Index	SMILES	Probability	Label
Compound_1	Nc1ccc(cc1)S(=O)(=O)Nc1cncc(n1)Cl	0.17	0.0
Compound_2	Nc1ccc(cc1)S(=O)(=O)Nc1ccc(nn1)Cl	0.06	0.0
Compound_3	NC(=N)NS(=O)(=O)c1ccc(cc1)N	0.13	0.0
Compound_4	Nc1ccc(cc1)S(=O)(=O)Nc1nccc(n1)C	0.02	0.0
Compound_5	Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)C	0.02	0.0
Compound_6	Nc1ccc(cc1)S(=O)(=O)Nc1oc(c(n1)C)C	0.05	0.0
Compound_7	Nc1ccc(cc1)S(=O)(=O)N	0.02	0.0
Compound_8	CCN(CCSCC(=O)O[C@@H]1C[C@@](C)(C=C)[C@@H](O)[C@@H]([C@]23[C@H]([C@@]1(C)[C@H](C)CC2)C(=O)CC3)C)CC	0.0	0.0
Compound_9	CCCS(=O)c1ccc2c(c1)nc([nH]2)NC(=O)OC	0.24	0.0
Compound_10	Fc1cccc(c1Cn1cnc2c1ncnc2N)Cl	0.43	0.0
Compound_11	Cc1nc(C)c(c(c1Cl)O)Cl	0.98	1.0
Compound_12	CCOc1cc(ccc1C(=O)OC)NC(=O)C	0.3	0.0
Compound_13	CCN([C@H](Cc1ccc(cc1)OC)C)CCCC(=O)N1CCC(CC1)C(=O)N(C)C	0.06	0.0
Compound_14	N=C(N/N=C/c1ccc(cc1)Cl)N/N=C/c1ccc(cc1)Cl	0.23	0.0
Compound_15	OC(c1cc(Cl)c(c(c1)C(F)(F)F)N)CNC(C)(C)C	0.02	0.0
Compound_16	CC(NCC(c1ccc(cc1)O)O)CCc1ccc(cc1)O	0.0	0.0
Compound_17	Cc1cnc(s1)/N=C(/C1=C(O)c2ccccc2S(=O)(=O)N1C)\O	0.03	0.0
Compound_18	Oc1cnc(c(c1)C(=O)O)Nc1cccc(c1C)C(F)(F)F	0.07	0.0
Compound_19	O=C(Nc1cccc(c1)C1=NCCN1)Nc1cccc(c1)C1=NCCN1	0.03	0.0
Compound_20	Brc1cc(CN(C2CCCCC2)C)c(c(c1)Br)N	0.01	0.0
Compound_21	Nc1ncc(c(n1)N)Cc1cc(C)c(c2c1cccn2)N(C)C	0.35	0.0
Compound_22	CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C2=O)c2c(c(c3C)O)c(O)c(c3c2nc2n3ccc(c2)C)NC(=O)/C(=C\C=C\[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]1C)OC(=O)C)C)O)C)O)C)/C	0.02	0.0
Compound_23	CCC[C@H]1CN([C@@H](C1)C(=N[C@@H]([C@H]1O[C@H](SC)[C@@H]([C@H]([C@H]1O)O)O)[C@H](O)C)O)C	0.01	0.0
Compound_24	Fc1ccc(cc1)C(=O)CCCN1CCC(=CC1)n1c(O)nc2c1cccc2	0.01	0.0
Compound_25	CCN(CC(=O)Nc1c(C)cccc1C)CC	0.01	0.0
Compound_26	OCC(=O)C1(O)CCC2C1(C)CC(=O)C1C2CCC2C1(C)CCC(C2)O	0.19	0.0
Compound_27	CCCc1cc(O)nc(n1)S	0.42	0.0
Compound_28	CN[C@H]1CC[C@H](c2c1cccc2)c1ccc(c(c1)Cl)Cl	0.94	1.0
Compound_29	COc1ccc(cc1)C(C1(O)CCCCC1)CN(C)C	0.01	0.0
Compound_30	CN(CCC=C1c2ccccc2CCc2c1cccc2)C	0.0	0.0
Compound_31	Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2	0.0	0.0
Compound_32	Clc1ccc2c(c1)C(=NC(C(=O)N2)O)c1ccccc1Cl	0.02	0.0
