Index	SMILES	Probability	Label
Compound_1	CC(COC(=O)C=C(N)C)C	0.78	1.0
Compound_2	CN(CCC=C1c2ccccc2OCc2c1oc1c2cccc1)C	0.09	0.0
Compound_3	CC(=O)OC1C2(C)CCC(C1(C)C)C2	0.55	1.0
Compound_4	CC1CCC(C(C1O)C)C	0.27	0.0
Compound_5	Oc1cc2NCNS(=O)(=O)c2cc1S(=O)(=O)N	0.1	0.0
Compound_6	NS(=O)(=O)O	0.29	0.0
Compound_7	FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)O)(C(F)(F)F)F)(F)F	0.88	1.0
Compound_8	Cc1nc(N)nc(n1)N	0.83	1.0
Compound_9	CC1NCCN(C1)c1cc2n(cc(c(=O)c2cc1F)C(=O)O)c1ccc(cc1F)F	0.0	0.0
Compound_10	c1ccc2c(c1)OCC1(COc3c(N=C=N2)cccc3)COc2ccccc2N=C=Nc2c(OC1)cccc2	0.16	0.0
Compound_11	OC(=O)CS	0.88	1.0
Compound_12	FC1(F)C2(F)C(C3(C1(F)C(F)(F)C(C(C3(F)F)(F)F)(F)F)F)(F)C(F)(F)C(C(C2(F)F)(F)F)(F)F	0.82	1.0
Compound_13	CC(C(C)(C)C)NCCCCCCNC(C(C)(C)C)C	0.25	0.0
Compound_14	CCCCCCP(=O)(CCCCCC)CCCCCC	0.97	1.0
Compound_15	Brc1cc2Oc3c(Oc2cc1Br)cc(c(c3Br)Br)Br	1.0	1.0
Compound_16	CC(CCCC(C1CCC2C1(C)CCC1C2CCC2C1(C)CCC(=O)C2)C)C	0.86	1.0
Compound_17	CC(C1CCC(=O)CC1)(C)C	0.33	0.0
Compound_18	OC[C@H]1O[C@H]([C@@H]([C@@H]1O[C@H]1O[C@@H](CN)[C@H]([C@@H]([C@H]1N)O)O)O)O[C@@H]1[C@@H](O)[C@H](N)C[C@@H]([C@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1N)O)O)N	0.0	0.0
Compound_19	CCCCCCCCCCCCCCCCCC(=O)NCCO	0.74	1.0
Compound_20	ClC1=C(Cl)C2(C(C1(Cl)C1C2CCCC2C(C1)C1(Cl)C(=C(C2(C1(Cl)Cl)Cl)Cl)Cl)(Cl)Cl)Cl	0.95	1.0
Compound_21	CCOCC1CCC(CC1)COCC	0.99	1.0
Compound_22	O=C(c1cccnc1)OC1C(OC(=O)c2cccnc2)C(OC(=O)c2cccnc2)C(C(C1OC(=O)c1cccnc1)OC(=O)c1cccnc1)OC(=O)c1cccnc1	0.04	0.0
Compound_23	O=C1C=CC(=O)C=C1	0.83	1.0
Compound_24	OCC1COC2(O1)CC(C)CCC2C(C)C	0.18	0.0
Compound_25	CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2	0.0	0.0
Compound_26	CC(c1ccc(cc1)Oc1ccc(cc1)C(CC(C)(C)C)(C)C)(CC(C)(C)C)C	0.99	1.0
Compound_27	O=C1C(N)C2N1C(=C(CS2)Cl)C(=O)O	0.01	0.0
Compound_28	CCCCCCCCCCCCCCCCCCOC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.7	1.0
Compound_29	OC(=O)CCc1ccc2c(c1)ccc(c2)O	0.68	1.0
Compound_30	O=C(N[C@H](C(=O)O)C[C@@H]1CC1=C)CC[C@@H](C(=O)O)N	0.01	0.0
Compound_31	CC[C@@]1(O)C(=O)OCc2c1cc1c3nc4ccc(c(c4cc3Cn1c2=O)CN(C)C)O	0.06	0.0
Compound_32	Cc1cc(N)nc(n1)C	0.69	1.0
