=S	0.03	0.0
Compound_568	COC(=O)C1(C)CCC(=CC1)C	0.47	0.0
Compound_569	ClCc1ccc(cc1)Br	0.86	1.0
Compound_570	NNc1ccc(cc1)Br	0.99	1.0
Compound_571	OCc1ccc(cc1)CO	0.44	0.0
Compound_572	CCCCCCCCCOc1ccc(cc1)c1ccc(cc1)C#N	0.95	1.0
Compound_573	CCCCn1cccc1	0.54	1.0
Compound_574	COCCCn1c(=O)c2ccc3c4c2c(c1=O)ccc4c1c2c3ccc3c2c(cc1)c(=O)n(c3=O)CCCOC	0.04	0.0
Compound_575	N#CCCOCC(C)C	0.74	1.0
Compound_576	CCOC(=O)NO	0.26	0.0
Compound_577	CCCCCCCCCCCCCCCOCCCN	0.96	1.0
Compound_578	CCCC(CCC)O	0.93	1.0
Compound_579	CCOP(OCC)Cl	0.93	1.0
Compound_580	CCCCC(=O)CCC	0.89	1.0
Compound_581	CCCCc1ccc(cc1)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)O	0.8	1.0
Compound_582	CCC(=O)CCCc1ccccc1	0.95	1.0
Compound_583	CCc1cc(ccc1N1C(=O)C=CC1=O)Cc1ccc(c(c1)CC)N1C(=O)C=CC1=O	0.22	0.0
Compound_584	CCc1cc(ccc1N1C(=O)C=CC1=O)Cc1ccc(cc1)N1C(=O)C=CC1=O	0.17	0.0
Compound_585	OCCOc1ccc(cc1)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)O	0.12	0.0
Compound_586	Brc1ccc(cc1)I	1.0	1.0
Compound_587	CC1CCC(CC1)C	0.79	1.0
Compound_588	CCNS(=O)(=O)c1cc(Cl)c(cc1Cl)N	0.12	0.0
Compound_589	Cc1ccc(cc1NC(=O)C)Cl	0.97	1.0
Compound_590	COC(=O)c1ccc(cc1N)Cl	0.73	1.0
Compound_591	COc1ccc(cc1)c1cc(O)ccc1O	0.99	1.0
Compound_592	OCCNC(=O)c1c(O)cccc1O	0.04	0.0
Compound_593	C/C=C/Br	0.98	1.0
Compound_594	NC(=Nc1ccc(cc1)N(=O)=O)N	0.91	1.0
Compound_595	OCCNC(=O)c1c(I)c(NC(=O)CN)c(c(c1I)C(=O)O)I	0.0	0.0
Compound_596	c1cnc(cn1)CSCc1ccco1	0.1	0.0
Compound_597	CCC1(C(=O)NCNC1=O)c1ccc(cc1)C	0.04	0.0
Compound_598	CC1=NN(C(=O)C1)CCOc1ccc2c(c1)cccc2	0.02	0.0
Compound_599	S=C=NC(C)(C)C	0.95	1.0
Compound_600	CCC(C(=O)O)(CO)CC	0.4	0.0
Compound_601	CC(=O)CC(C)(C)C	0.97	1.0
Compound_602	CCOc1ccc(cc1)Nc1ccc(cc1)C(=C1C=CC(=[N+](CCO)CCO)C=C1C)c1ccc(cc1C)N(CCO)CCO	0.05	0.0
Compound_603	NN1CCCCCC1	0.12	0.0
Compound_604	CC1(C)CCCCC1	0.77	1.0
Compound_605	OCC1(CCN(CC1)Cc1ccccc1)c1ccccc1	0.04	0.0
Compound_606	O=N(=O)c1ccccc1N1CC[NH2+]CC1	0.27	0.0
Compound_607	ClC(=O)C1CCN(CC1)C(=O)C	0.27	0.0
Compound_608	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC	0.95	1.0
Compound_609	CC(=O)Oc1ccc(cc1)c1ccc(cc1F)F	0.97	1.0
Compound_610	OC(=O)CCBr	0.73	1.0
Compound_611	CCOC(=O)c1cnc(nc1Cl)SC	0.62	1.0
Compound_612	CC#CC(=O)O	0.52	1.0
Compound_613	CNc1c(cccc1N(=O)=O)N(=O)=O	0.84	1.0
Compound_614	C1=CCC2=C(C1)CC1=C(C2)CC=CC1	0.82	1.0
Compound_615	CC(=O)NC(=O)N	0.17	0.0
Compound_616	ClCC1CC1	0.86	1.0
Compound_617	Cc1cccc(c1)Br	0.99	1.0
Compound_618	O=N(=O)c1cccc(c1)c1nnc2c(n1)C(C)(C)OC2(C)C	0.82	1.0
Compound_619	Brc1cccc(c1)I	1.0	1.0
Compound_620	Nc1cccc(c1)Br	0.98	1.0
Compound_621	Oc1cccc(c1)Br	0.99	1.0
Compound_622	CCNCCCC(=O)C	0.9	1.0
Compound_623	CCOc1cccc(c1)NC(=O)C	0.78	1.0