Compound_33	N#Cc1ccc2c(c1)COC2(CCCN(C)C)c1ccc(cc1)F	0.91	1.0
Compound_34	CN1CCN(CC1)C1=Nc2ccccc2Nc2c1cc(s2)C	0.0	0.0
Compound_35	Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2c(c1)OCO2	0.94	1.0
Compound_36	CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C	0.01	0.0
Compound_37	CC(=O)O[C@H]1C=C[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1OC(=O)C	0.03	0.0
Compound_38	OC1=Nc2ccc(cc2C(=NC1)c1ccccc1)N(=O)=O	0.13	0.0
Compound_39	C/N=C/1\Nc2ccc(cc2C(=N(=O)C1)c1ccccc1)Cl	0.01	0.0
Compound_40	NCCOCC1=C(C(=O)OCC)C(C(=C(N1)C)C(=O)OC)c1ccccc1Cl	0.01	0.0
Compound_41	CCC(=O)N(c1ccccc1)C1CCN(CC1)CCc1ccccc1	0.01	0.0
Compound_42	O=C1CCCCC1(N)c1ccccc1Cl	0.2	0.0
Compound_43	CN1CCN2C(C1)c1ccccc1Cc1c2ncc(c1)O	0.0	0.0
Compound_44	N[C@H]1CC[C@H](c2c1cccc2)c1ccc(c(c1)Cl)Cl	0.17	0.0
Compound_45	CC(=O)O[C@H]1C=C[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1O	0.07	0.0
Compound_46	CCCCCc1cc(O)c2c(c1)OC([C@H]1[C@H]2C=C(C)CC1)(C)C	0.01	0.0
Compound_47	COC(=O)[C@H]1[C@@H](O)CC2N(C1CC2)C	0.01	0.0
Compound_48	CCN(C(=O)C1CN(C)C2C(=C1)c1cccc3c1c(C2)c[nH]3)CC	0.03	0.0
Compound_49	CC(C(=O)c1ccc(cc1)C)N1CCCC1	0.06	0.0
Compound_50	Cc1cc(=O)[nH]c(=S)[nH]1	0.38	0.0
Compound_51	COc1nc(C)nc(n1)N	0.78	1.0
Compound_52	N=CN(c1ccc(cc1C)C)C	0.47	0.0
Compound_53	Nc1nc(N)nc(n1)Cl	0.98	1.0
Compound_54	CCOCN(c1c(C)cccc1CC)C(=O)CS(=O)(=O)O	0.97	1.0
Compound_55	CCc1cccc(c1N1C(C)COCC1=O)C	0.48	0.0
Compound_56	NC(=N)c1ccccc1	0.25	0.0
Compound_57	CN1CCN(C1=O)C	0.11	0.0
Compound_58	CNC(=O)CSP(=O)(OC)OC	0.84	1.0
Compound_59	COP(=O)(NC(=O)C)SC	0.91	1.0
Compound_60	CN=C(C=C(OP(=O)(OC)OC)C)O	0.56	1.0
Compound_61	CSc1ccc(cc1C)OP(=S)(OC)OC	0.98	1.0
Compound_62	CCOCN(c1c(C)cccc1CC)C(=O)CCl	0.99	1.0
Compound_63	CCN(C(=O)C(Oc1cccc2c1cccc2)C)CC	0.41	0.0
Compound_64	CCOC(=O)Nc1cccc(c1)OC(=O)Nc1ccccc1	0.59	1.0
Compound_65	CN(C1CSSSC1)C	0.16	0.0
Compound_66	C=CCN(C(=O)C(Cl)Cl)CC=C	0.72	1.0
Compound_67	NCCc1ccc(cc1)O	0.02	0.0
Compound_68	NCCCCNC(=N)N	0.56	1.0
Compound_69	Oc1ccc2c(c1/N=N/c1ccccc1)cccc2	0.63	1.0
Compound_70	Oc1ccc2c(c1/N=N/c1ccc(cc1)N=Nc1ccccc1)cccc2	0.79	1.0
Compound_71	OC(=O)C[C@@H](C(=O)N[C@@H](C(=O)NC1C(C)(C)SC1(C)C)C)N	0.0	0.0