Compound_33	O[C@@H]([C@@H](NC(=O)c1cccc(c1C)O)CSc1ccccc1)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C	0.03	0.0
Compound_34	CC(=O)C	0.99	1.0
Compound_35	Oc1ccc(cc1N)S(=O)(=O)Nc1ccccc1	0.26	0.0
Compound_36	CNCc1csc(n1)C(C)C	0.14	0.0
Compound_37	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	0.96	1.0
Compound_38	CCN(CC(C[N+]12[C@H](O)[C@@H](CC)[C@@H]3C4[C@@H]1C[C@@]1([C@H]([C@@H]2C3)N(C)c2c1cccc2)C4O)O)CC	0.0	0.0
Compound_39	CCN(CCOCCC1=CCC2CC1C2(C)C)CC	0.32	0.0
Compound_40	CP(=O)(Oc1ccccc1)Oc1ccccc1	0.99	1.0
Compound_41	N#CCCN(C)C	0.3	0.0
Compound_42	COC(=O)c1ccc(c(c1)N)C(=O)OC	0.45	0.0
Compound_43	CCCCC(COP(=S)(OCC(C)C)S)CC	0.83	1.0
Compound_44	COC(=O)c1ccc(cc1)C	0.96	1.0
Compound_45	FC(c1nnc(s1)S(=O)(=O)C)(F)F	0.94	1.0
Compound_46	COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N	0.03	0.0
Compound_47	CCCCN1C[C@H](O)[C@H]([C@@H]([C@H]1CO)O)O	0.01	0.0
Compound_48	OC(=O)c1cc(ccc1OCC(F)(F)F)OCC(F)(F)F	0.52	1.0
Compound_49	CC(=C)C(=O)OCCc1ccc(c(c1)n1nc2c(n1)cccc2)O	0.24	0.0
Compound_50	OC(=O)C(Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C	0.89	1.0
Compound_51	Clc1ccc(c(c1)N(=O)=O)N=NC(C(=O)Nc1ccccc1Cl)C(=O)C	0.88	1.0
Compound_52	CCCCCCCCCCNC(=O)c1ccc(cc1)N(=O)=O	0.35	0.0
Compound_53	ClC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)Cl	0.97	1.0
Compound_54	BrC1CC=CC=CCC(C(CCC1Br)Br)Br	0.99	1.0
Compound_55	Cc1ccc2c(c1)C(C)(C)C(=O)C2(C)C	0.99	1.0
Compound_56	Clc1ccc(cc1)OCCOC(=C(n1cncc1)C)c1ccc(cc1Cl)Cl	0.17	0.0
Compound_57	NCc1ccccc1N	0.82	1.0
Compound_58	FC(C(F)(F)F)OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F	0.8	1.0
Compound_59	CSc1ccc(cc1)C(=O)C(N1CCOCC1)(C)C	0.9	1.0
Compound_60	NS(=O)(=O)c1cccs1	0.64	1.0
Compound_61	ClCCCCOC(=O)CCCl	0.97	1.0
Compound_62	CCc1ccc2c(c1)N(CC(CN(C)C)C)c1c(S2)cccc1	0.02	0.0
Compound_63	CC(OC(=O)C(=C)C#N)CCCCCC	0.95	1.0
Compound_64	C1CCN(CC1)CCc1onc(n1)CC(c1ccccc1)c1ccccc1	0.04	0.0
Compound_65	CCCCCCCCC=CCCCCCCCCCCCC(=O)NCCCN(C)C	0.36	0.0
Compound_66	CC(CC(N(c1cccc2c1cccc2)c1ccccc1)(C)C)(C)C	0.96	1.0
Compound_67	CC(c1cc(C)cc(c1OP1OCC2(CO1)COP(OC2)Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C)C(C)(C)C)(C)C	0.91	1.0