Compound_624	OCC1OC(CC1O)n1cc(Br)c(=O)[nH]c1=O	0.0	0.0
Compound_625	CC1=CCCCC1	0.61	1.0
Compound_626	Oc1cccc(c1)NS(=O)(=O)c1ccccc1	0.39	0.0
Compound_627	Ic1ccccc1	0.99	1.0
Compound_628	O=C(Nc1c(C)cccc1C)CN(CC(=O)O)CC(=O)O	0.01	0.0
Compound_629	CCCCNC(=O)OCC	0.41	0.0
Compound_630	N#CSc1cc(C(=O)OC)c(cc1N)OC	0.74	1.0
Compound_631	CCCCCCCCCCCCN1CCCCC1	0.65	1.0
Compound_632	OC(=O)CCCCCNC(=O)C(=C)C	0.02	0.0
Compound_633	O=C(Nc1cc(N)ccc1Cl)CC(=O)C(C)(C)C	0.45	0.0
Compound_634	Clc1ccc(c(c1)NC(=O)c1cc2ccccc2cc1O)Cl	0.91	1.0
Compound_635	C=CCC=C	0.99	1.0
Compound_636	CC(CCC(C)C)C	0.79	1.0
Compound_637	BrCCc1ccc(cc1Br)Br	0.89	1.0
Compound_638	CCCCCCCCCc1nc(N)nc(n1)N	0.57	1.0
Compound_639	O=C(Oc1c(Cl)cc(cc1Cl)Cl)CC(=O)C	0.97	1.0
Compound_640	N#Cc1cc(Cl)ccc1N	0.95	1.0
Compound_641	CCCCCCCCCCCCN1CCCCCC1=O	0.68	1.0
Compound_642	O=N(=O)c1cc(N)c(c(c1)N)C	0.93	1.0
Compound_643	O=C(c1ccc(cc1)c1ccccc1)Nc1cccc2c1C(=O)c1ccccc1C2=O	0.63	1.0
Compound_644	CC/C=C/CC	0.65	1.0
Compound_645	C=CCCC#N	0.94	1.0
Compound_646	BrCCOCC	0.96	1.0
Compound_647	C=CC(=O)OCCOCCOCCOCCOCCOC(=O)C=C	0.99	1.0
Compound_648	COC(c1ccc2c(c1)OCO2)OC	0.87	1.0
Compound_649	CC(=O)OCN=N(=O)C	0.75	1.0
Compound_650	O=C1C=C(C(=O)O1)Br	0.84	1.0
Compound_651	CCCC/C=C/C	0.93	1.0
Compound_652	C1CCCCOC1	0.85	1.0
Compound_653	SCc1ccc(cc1Cl)Cl	0.69	1.0
Compound_654	CCCCCCCC(=O)F	1.0	1.0
Compound_655	N#N=C1C=Cc2c(C1=O)cccc2S(=O)(=O)OC	0.89	1.0
Compound_656	CC(C#CC#CC(O)(C)C)(O)C	0.89	1.0
Compound_657	Nc1cc(Cl)c(c(c1)Cl)O	0.97	1.0
Compound_658	O=c1ccc2c([nH]1)cccc2	0.2	0.0
Compound_659	Cc1ccccc1P(c1ccccc1)c1ccccc1	0.99	1.0
Compound_660	C[NH+](CCN(c1ccccn1)Cc1ccc(cc1)Cl)C	0.04	0.0
Compound_661	Cc1cccc(n1)C(=S)N	0.69	1.0
Compound_662	NNC(=O)c1ccc(cc1)Br	0.96	1.0
Compound_663	COC(=O)c1sccc1S(=O)(=O)N	0.44	0.0
Compound_664	COC(=O)c1cc(I)ccc1C(=O)OC	0.97	1.0
Compound_665	CCC(C#N)(CC=C)CC	0.9	1.0
Compound_666	C1CC[C@H](CN1)c1ccccc1	0.16	0.0
Compound_667	C=CC1OCCCO1	0.96	1.0
Compound_668	Nc1nc(C)c(cc1N)Br	0.76	1.0
Compound_669	IC=C	1.0	1.0
Compound_670	CCCCCCC=CC=CCO	0.95	1.0
Compound_671	O=C(COc1ccccc1)OOC(CC(C)(C)C)(C)C	0.91	1.0
Compound_672	COc1cc(N(=O)=O)c(cc1NC(=O)c1ccccc1)Cl	0.97	1.0
Compound_673	Cc1ccc(cc1)S(=O)(=O)[O-]	0.62	1.0
Compound_674	CB(C)C	0.87	1.0
Compound_675	BrC(=C)Br	0.99	1.0
Compound_676	CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)(COC(=O)CCCCCCC)CO	0.41	0.0
Compound_677	CC(I)I	0.99	1.0
Compound_678	CC(NC(=O)C(C(C)C)(C(C)C)C)C	0.83	1.0
Compound_679	CC(C(C(=O)NC(C)(C)C)(C(C)C)C)C	0.85	1.0
Compound_680	CCNC(=O)C(CC)(CC)CC	0.43	0.0
Compound_681	CCNC(=O)C(CC(C)C)(C)C	0.37	0.0
Compound_682	COc1cc(N(=O)=O)c(cc1N1CCOCC1)OC	0.15	0.0
Compound_683	CC(Br)(Br)C	0.99	1.0