Compound_72	Nc1ccc(c(c1)Cl)Cl	0.99	1.0
Compound_73	OC(=O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl	0.01	0.0
Compound_74	COc1cc2O[C@@H]3[C@H](c2c2c1c1CCC(=O)c1c(=O)o2)C=CO3	0.79	1.0
Compound_75	COc1cc2OC3C(c2c2c1c1CCOC(=O)c1c(=O)o2)CCO3	0.69	1.0
Compound_76	COc1cc2O[C@@H]3[C@@](c2c2c1c1CCC(=O)c1c(=O)o2)(O)C=CO3	0.8	1.0
Compound_77	CNC(=O)O/N=C/C(SC)(C)C	0.26	0.0
Compound_78	CNC(=O)O/N=C/C(S(=O)(=O)C)(C)C	0.06	0.0
Compound_79	CNC(=O)O/N=C/C(S(=O)C)(C)C	0.08	0.0
Compound_80	O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2O)C)C1)C	0.15	0.0
Compound_81	Fc1ccc(cc1)C(CCCN1CCN(CC1)c1ccccn1)O	0.01	0.0
Compound_82	Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccccn1	0.0	0.0
Compound_83	CCC(=O)O[C@@]1([C@@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)Cl)C(=O)COC(=O)CC	0.46	0.0
Compound_84	OC(=O)Cn1c(=O)sc2c1c(Cl)ccc2	0.36	0.0
Compound_85	CCCCNC(=O)n1c(NC(=O)OC)nc2c1cccc2	0.01	0.0
Compound_86	CC1COc2c(N1C(=O)C(Cl)Cl)cccc2	0.59	1.0
Compound_87	CC(OP(=S)(OC(C)C)SCCNS(=O)(=O)c1ccccc1)C	0.11	0.0
Compound_88	CCON=C(c1c(OC)ccc(c1OC)Cl)OC(=O)c1ccccc1	0.25	0.0
Compound_89	COC(=O)c1cc(ccc1N(=O)=O)Oc1ccc(cc1Cl)Cl	0.93	1.0
Compound_90	OC(C(C)(C)C)C(n1cncn1)Oc1ccc(cc1)c1ccccc1	0.96	1.0
Compound_91	OC(c1cc(Br)c(c(c1)Br)N)CNC(C)(C)C	0.01	0.0
Compound_92	CCCC1O[C@H]2[C@](O1)(C(=O)CO)[C@@]1([C@@H](C2)[C@@H]2CCC3=CC(=O)C=C[C@@]3([C@H]2[C@H](C1)O)C)C	0.91	1.0
Compound_93	CC(N1/C(=N/C(C)(C)C)/SCN(C1=O)c1ccccc1)C	0.15	0.0
Compound_94	CCC(Nc1c(cc(cc1N(=O)=O)C(C)(C)C)N(=O)=O)C	0.81	1.0
Compound_95	CCOP(=O)(SC(CC)C)SC(CC)C	0.98	1.0
Compound_96	CO/N=C(\c1csc(n1)N)/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)COC(=O)C	0.0	0.0
Compound_97	CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[n+]1cccc2c1CCCC2	0.0	0.0
Compound_98	CCOC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(Cl)cc(n1)OC	0.09	0.0
Compound_99	COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1Cl	0.05	0.0
Compound_100	CCC(NCC(c1cc(Cl)c(c(c1)Cl)N)O)(C)C	0.04	0.0
Compound_101	CCC(=O)O[C@@]1([C@@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)C(=O)CCl	0.04	0.0
Compound_102	C#CCOC(=O)[C@H](Oc1ccc(cc1)Oc1ncc(cc1F)Cl)C	0.74	1.0