Compound_68	Cc1ccccc1OP(=S)(Oc1ccccc1C)S	0.87	1.0
Compound_69	CCCC[N+](CCCCCC[N+](C)(C)C)(C)C	0.52	1.0
Compound_70	OC(c1c(Br)c(Br)c(c(c1Br)Br)Br)Cc1c(Br)c(Br)c(c(c1Br)Br)Br	0.78	1.0
Compound_71	CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1onc(c1C)C	0.05	0.0
Compound_72	Oc1ccc(c(c1)C(F)(F)F)N(=O)=O	0.99	1.0
Compound_73	O=C1CCC(=O)O1	0.85	1.0
Compound_74	Clc1cc(ccc1Cl)NC(=O)c1c(O)n(C)c(=O)n(c1=O)C	0.02	0.0
Compound_75	Clc1cc(cc(c1O)Cl)c1ccccc1	1.0	1.0
Compound_76	COc1ccccc1NC(=O)c1ccc(cc1O)O	0.59	1.0
Compound_77	O=C=NC(c1cccc(c1)C(N=C=O)(C)C)(C)C	0.88	1.0
Compound_78	COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@]1(O)CC)OC1OC(C)C(C(C1)N(C)C)OC1CC(O)C(C(O1)C)OC1CCC(=O)C(O1)C)O)C(=O)c1c(C3=O)cccc1O	0.31	0.0
Compound_79	O=C(NS(=O)(=O)c1ccc(cc1)C)Nc1ccccc1	0.16	0.0
Compound_80	COCOC	0.99	1.0
Compound_81	CCCCCCCCCCCCCCCCCC(=O)N	0.79	1.0
Compound_82	CCOC(=O)C(C(=O)C)C#N	0.82	1.0
Compound_83	C=C1CCC2CC1C2(C)C	0.91	1.0
Compound_84	CC(c1ccccc1)C=CC(c1ccccc1)C	0.98	1.0
Compound_85	CSc1c(C)cc(cc1C)O	0.92	1.0
Compound_86	OCCC(C(F)(F)F)(F)F	0.97	1.0
Compound_87	COP(=S)(Oc1ccc(c(c1)C)N(=O)=O)OC	0.99	1.0
Compound_88	CCCCC(COC(=O)C=CC(=O)OCC(CCCC)CC)CC	0.73	1.0
Compound_89	CCCCC(C(=O)OCC(COC(=O)C(CCCC)CC)(COC(=O)C(CCCC)CC)COC(=O)C(CCCC)CC)CC	0.56	1.0
Compound_90	CCN(CCCNc1nc(nc(n1)NCCCN(CC)CC)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)c1ccc(c2c1C(=O)c1ccccc1C2=O)Nc1nc(NCCCN(CC)CC)nc(n1)NCCCN(CC)CC)CC	0.02	0.0
Compound_91	COC(=O)C(c1ncc(cc1Cl)C(F)(F)F)(C(=O)OC)CNC(=O)c1ccccc1C(F)(F)F	0.07	0.0
Compound_92	OC[C@@]12[C@H](O)C[C@@H](C[C@@]2(O)CC[C@@H]2[C@@H]1[C@H](O)C[C@]1([C@]2(O)CC[C@@H]1C1=CC(=O)OC1)C)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O	0.04	0.0
Compound_93	OC(=O)C(CBr)Br	0.84	1.0
Compound_94	COc1nccc(c1S(=O)(=O)Cl)C(F)(F)F	0.9	1.0
Compound_95	CCOC(=O)C(=NNc1ccc(cc1)N(=O)=O)C(=O)c1sc2n(n1)c1ccccc1c(=O)n2	0.23	0.0
Compound_96	CCCc1nn(c2c1nc([nH]c2=O)c1cc(ccc1OCC)S(=O)(=O)N1C[C@H](C)N[C@@H](C1)C)C	0.1	0.0
Compound_97	O=C1CCCCCCCCCCC(=O)CC(C1)C	0.96	1.0
Compound_98	Clc1cc(ccc1Oc1ccc(c(c1)O)O)C(F)(F)F	0.97	1.0