Compound_684	CCC(Cl)(C)C	0.97	1.0
Compound_685	CCC(I)(C)C	0.98	1.0
Compound_686	CCC([NH3+])(C)C	0.42	0.0
Compound_687	ClCC(OC(CCl)CCl)CCl	0.67	1.0
Compound_688	C=CC(=O)OCc1c(Br)c(Br)c(c(c1Br)Br)COC(=O)C=C	0.92	1.0
Compound_689	CCCCCCCCCCc1ccc(cc1)c1ccc(cc1)C#N	0.72	1.0
Compound_690	CC(=C)C(C)(C)C	0.87	1.0
Compound_691	OC(=O)C(Cl)(C)C	0.86	1.0
Compound_692	COC(=O)C[C@H]1[C@@]2(C)[C@H](O[C@H]3C2=C(C)[C@@H](C3)c2cocc2)[C@@H]([C@@H]2[C@]1(C)C(=O)C=C[C@@]2(C)C(=O)OC)OC(=O)C	0.5	0.0
Compound_693	CC(C(O)(C)C)C	0.82	1.0
Compound_694	CC(N(=O)=O)(C)C	0.94	1.0
Compound_695	CC(N(=O)=O)(Cl)C	0.91	1.0
Compound_696	OOCC(=O)CC(C)C	0.88	1.0
Compound_697	ClCc1ccccc1I	0.89	1.0
Compound_698	CC(C(C)(C)C)(C)C	0.98	1.0
Compound_699	O=N(=O)c1c(N)cccc1Cl	0.86	1.0
Compound_700	ClC(C(C(Cl)(Cl)Cl)(Cl)Cl)Cl	0.98	1.0
Compound_701	CC(=O)Nc1cc(sc1Cl)Cl	0.93	1.0
Compound_702	O=c1oc2c([nH]1)cccc2	0.15	0.0
Compound_703	Cc1ccc(c(c1)N(=O)=O)N1CCCC1	0.75	1.0
Compound_704	CCCCOc1ccc(cc1)CN	0.62	1.0
Compound_705	OC(=O)C(C(=O)O)(C)C	0.24	0.0
Compound_706	O1CCN(CC1)CCc1ccccn1	0.04	0.0
Compound_707	CC(C(=O)c1ccccn1)C	0.79	1.0
Compound_708	CCCCN(c1ccc(c(c1)C)C=C(C#N)C#N)CCOC(=O)Nc1ccc(c(c1)Cl)Cl	0.32	0.0
Compound_709	CCC(C(=O)O)(C(=O)O)C	0.3	0.0
Compound_710	OCC/C(=C(/N(Cc1cnc(nc1N)C)C=O)\C)/SSCCC	0.02	0.0
Compound_711	OC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1	0.55	1.0
Compound_712	O=C(C1CSC2(N1)CCN(CC2)C(=O)Nc1c(C)cccc1C)NCCc1ccc(cc1Cl)Cl	0.03	0.0
Compound_713	CCCCCCCCCCCCCCOCCOCCOCCOC(=O)CCCCCCCCCCCCC	0.95	1.0
Compound_714	O=C1OC(c2c1cccc2)(c1ccc(c2c1cccc2)O)c1ccc(c2c1cccc2)O	0.98	1.0
Compound_715	O=N(=O)c1cc2[nH]ncc2cc1N(=O)=O	0.77	1.0
Compound_716	CC(=O)c1ccc2c(c1)ccc1c2cccc1	0.97	1.0
Compound_717	NCCCCCC1=NCCCCC1	0.05	0.0
Compound_718	NCCCCCC(CCCCCN)O	0.23	0.0
Compound_719	COc1ccc(c2c1cccc2)C#N	0.94	1.0
Compound_720	CCCc1nc(N)nc(n1)N	0.77	1.0
Compound_721	OC(=O)CCP(=O)(O)O	0.13	0.0
Compound_722	O=C1OC2(c3c1cccc3)c1ccccc1Oc1c2cccc1	0.98	1.0
Compound_723	CC(=C)CCOCC=C(C)C	0.41	0.0
Compound_724	OC1(c2ccccc2)c2ccccc2Oc2c1cccc2	0.95	1.0
Compound_725	BrC(c1ccccc1)(c1ccccc1)c1ccccc1	0.97	1.0
Compound_726	CCCOc1ccccc1C(=O)N	0.3	0.0
Compound_727	NC1=NC(=O)N2C1C2	0.01	0.0
Compound_728	CCOC(=O)CCC(=O)C(=O)OCC	0.89	1.0
Compound_729	CCCCCCc1ccc(cc1)c1ccccc1	0.92	1.0
Compound_730	CC(N(C(C)C)CCC(c1ccccc1)c1ccccc1)C	0.02	0.0
Compound_731	O=NN(CNC(=O)c1ccccc1)C	0.69	1.0
Compound_732	OC(CN(C)C)CN(C)C	0.06	0.0
Compound_733	Clc1ccc2c(c1)nc(cc2C)Cl	0.99	1.0
Compound_734	CCCCC(C(=O)OCC)(C(=O)OCC)CCCC	0.47	0.0
Compound_735	CCCCC(C(=O)OCC)(C(=O)OCC)CC	0.59	1.0
Compound_736	CCC(C1OCC(CO1)(C)C)CC	0.75	1.0
Compound_737	O=C(c1nccnc1N)OCc1ccccc1	0.15	0.0