Compound_103	CCCCCC(OC(=O)COc1ccc(c2c1nccc2)Cl)C	0.83	1.0
Compound_104	OC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)c1c(C)onc1c1ccccc1Cl	0.0	0.0
Compound_105	CCOP(=S)(c1ccccc1)Oc1ccc(cc1)C#N	0.99	1.0
Compound_106	CCON=C(C1=C(O)CC(CC1=O)C1CCCSC1)CCC	0.22	0.0
Compound_107	CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1	0.94	1.0
Compound_108	Cc1nc(Nc2ccccc2)nc(c1)C1CC1	0.96	1.0
Compound_109	CCSCCSP(=O)(OC)OC	0.17	0.0
Compound_110	OC[C@@]12[C@@H](C=C(C(=O)[C@H]1O)C)O[C@H]1[C@]3([C@]2(C)C[C@H]1O)CO3	0.85	1.0
Compound_111	CNc1nc(NC(C)C)nc(n1)SC	0.08	0.0
Compound_112	O=C1C=C[C@]2(C(=C1)CC[C@@H]1[C@]2(F)[C@@H](O)C[C@]2([C@H]1C[C@@H]([C@]2(O)C(=O)C)C)C)C	0.22	0.0
Compound_113	CCOP(=S)(Oc1ccc(cc1Cl)Cl)OCC	0.98	1.0
Compound_114	CCN(C(=O)N1CCN(CC1)C)CC	0.0	0.0
Compound_115	CCNc1nc(NC(C(C)C)C)nc(n1)SC	0.93	1.0
Compound_116	Cc1ncc(n1C)N(=O)=O	0.52	1.0
Compound_117	CCCOC(=O)c1ccccc1C(=O)OCCC	0.24	0.0
Compound_118	CC[C@@H]([C@H]1O[C@@]2(C=C[C@@H]1C)O[C@@H]1C/C=C(\C)/[C@@H](O[C@H]3C[C@H](OC)[C@H]([C@@H](O3)C)O[C@H]3C[C@H](OC)[C@H]([C@@H](O3)C)NC)[C@@H](C)/C=C/C=C\3/[C@]4([C@H](C(=O)O[C@H](C2)C1)C=C(C)[C@H]([C@H]4OC3)O)O)C	0.19	0.0
Compound_119	CC[C@@H]([C@H]1O[C@@]2(C=C[C@@H]1C)O[C@@H]1C/C=C(\C)/[C@@H](O[C@H]3C[C@H](OC)[C@H]([C@@H](O3)C)O[C@H]3C[C@H](OC)[C@@H]([C@@H](O3)C)NC(=O)C)[C@@H](C)/C=C/C=C\3/[C@]4([C@H](C(=O)O[C@H](C2)C1)C=C(C)[C@H]([C@H]4OC3)O)O)C	0.1	0.0
Compound_120	CCSCc1ccccc1OC(=O)NC	0.45	0.0
Compound_121	CNC(=O)Oc1ccccc1CS(=O)(=O)CC	0.63	1.0
Compound_122	CNC(=O)Oc1ccccc1CS(=O)CC	0.17	0.0
Compound_123	CCOc1cc(ccc1C1COC(=N1)c1c(F)cccc1F)C(C)(C)C	0.08	0.0
Compound_124	CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C	0.96	1.0
Compound_125	Clc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O	0.99	1.0
Compound_126	N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl	0.94	1.0
Compound_127	CCOC(=O)C(Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C	0.95	1.0
Compound_128	COP(=O)(Oc1ccc(c(c1)C)S(=O)(=O)C)OC	0.92	1.0
Compound_129	N#Cc1c[nH]cc1c1cccc(c1Cl)Cl	0.98	1.0
Compound_130	N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C	0.98	1.0
Compound_131	CSc1ccc(cc1C)OP(=O)(OC)OC	0.91	1.0