Compound_99	CC1(C)CCCC2(C1CCC1(C2CCO1)C)C	0.63	1.0
Compound_100	ClC(=O)C1(C)CCCCC1	0.95	1.0
Compound_101	COC(=O)c1nc(Cl)cc(c1Cl)NC(=O)C	0.7	1.0
Compound_102	COc1ccc(cc1)N1CCNCC1	0.02	0.0
Compound_103	O=C(c1ncccc1C)NC(C)(C)C	0.33	0.0
Compound_104	CCCCCCCCC1CO1	0.97	1.0
Compound_105	CCCCC(c1ccc(cc1)O)(c1ccc(cc1)O)CCCC	0.97	1.0
Compound_106	CCCCCCCCCCCC(=O)N[C@H](C(=O)O)CCC(=O)O	0.04	0.0
Compound_107	C1CCCCCC2=C(CCCC1)OCCC2	0.93	1.0
Compound_108	OCC1OC(Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(c(c2)O)O)C(C(C1O)O)O	0.66	1.0
Compound_109	CCC(Nc1ccc(cc1)NC(CC)C)C	0.61	1.0
Compound_110	CCCCCCCCCCCCN(CCCN)CCCN	0.66	1.0
Compound_111	N=c1[nH]c2c(s1)cc(c(c2)Cl)Cl	0.3	0.0
Compound_112	Clc1cc(Cl)c(c(c1)Cl)Cl	0.25	0.0
Compound_113	OCN1C(=O)CN(C1=O)N=Cc1ccc(o1)N(=O)=O	0.02	0.0
Compound_114	O=C(Nc1ccc(cc1)CON=C(c1ccc(cc1)Cl)C1CC1)NC(=O)c1c(F)cccc1F	0.1	0.0
Compound_115	COC(=O)c1csc(c1C)C	0.6	1.0
Compound_116	ClCC(=O)OC(=O)CCl	0.9	1.0
Compound_117	c1ccc(cc1)c1noc(n1)c1cccs1	0.2	0.0
Compound_118	CCC(OC(=O)CC(C(S(=O)(=O)O)C(=O)OC(COCC(C(F)(F)F)(F)F)CC)C(=O)OC(COCC(C(F)(F)F)(F)F)CC)COCC(C(F)(F)F)(F)F	0.78	1.0
Compound_119	CC(CCCCCCCCCCOC(=O)c1cc(ccc1C(=O)OCCCCCCCCCCC(C)C)C(=O)OCCCCCCCCCCC(C)C)C	0.93	1.0
Compound_120	COCCOC(=O)Nc1ccc(c(c1)NC(=O)OCCOC)C	0.09	0.0
Compound_121	CCCOC(=O)C	0.98	1.0
Compound_122	CCOC(C(=O)N(CCN(CCc1ccccc1)C)C)(c1ccccc1)c1ccccc1	0.06	0.0
Compound_123	O=CN1CCCCC1	0.38	0.0
Compound_124	COc1ccc(cc1N(=O)=O)c1ccccc1	0.99	1.0
Compound_125	CCCOc1ccc2c(c1)[nH]c(n2)NC(=O)OC	0.1	0.0
Compound_126	OCCC(CCO)C	0.93	1.0
Compound_127	FC(C(Oc1c(Cl)cc(cc1Cl)N)(F)F)F	0.95	1.0
Compound_128	O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F	0.74	1.0
Compound_129	COc1ccccc1	0.9	1.0
Compound_130	O=N(=O)c1c(Cl)c(cc(c1Cl)N)C(F)(F)F	0.86	1.0
Compound_131	O=C(c1ccccc1)OC(COc1cccc2c1cc([nH]2)C)CNC(C)(C)C	0.01	0.0
Compound_132	Clc1ccc(c(c1)N(=O)=O)C	0.3	0.0
Compound_133	C=CCCCCCCCCC(=O)NCCCN(C)C	0.17	0.0
Compound_134	COc1ccc(cc1NC(=O)C)C	0.79	1.0
Compound_135	OC(=O)C=Cc1cccc(n1)C(=CCN1CCCC1)c1ccc(cc1)C	0.02	0.0
Compound_136	CCCCCCC#C	0.98	1.0