Compound_738	CCN1CCN(C(=O)C1=O)C(=O)Cl	0.05	0.0
Compound_739	CCOC(=O)C(C(=O)C)(C)C	0.85	1.0
Compound_740	CCC(N(=O)=O)(CO)CO	0.7	1.0
Compound_741	Brc1ccc(cc1)Oc1cc(O)c2c(c1N)C(=O)c1c(C2=O)cccc1	0.92	1.0
Compound_742	C=CCC(C(=O)OCC)(C(=O)OCC)CC(C)C	0.7	1.0
Compound_743	OCC(C=O)(C)C	0.82	1.0
Compound_744	CCCCCc1ccc(cc1)OC(=O)c1ccc(cc1)c1ccc(cc1)CCCCC	0.96	1.0
Compound_745	CCCCc1ccc(cc1)C(=O)Oc1ccc(cc1)c1ccc(cc1)CCC	0.98	1.0
Compound_746	CCCCCc1ccc(cc1)c1ccc(cc1)OC(=O)c1ccc(cc1)CCCC	0.95	1.0
Compound_747	Brc1ccc(c(c1)Cl)C(=O)O	0.97	1.0
Compound_748	CCC(CC)(CC)O	0.78	1.0
Compound_749	NC(=O)C(CC(=O)N)(CC(=O)N)O	0.03	0.0
Compound_750	NCC(=O)OCC=C	0.78	1.0
Compound_751	CCC(=O)c1ccc(cc1)CC(C)C	0.97	1.0
Compound_752	CCCC(CC)(CC)O	0.79	1.0
Compound_753	CCCCCCCCCCCCCCCOP(=O)(O)O	0.93	1.0
Compound_754	CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCC	0.95	1.0
Compound_755	CCCCCCCCCCCCOC(=O)CCC(=O)OCCCCCCCCCCCC	0.8	1.0
Compound_756	Clc1ccc(c(c1)C(=O)N)Cl	0.72	1.0
Compound_757	CCCS(=O)(=O)CCC	0.69	1.0
Compound_758	CCCCS(=O)(=O)CCCC	0.7	1.0
Compound_759	[O-]C(=O)C1(CC1)C(=O)[O-]	0.1	0.0
Compound_760	BrC=C(Br)Br	0.96	1.0
Compound_761	C=C=C(C)C	0.86	1.0
Compound_762	CCC(=CC)C(=O)NC(=O)N	0.13	0.0
Compound_763	CC(=O)CBr	0.94	1.0
Compound_764	OCC(Cl)Cl	0.86	1.0
Compound_765	NCC(=O)N	0.06	0.0
Compound_766	OC(=O)C1CCNCC1	0.01	0.0
Compound_767	CC(=O)NCl	0.98	1.0
Compound_768	COC(=O)c1ccc(c(c1)C(=O)OC)O	0.85	1.0
Compound_769	CCCCCCCc1cnc(nc1)c1ccc(cc1)C#N	0.64	1.0
Compound_770	CCCCCc1cnc(nc1)c1ccc(cc1)C#N	0.71	1.0
Compound_771	CC(=O)CC(=O)c1ccc(cc1C(C)C)C(C)C	0.96	1.0
Compound_772	O=CC(C=C(Cl)Cl)(Cl)Cl	0.96	1.0
Compound_773	ClC(C(=O)c1ccc(cc1)Oc1ccccc1)Cl	1.0	1.0
Compound_774	Oc1ccc(c(c1)O)[C@@H]1COc2c(C1)ccc1c2C=CC(O1)(C)C	0.97	1.0
Compound_775	CC(C(C)C)N	0.74	1.0
Compound_776	ClC(C(Cl)C)Cl	0.97	1.0
Compound_777	ClC(=C)C(=O)O	0.91	1.0
Compound_778	OCCN(c1ccc(cc1)NC(=O)C)CC	0.17	0.0
Compound_779	Oc1ccc2c(c1)occc2=O	0.98	1.0
Compound_780	C/C=C(/C(C)(C)C)\C	0.79	1.0
Compound_781	COC(=O)C(C)(C)C	0.9	1.0
Compound_782	CN(Cc1cc(Cc2cc(CN(C)C)cc(c2O)CN(C)C)c(c(c1)CN(C)C)O)C	0.03	0.0
Compound_783	ClC(P(=O)(O)O)(Cl)Cl	0.36	0.0
Compound_784	CCCCOC(=O)C(Br)Br	0.98	1.0
Compound_785	CCCCOC(=O)C(Br)(Br)Br	0.98	1.0
Compound_786	Cc1cc(Cl)c(cc1S)C	0.93	1.0
Compound_787	CC(c1ccccc1)(c1ccccc1)O	0.98	1.0
Compound_788	Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)O)Nc1ccc(c(c1)S(=O)(=O)O)Cl	0.8	1.0
Compound_789	Cc1ccc(cc1)S(=O)(=O)N(C)C	0.92	1.0
Compound_790	SCCOC(=O)CCS	0.89	1.0
Compound_791	Cc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)C	0.56	1.0
Compound_792	CCCOS(=O)(=O)c1ccc(cc1)C	0.88	1.0
Compound_793	N#CCC(=O)C(C)(C)C	0.81	1.0