Compound_132	COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1C(F)(F)F	0.42	0.0
Compound_133	Cn1cc(c2cccc(c2)C(F)(F)F)c(=O)c(c1)c1ccccc1	0.09	0.0
Compound_134	c1coc(c1)c1nc2c([nH]1)cccc2	0.55	1.0
Compound_135	CCCCC(C(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CC(CCCCC(CC(C(N)C)O)O)O)C)OC(=O)CC(C(=O)O)CC(=O)O)C	0.03	0.0
Compound_136	CCCCC(C(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CCCCCCC(CC(C(N)C)O)O)C)OC(=O)CC(C(=O)O)CC(=O)O)C	0.03	0.0
Compound_137	O=C1OC(CN1N=Cc1ccc(o1)N(=O)=O)CN1CCOCC1	0.02	0.0
Compound_138	CCCCOC(=O)N(SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C)C	0.78	1.0
Compound_139	CC(OC(=O)C(C)C)OC(=O)NCC1(CCCCC1)CC(=O)O	0.02	0.0
Compound_140	CCOCCOC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C	0.45	0.0
Compound_141	C[C@@H]1N(C(=O)NC2CCCCC2)C(=O)S[C@H]1c1ccc(cc1)Cl	0.86	1.0
Compound_142	OCc1ncc(n1C)N(=O)=O	0.32	0.0
Compound_143	CC(CC(=O)O[C@H]1C[C@@]2(COC(=O)C)[C@@H](C=C1C)O[C@H]1[C@@]3([C@]2(C)[C@H](O)[C@H]1O)CO3)C	0.59	1.0
Compound_144	FC(c1ccc(cc1)/C=C/C(=NN=C1NCC(CN1)(C)C)/C=C/c1ccc(cc1)C(F)(F)F)(F)F	0.04	0.0
Compound_145	O=N(=O)c1cnc(n1C)C(O)(C)C	0.28	0.0
Compound_146	OCC(NCC(c1cc(Cl)c(c(c1)Cl)N)O)(C)C	0.03	0.0
Compound_147	OCCn1c(CO)ncc1N(=O)=O	0.13	0.0
Compound_148	CCOP(=S)(Oc1ccccc1C(=O)OC(C)C)NC(C)C	0.99	1.0
Compound_149	COC1CC(OC2C(C)C=CC=C3COC4C3(O)C(C=C(C4O)C)C(=O)OC3CC(CC=C2C)OC2(C3)CCC(C(O2)C(CC)C)C)OC(C1OC1CC(OC)C(C(O1)C)O)C	0.2	0.0
Compound_150	O=CC[C@H]1C[C@@H](C)[C@@H](O)/C=C/C=C/C[C@H](OC(=O)C[C@H]([C@@H]([C@H]1O[C@@H]1O[C@H](C)[C@H]([C@@H]([C@H]1O)N(C)C)O[C@@H]1O[C@@H](C)[C@@H]([C@](C1)(C)O)OC(=O)CC(C)C)OC)OC(=O)C)C	0.01	0.0
Compound_151	COC1CC(OC(C1OC)C)OC1CC(OC1C1(C)CCC(O1)C1(C)CCC2(O1)CC(O)C(C(O2)C(C1OC(O)(CC(=O)O)C(C(C1OC)OC)C)C)C)C1OC(C)(O)C(CC1C)C	0.05	0.0
Compound_152	CN(c1ccc(cc1)C(c1ccc(cc1)N(C)C)(c1ccccc1)O)C	0.98	1.0
Compound_153	CCC(NCC(c1cc(Cl)c(c(c1)C(F)(F)F)N)O)(C)C	0.06	0.0
Compound_154	O=C(N(c1ccccc1)C)COc1nc2c(s1)cccc2	0.94	1.0
Compound_155	COC(=O)/C(=C/OP(=S)(OC)OC)/C	0.59	1.0
Compound_156	CNC(C(=O)c1ccccc1)C	0.09	0.0