Compound_137	CC(=O)OCC(C=NCC1(C)CC(N=CC(COC(=O)C)(C)C)CC(C1)(C)C)(C)C	0.2	0.0
Compound_138	O=CN1[C@@H](CNc2ccc(cc2)C(=O)N[C@@H](C(=O)O)CCC(=O)O)CNc2c1c(=O)nc([nH]2)N	0.0	0.0
Compound_139	OCC(CO)(C)C	0.38	0.0
Compound_140	COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)C(OC1CC(N)C(C(O1)C)O)CC(C2)(O)C(=O)C	0.21	0.0
Compound_141	CCC(=O)c1ccc(cc1)O	0.99	1.0
Compound_142	CCCN1C[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]([C@H](C([C@H]([C@](C[C@H]1C)(C)O)O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)N(C)C)C)O[C@@H]1O[C@@H](C)[C@@H]([C@](C1)(C)OC)O)C	0.02	0.0
Compound_143	OCCN1C(=O)CN=C(c2c1ccc(c2)Cl)c1ccccc1F	0.01	0.0
Compound_144	CC(=O)NCC1(CCN(CC1)CCCC(=O)c1ccc(cc1)F)c1ccccc1	0.01	0.0
Compound_145	COc1ccc(nn1)N(S(=O)(=O)c1ccc(cc1)N)C(=O)C	0.36	0.0
Compound_146	COc1ccc(cc1N)N(=O)=O	0.99	1.0
Compound_147	ClNc1nc(NCl)nc(n1)NCl	0.93	1.0
Compound_148	O=Cc1ccco1	0.85	1.0
Compound_149	CC[C@H](C(=O)O[C@@H]1[C@H](OC(=O)C)c2c(OC1(C)C)ccc1c2oc(=O)cc1)C	0.88	1.0
Compound_150	O=C1OCC(C)(C)COC(=O)C2C1CC=CC2	0.7	1.0
Compound_151	NCCCCCCCCN	0.71	1.0
Compound_152	Clc1nc(Cl)c(c(c1Cl)Cl)Cl	0.99	1.0
Compound_153	N#CCCCCC#N	0.93	1.0
Compound_154	O=N(=O)c1cc(cc(c1C(=O)O)N(=O)=O)N(=O)=O	0.49	0.0
Compound_155	C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CCCC[C@H]12	0.1	0.0
Compound_156	CC1CC(C)(C)c2c(C1(C)C)cc(c(c2)C(=O)C)C	0.99	1.0
Compound_157	CN1CCC(CC1)C1(O)c2ccc(cc2CCc2c1nccc2)Cl	0.01	0.0
Compound_158	CC(CCCCCCCCCCOP(OCCCCCCCCCCC(C)C)OCCCCCCCCCCC(C)C)C	0.98	1.0
Compound_159	CCCCOC(=O)C(=O)C1C(C)CC2C1(C)CC(O)C1C2CC(C2=CC(=O)C=CC12C)F	0.58	1.0
Compound_160	CCOc1cc2ncc(c(c2cc1N)Nc1ccc(c(c1)Cl)OCc1ccccn1)C#N	0.64	1.0
Compound_161	COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)C=Cc1cc(OC)c(c(c1)OC)OC	0.15	0.0
Compound_162	CCOC1=CC2=CC[C@@H]3[C@@H]([C@H]2CC1)CC[C@]1([C@H]3CCC1=O)C	0.42	0.0
Compound_163	COc1ccc(cc1)C=O	0.96	1.0
Compound_164	NC(=N)N1CCc2c(C1)cccc2	0.0	0.0
Compound_165	CCC(=O)c1ccccc1O	0.97	1.0
Compound_166	CCC(c1cc(C(CC)C)c(c(c1)C(CC)C)O)C	0.87	1.0
Compound_167	O=Cc1ccccc1Nc1c(Cl)cccc1Cl	0.97	1.0
Compound_168	COc1cc(ccc1O)C=C1CCCC(=Cc2ccc(c(c2)OC)O)C1=O	0.82	1.0