Compound_794	Clc1cc(ccc1NC1=NC(=O)c2c1cccc2)NC1=NC(=O)c2c1cccc2	0.05	0.0
Compound_795	ClP(OCC(Cl)(Cl)Cl)Cl	0.96	1.0
Compound_796	CCC(C(=O)O)O	0.28	0.0
Compound_797	COC(=O)CCCl	0.96	1.0
Compound_798	CCC(N(=O)=O)C	0.94	1.0
Compound_799	CCC(N(=O)=O)Cl	0.87	1.0
Compound_800	CC(CC(=O)N1CCCC1)C	0.33	0.0
Compound_801	Cc1cc(N=Nc2c(O)c(cc3c2cccc3)C(=O)Nc2ccccc2)c(cc1C(c1cc(C)c(cc1C)N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1ccccc1)c1ccccc1)C	0.28	0.0
Compound_802	OC(C(C)C)C(C)C	0.56	1.0
Compound_803	CCCCC#CCCCCCCCCO	0.98	1.0
Compound_804	CC(=O)Nc1cc(cc(c1O)C(C)(C)C)C(C)(C)C	0.88	1.0
Compound_805	CCCCCCCCCc1ccc(c(c1)Cl)O	0.83	1.0
Compound_806	CCN(C(C)C)CC	0.12	0.0
Compound_807	CCCCCCCCCCCCCC1CCCCC1	0.97	1.0
Compound_808	OCC(=C)c1ccccc1	0.97	1.0
Compound_809	CCCCCCCCCCCCCCCC1CCCCC1	0.97	1.0
Compound_810	N#CC(=O)c1cccs1	0.91	1.0
Compound_811	Cc1cc(C)c(c(c1)C)C1=NN(CC1)c1ccccc1	0.04	0.0
Compound_812	CCCCCCCCC(=O)c1ccccc1	0.87	1.0
Compound_813	S=C(N=Nc1ccccc1)NNc1ccccc1	0.9	1.0
Compound_814	CCCCCCCCCC(SSC(Cl)(Cl)Cl)(C)C	0.88	1.0
Compound_815	Clc1sc(c(c1Cl)Cl)Cl	0.97	1.0
Compound_816	CCCc1cccc(c1)N	0.88	1.0
Compound_817	CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(=O)C2)C)C	0.93	1.0
Compound_818	CCCCCCCCCC(=O)OCCCCCCC	0.95	1.0
Compound_819	COC(=O)c1ccc(=O)oc1	0.55	1.0
Compound_820	O=N(=O)c1c(Cl)cccc1Cl	0.67	1.0
Compound_821	O=N(=O)c1c(O)cccc1O	0.94	1.0
Compound_822	OC(=O)c1c(O)cccc1C(=O)O	0.2	0.0
Compound_823	ClC(=C(c1cc(N)c(cc1S(=O)(=O)N)S(=O)(=O)N)Cl)Cl	0.07	0.0
Compound_824	OCc1cc(Cl)cc(c1)Cl	0.48	0.0
Compound_825	ClCC(=O)N(c1ccc(cc1C(=O)c1ccccc1)Cl)C	0.77	1.0
Compound_826	O=N(=O)c1cccc2c1c(Cl)ccc2	0.97	1.0
Compound_827	O=N(=O)c1cccc2c1c(ccc2)N(=O)=O	1.0	1.0
Compound_828	O=N(=O)c1cccc(c1)/C=C/c1cnnc2c1cccc2	0.93	1.0
Compound_829	O=C(c1ccco1)CCn1c(CN2CCN(CC2)C/C=C/c2ccccc2)nc2c1cccc2	0.03	0.0
Compound_830	OCC(C(=O)OCC(COC(=O)C(CO)(C)C)(C)C)(C)C	0.76	1.0
Compound_831	c1ccc(cc1)c1c2ccccc2cc2c1cccc2	0.98	1.0
Compound_832	Nc1ccccc1n1cccc1	0.63	1.0
Compound_833	O=N(=O)c1c2ccccc2cc2c1cccc2	1.0	1.0
Compound_834	OC(=O)C1(CCCCC1)C1CCCCC1	0.15	0.0
Compound_835	ClCCCCCI	0.97	1.0
Compound_836	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC	0.95	1.0
Compound_837	CCCCCCCCCCCCOP(=S)(OCCCCCCCCCCCC)S	0.88	1.0
Compound_838	ClC(=C(c1cc(N)c(cc1S(=O)(=O)Cl)S(=O)(=O)Cl)Cl)Cl	0.87	1.0
Compound_839	O=N(=O)c1ccc2c3c1cccc3CC2	0.96	1.0
Compound_840	O=N(=O)c1cc(N(=O)=O)c(c(c1C)N(=O)=O)O	0.98	1.0
Compound_841	O=N(=O)c1ccc(c(c1C)N(=O)=O)C	0.97	1.0
Compound_842	Brc1ccc(cc1)c1ccc(cc1)C(=O)Cc1ccccc1	0.98	1.0
Compound_843	CNc1cccc2c1C(=O)c1c(C2=O)cccc1NC	0.92	1.0
Compound_844	CCOC(=O)n1nc(c2c1ccc(c2)C(F)(F)F)N	0.3	0.0
Compound_845	c1ccc(cc1)N(c1ccccc1)c1ccccc1	0.97	1.0
Compound_846	O=C1C=CC(=C(c2ccc(cc2)O)c2ccc(cc2)O)C=C1	0.99	1.0
Compound_847	CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC(C)C	0.92	1.0
Compound_848	NNC(=O)N(c1ccccc1)c1ccccc1	0.71	1.0
Compound_849	CCOC(=O)N(c1ccccc1)c1ccccc1	0.69	1.0
Compound_850	NC(=O)N(c1ccccc1)c1ccccc1	0.31	0.0
Compound_851	O=C1C=CC(=O)N1c1ccc2c3c1cccc3c1c2cccc1	0.22	0.0
Compound_852	COc1ccc(cc1O)c1oc2cc(O)cc(c2c(=O)c1O)O	0.94	1.0
Compound_853	O=C1NC(=O)c2c1cccc2N(=O)=O	0.24	0.0
Compound_854	CCOC(=O)C(C(=O)OCC)N(=O)=O	0.91	1.0
Compound_855	CCOC(=O)C(C(=O)C)C(=O)C	0.46	0.0
Compound_856	Cc1cc(C)cc(c1N(=O)=O)C	0.97	1.0
Compound_857	O=S1(=O)Nc2c3c1cccc3ccc2	0.93	1.0
Compound_858	Cn1ccc2c1cccc2	0.79	1.0
Compound_859	OC(=O)c1cccc(c1C)C	0.61	1.0
Compound_860	O=N(=O)c1cccc(c1O)Cl	0.95	1.0
Compound_861	CC(=O)OC(C1CCCCC1)(C)C	0.61	1.0
Compound_862	CNC1(C)C2CCC(C1(C)C)C2	0.02	0.0
Compound_863	CC(=O)OCCCC1CCCCC1	0.98	1.0
Compound_864	Clc1ccc2c(c1)C(=O)C(=O)N2C	0.94	1.0
Compound_865	CCCCCCCCc1ccc2c(c1)Sc1c(N2)ccc(c1)CCCCCCCC	0.76	1.0
Compound_866	COC(C=C)OC	0.78	1.0
Compound_867	CN1C2CCC1CC(C2)OC1c2ccccc2CCc2c1cccc2	0.0	0.0
Compound_868	C=CNC(=O)N1CCCCCC1=O	0.01	0.0
Compound_869	Oc1c(ccc2c1cccc2)c1ccc2c(c1O)cccc2	1.0	1.0
Compound_870	CC(N(C)C)CC(c1ccccc1)(c1ccccc1)C(=O)N	0.01	0.0
Compound_871	ClCc1cccc(c1C)N(=O)=O	0.81	1.0
Compound_872	O=CC1=C(C)CC=CC1	0.58	1.0
Compound_873	O=C1Nc2ccccc2CCc2c1cccc2	0.6	1.0
Compound_874	N#CC(=O)c1ccco1	0.78	1.0
Compound_875	OCCNCCNCCN(CCO)CCO	0.18	0.0
Compound_876	CCc1c(CC)c(CC)c(c(c1CC)CC)CC	0.67	1.0
Compound_877	BrN1C(=O)OCC1(C)C	0.96	1.0
Compound_878	CC(OC(=O)CC(C)(C)C)C	0.91	1.0
Compound_879	O=c1oc(=O)c2c(c3c1cccc3)cccc2	0.89	1.0
Compound_880	CCc1cc(CC)c(c(c1CC)CC)CC	0.67	1.0
Compound_881	c1ccc(cc1)c1cccc2c1cccc2	0.98	1.0
Compound_882	ClC(/C=C/c1ccccc1)(Cl)Cl	0.98	1.0
Compound_883	Clc1ccc2c(c1)C(=O)c1c(C2=O)c(ccc1Cl)N(=O)=O	0.93	1.0
Compound_884	O=c1cc(oc2c1c1ccccc1cc2)c1ccccc1	0.97	1.0
Compound_885	CCN(c1c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O)N(=O)=O	0.84	1.0
Compound_886	CCCCCCCCCCCCCCCCS(=O)(=O)c1ccc(cc1)N	0.54	1.0
Compound_887	CCCCCCC(c1cc(OC)cc(c1)OC)(C)C	0.76	1.0
Compound_888	O=C1c2cc(ccc2C(=O)c2c1cc(cc2)N(=O)=O)N(=O)=O	0.99	1.0
Compound_889	COC(=O)c1ncccc1C(=O)OC	0.17	0.0
Compound_890	N1CNCNCNC1	0.67	1.0
Compound_891	COc1cc2nc(nc(c2cc1OC)N)N1CCNCC1	0.0	0.0
Compound_892	Clc1c2ccccc2c(c2c1cccc2)Cl	0.98	1.0
Compound_893	CCCCCCCC(=O)OCC(CO)(CO)CO	0.5	0.0
Compound_894	CN1CCC(=CC1)C1(C)OCCO1	0.14	0.0
Compound_895	CCOCCOC(=O)c1ccccc1C(=O)OCCOCC	0.9	1.0
Compound_896	Oc1ccc2c(c1)ccc1c2cccc1	1.0	1.0
Compound_897	CCOC(=O)c1cc(ccc1OCc1ccccc1)C(=O)C	0.96	1.0