Compound_169	Nc1ccc(cc1)CCc1ccc(cc1)N	0.97	1.0
Compound_170	CC1CC=CC=CC=CC=CC(OC2OC(C)C(C(C2O)N)O)CC2OC(CC(CC3C(C=CC(=O)O1)O3)O)(O)CC(C2C(=O)O)O	0.01	0.0
Compound_171	CCOC(=O)C(=C)C#N	0.94	1.0
Compound_172	CO[C@H]1[C@@H](O)C[C@@H](O[C@@H]1C)O[C@H]1[C@@H](O)C[C@@H](O[C@@H]1C)O[C@H]1[C@@H](O)C[C@@H](O[C@@H]1C)O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2([C@]1(O)CCC2C1=CC(=O)OC1)C)C	0.14	0.0
Compound_173	OCC[C@@H](CCC=C(C)C)C	0.19	0.0
Compound_174	CCCCCCCCCCCC(=O)OC(C)C	0.9	1.0
Compound_175	O=N(=O)c1ccc(c(c1)N(=O)=O)Cl	0.68	1.0
Compound_176	CCC1=CC2CN(C1)Cc1c3ccccc3[nH]c1[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N([C@@H]1[C@@]32CCN2[C@H]3[C@@](CC)(C=CC2)[C@H]([C@]1(O)C(=O)OC)OC(=O)C)C	0.07	0.0
Compound_177	O=C(C1=C(C)OCCS1(=O)=O)Nc1ccccc1	0.34	0.0
Compound_178	Clc1ccc(cc1)Oc1cccc(c1)Cl	0.99	1.0
Compound_179	CCCCCn1cc(c2c1cccc2)C(=O)c1ccc(cc1)OC	0.64	1.0
Compound_180	CCCCCCCCCCCCS	0.98	1.0
Compound_181	CCCn1c(Cl)c(CC)c(=O)n(c1=O)CC	0.12	0.0
Compound_182	CCCCCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCCCC	0.96	1.0
Compound_183	Nc1ccc(cc1)Cc1ccc(cc1)N	0.99	1.0
Compound_184	CC(OC(=O)C[C@H]1C[C@@H](CCn2c(C(C)C)c(c(c2c2ccc(cc2)F)c2ccccc2)C(=O)Nc2ccccc2)OC(O1)(C)C)C	0.09	0.0
Compound_185	CCC(=O)OCCc1ccccc1	0.96	1.0
Compound_186	CO[C@@H]1CC[C@@](CC1)(NC(=O)Cc1cc(C)ccc1C)C(=O)OC	0.02	0.0
Compound_187	BrCc1ccc(cc1)I	0.97	1.0
Compound_188	OCNC(=O)CCl	0.83	1.0
Compound_189	CCCCCC(COC(=O)C=C)CCC	1.0	1.0
Compound_190	O=N(=O)c1ccc(cc1)S(=O)(=O)O	0.85	1.0
Compound_191	O=Cc1ccncc1	0.98	1.0
Compound_192	CCCCOCN(c1c(CC)cccc1CC)C(=O)CCl	0.99	1.0
Compound_193	CC[C@H]1CCC[C@H](O[C@H]2CC[C@@H]([C@H](O2)C)N(C)C)[C@@H](C)C(=O)C2=C[C@@H]3[C@H]([C@@H]2CC(=O)O1)C=C(C)[C@H]1[C@H]3C[C@@H](C1)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1OC)OC)OC	0.02	0.0
Compound_194	CCCCCC=CCC=CCCCCCCCC(=O)NCCO	0.75	1.0
Compound_195	Nc1cc(N(=O)=O)c(c(c1)N(=O)=O)C	0.9	1.0
Compound_196	O=N(=O)c1ccc(c(c1)O)N	0.87	1.0
Compound_197	OCc1ccc(cc1Cl)Cl	0.13	0.0
Compound_198	CCN(c1ccccc1)CC	0.74	1.0
Compound_199	CCOC(=O)OOC(=O)OCC	0.83	1.0
Compound_200	CN(CCC=C1c2ccccc2C=Cc2c1cccc2)C	0.0	0.0