Compound_898	CCOC(=O)Cc1ccccc1OC	0.93	1.0
Compound_899	O=N(=O)c1ccc(c2c1cccc2)O	0.99	1.0
Compound_900	CCOC(=O)Cc1ccc(c(c1)OC)O	0.93	1.0
Compound_901	CN(c1cccc2c1cccc2S(=O)(=O)Cl)C	0.99	1.0
Compound_902	CCN(c1ccc(c(c1)NC(=O)C)N=Nc1ccc(cc1)C(=O)O)CC	0.07	0.0
Compound_903	O=N(=O)c1cc(N(=O)=O)c(c2c1cccc2)O	0.98	1.0
Compound_904	OC(=O)c1ccc(c2c1cccc2)C(=O)O	0.33	0.0
Compound_905	O=N(=O)c1cccc2c1cccc2N(=O)=O	1.0	1.0
Compound_906	Cc1ccc2c(n1)c1ccccc1cc2	0.99	1.0
Compound_907	CC(=O)Oc1cccc2c1cccc2OC(=O)C	0.95	1.0
Compound_908	OCCOc1c(Br)c(Br)c(c(c1Br)Br)Br	0.7	1.0
Compound_909	N[C@H](C(=O)O)C[C@@H](CCN)O	0.02	0.0
Compound_910	COC1=C(OC)C(=O)C(=CC1=O)C	0.35	0.0
Compound_911	O=c1[nH]c2c([nH]1)c(=O)[nH]c(=O)n2C	0.01	0.0
Compound_912	COC(=O)c1cc(Br)cc(c1N)Br	0.98	1.0
Compound_913	CCC[C@]1(O)CC[C@@H]2C1(C)CC[C@H]1C2CCC2=CC(=O)CCC12C	0.43	0.0
Compound_914	CCCSc1c(Cl)cnc(c1Cl)Cl	0.72	1.0
Compound_915	CCN(Cc1c(O)cc2c(c1O)c(=O)c(c(o2)c1ccc(c(c1)O)O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O)CC	0.12	0.0
Compound_916	Nc1c(cccc1N(=O)=O)N(=O)=O	0.81	1.0
Compound_917	O=C1CC(=O)c2c1cccc2	0.97	1.0
Compound_918	CCCCCCCCCCCCCOP(Oc1ccccc1)Oc1ccccc1	0.99	1.0
Compound_919	O=Cc1c(cccc1N(=O)=O)N(=O)=O	0.92	1.0
Compound_920	O=Cc1c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O	0.92	1.0
Compound_921	O=N(=O)c1cc(cc2c1cccc2)N(=O)=O	1.0	1.0
Compound_922	C=CCOc1nc(Nc2ccc(cc2)Nc2ccccc2)nc(n1)OCC=C	0.54	1.0
Compound_923	Oc1c([NH3+])ccc2c1cccc2	0.94	1.0
Compound_924	CCCCCCCCCCCC(=O)OCCS	0.98	1.0
Compound_925	SCCOC(=O)CCCC(=O)OCCS	0.87	1.0
Compound_926	SCCOC(=O)CCCCCCCCC(=O)OCCS	0.88	1.0
Compound_927	O=C([C@H](CCCN=C(N)N)N)OCc1ccccc1	0.07	0.0
Compound_928	O=C1c2cc3c(Br)c(Br)c(c(c3cc2C(=O)C1c1nc2ccccc2cc1O)Br)Br	0.99	1.0
Compound_929	OC(=O)c1ccccc1OP(=O)(O)O	0.03	0.0
Compound_930	CCCCCCCCCCCCCCCCCCCCC(=O)OC	0.95	1.0
Compound_931	CCCCCC(C(=O)OCC)C(=O)OCC	0.34	0.0
Compound_932	O=CCOCc1ccccc1	0.97	1.0
Compound_933	O=N(=O)c1c(N)ccc2c1cccc2	0.98	1.0
Compound_934	CCOC(=O)C(OCC)OCC	0.78	1.0
Compound_935	CC(NC(=O)CN1CCN(CC1)Cc1nc2c(n1CCC(=O)c1ccccc1)cccc2)C	0.01	0.0
Compound_936	O=N(=O)c1ccc(cc1)c1ccccc1N(=O)=O	1.0	1.0
Compound_937	CCOCCOC(=O)CCl	0.97	1.0
Compound_938	CCOC(=O)/C=C/c1ccc(cc1)/C=C/c1ccc(cc1)/C=C/C(=O)OCC	0.87	1.0
Compound_939	OC(=O)CC(c1ccccc1)c1ccccc1	0.72	1.0
Compound_940	c1ccc(cc1)CN(c1ccccc1)c1ccccc1	0.8	1.0
Compound_941	N#Cc1ccc(cc1)C(=O)Cl	0.92	1.0
Compound_942	O=CN(c1ccccc1)c1ccccc1	0.64	1.0
Compound_943	CC(c1cc2Cc3cc(cc(c3O)Cc3cc(cc(Cc4c(c(Cc(c1)c2O)cc(c4)C(C)(C)C)O)c3O)C(C)(C)C)C(C)(C)C)(C)C	0.98	1.0
Compound_944	Clc1ccc(c(c1)c1ccccc1)O	1.0	1.0
Compound_945	O=N(=O)c1ccc2c(c1O)cccc2	0.99	1.0
Compound_946	ONC1=c2ccccc2=NC1=O	0.04	0.0
Compound_947	O=C=NCc1cccc(c1)NC(=O)OCCOCCOC(=O)Nc1cccc(c1)CN=C=O	0.04	0.0
Compound_948	O=N(=O)c1cccc2c1ccnc2	0.97	1.0
Compound_949	O=N(=O)c1cccc2c1cccn2	0.95	1.0
Compound_950	O=N(=O)c1cccc2c1nccc2	0.91	1.0
Compound_951	OC(=O)Cc1ccc(c(c1)Cl)OCc1ccccc1	0.72	1.0
Compound_952	O=C1CCCN1CC1CC1	0.24	0.0
Compound_953	CC(c1c(Cl)cc(c(c1Cl)O)C)C	0.99	1.0
Compound_954	O=C(c1ccccc1)Oc1cccc2c1cccc2	0.99	1.0
Compound_955	CCCCCCCCCCCCCCCCCCOC(COCCCCCCCCCCCCCCCCCC)COCCCCCCCCCCCCCCCCCC	0.9	1.0
Compound_956	SCC(=O)Nc1ccc(cc1)Nc1ccccc1	0.61	1.0
Compound_957	Cc1cc(=O)c2c([nH]1)cccc2	0.81	1.0
Compound_958	ClC(C(=O)N=C=O)Cl	0.24	0.0
Compound_959	OCCNC(=O)N(CCCl)N=O	0.21	0.0
Compound_960	CCCCCCC1(CC)C(=O)NC(=S)NC1=O	0.05	0.0
Compound_961	CC(OC(=O)c1ccccc1O)C	0.92	1.0
Compound_962	c1ccc(nc1)Sc1nc2c(s1)cccc2	0.9	1.0
Compound_963	CCCOC(=O)c1ccccc1O	0.98	1.0
Compound_964	NC(=O)Cc1nc2c([nH]1)cccc2	0.11	0.0
Compound_965	CC(=O)Nc1c(Br)cc(cc1Br)Br	0.95	1.0
Compound_966	O=C1C=C(C)/C(=N\Nc2ccc(cc2)N(=O)=O)/C(=C1)O	0.34	0.0
Compound_967	Oc1cc(OCc2ccccc2)ccc1C(=O)c1ccccc1	0.99	1.0
Compound_968	NNC(=O)COc1ccc(cc1Br)C	0.26	0.0
Compound_969	Cc1ccc2c(c1)C(=O)C(=O)N2	0.3	0.0
Compound_970	CC(=O)Oc1c[nH]c2c1cccc2	0.86	1.0
Compound_971	CCCCCCC(OC(=O)C)CCCCCC	0.84	1.0
Compound_972	Cc1cccc(c1I)C	0.97	1.0
Compound_973	Brc1cccc(c1N)Br	0.98	1.0
Compound_974	Brc1cccc(c1O)Br	0.99	1.0
Compound_975	Oc1cc(C2CCCC2)c(cc1C1CCCC1)C1CCCC1	0.97	1.0
Compound_976	Oc1ccc2c(c1C(C)(C)C)CCCC2	0.93	1.0
Compound_977	Oc1c(cc2c(c1C1CCCC1)CCCC2)C1CCCC1	0.95	1.0
Compound_978	Cc1cc(C)c(cc1C1CCCC1)O	0.94	1.0
Compound_979	CC(c1cc(O)c(c(c1C)C)C(C)C)C	0.99	1.0
Compound_980	CC(c1c(C)cc(c(c1O)C(C)C)C)C	0.99	1.0
Compound_981	CC(c1cc(C(C)C)c(c(c1C)C(C)C)O)C	0.99	1.0
Compound_982	Oc1c(cc(c2c1CCCC2)C1CCCC1)C1CCCC1	0.95	1.0
Compound_983	Cc1cc(C)c(c(c1)O)C(C)C	0.99	1.0
Compound_984	Oc1c(ccc2c1CCCC2)C1CCCC1	0.96	1.0
Compound_985	Cc1cc(C)c(c(c1)O)C1CCCC1	0.92	1.0
Compound_986	Oc1c(C2CCCC2)c(C)cc(c1C1CCCC1)C	0.9	1.0
Compound_987	CC(c1cc(C)c(c(c1O)C(C)C)C)C	0.99	1.0
Compound_988	Cc1c(cc(c(c1C1CCCC1)O)C1CCCC1)C1CCCC1	0.91	1.0
Compound_989	CC(Cc1ccc(c2c1cccc2)C)C	0.99	1.0
Compound_990	Cc1c(N(=O)=O)c(C)cc(c1N(=O)=O)C	0.95	1.0
Compound_991	CC/C=C/CCc1ccc(o1)C	0.79	1.0
Compound_992	CC(=O)Nc1ccc(c(c1)N(=O)=O)N	0.75	1.0
Compound_993	Ic1c(I)c(I)c(c(c1I)I)I	0.97	1.0
Compound_994	[O-]C(=O)c1ccc(cc1)N1N=C(CC1=O)C	0.04	0.0
Compound_995	CCNc1ccc(cc1C)[N+]#N	0.76	1.0
Compound_996	ClCCOP(=O)(OCCCl)Cl	0.98	1.0
Compound_997	Oc1ccc2c(c1)ccc(c2)SSc1ccc2c(c1)ccc(c2)O	0.98	1.0
Compound_998	C#CCCC(=O)[O-]	0.63	1.0
Compound_999	CN1CCCC(C1)CN1c2ccccc2Sc2c1cccc2	0.0	0.0
Compound_1000	COC(=O)C(C(=O)OC)C	0.59	1.0