Compound_157	CO[C@H]([C@@H]([C@H]1O[C@@]2(CC[C@@](O2)(C)[C@H]2CC[C@@](O2)(CC)[C@@H]2O[C@H](C[C@@H]2C)[C@H]2O[C@@](O)(CO)[C@@H](C[C@@H]2C)C)C[C@@H]([C@H]1C)O)C)[C@@H](C(=O)O)C	0.05	0.0
Compound_158	CO/N=C\1/C[C@]2(C[C@@H]3C[C@H](O2)C/C=C(\C)/C[C@@H](C)C=C/C=C\2/[C@]4([C@H](C(=O)O3)C=C(C)[C@H]([C@H]4OC2)O)O)O[C@@H]([C@H]1C)/C(=C/C(C)C)/C	0.13	0.0
Compound_159	COc1c(N2C[C@@H]3[C@H](C2)CCCN3)c(F)cc2c1n(cc(c2=O)C(=O)O)C1CC1	0.0	0.0
Compound_160	CC[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12	0.18	0.0
Compound_161	CC[C@H]([C@H]1O[C@]2(C=C[C@H]([C@@]3(O2)CC[C@@](O3)(C)[C@H]2CC[C@]([C@@H](O2)C)(O)CC)O)[C@@H](C[C@@H]1C)C)C(=O)[C@H]([C@H]([C@@H]([C@@H]1O[C@H]([C@H](C[C@@H]1C)C)[C@H](C(=O)O)CC)C)O)C	0.01	0.0
Compound_162	CCN(/C(=C/N(=O)=O)/NC)Cc1ccc(nc1)Cl	0.04	0.0
Compound_163	NC(=O)N/N=C/c1ccc(o1)N(=O)=O	0.29	0.0
Compound_164	CCCCCc1cc(O)c2c(c1)OC([C@H]1[C@H]2C=C(C)[C@@H](C1)O)(C)C	0.24	0.0
Compound_165	CN([C@@H]1C(=C(C(=O)N)C(=O)[C@@]2([C@H]1[C@@H](O)[C@H]1C(=C2O)C(=O)c2c([C@@]1(C)O)cccc2O)O)O)C	0.19	0.0
Compound_166	CCOP(=S)(ON=C(c1ccccc1)C#N)OCC	0.78	1.0
Compound_167	CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C	0.01	0.0
Compound_168	CCN(CCOC(=O)c1ccc(cc1)N)CC	0.04	0.0
Compound_169	CCOC(=O)C(Oc1cccc(c1)Oc1cnc2c(n1)ccc(c2)Cl)C	0.82	1.0
Compound_170	CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)N(=O)=O	0.25	0.0
Compound_171	CC(CC(=O)O[C@H]1C[C@@]2(COC(=O)C)[C@@H](C=C1C)O[C@H]1[C@]3([C@]2(C)[C@H](OC(=O)C)[C@H]1O)CO3)C	0.47	0.0
Compound_172	CCc1nn(c(c1Cl)C(=O)NCc1ccc(cc1)C(C)(C)C)C	0.58	1.0
Compound_173	COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC	0.98	1.0
Compound_174	Cc1ccc(cc1)N(S(=O)(=O)N(C)C)SC(Cl)(Cl)F	0.92	1.0
Compound_175	CCCSC(=O)N(CCC)CCC	0.98	1.0
Compound_176	OC1CCCCCc2cc(O)cc(c2C(=O)OC(CCC1)C)O	0.96	1.0
Compound_177	CC(c1n[nH]c(=O)n(c1=O)N)(C)C	0.07	0.0
Compound_178	CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C	0.0	0.0
Compound_179	OC(COc1cccc2c1cccc2)CNC(C)C	0.0	0.0
Compound_180	COCCc1ccc(cc1)OCC(CNC(C)C)O	0.0	0.0
Compound_181	Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1	0.01	0.0
Compound_182	Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C	0.02	0.0
Compound_183	COc1nc(OC)nc(c1)NS(=O)(=O)c1ccc(cc1)N	0.02	0.0
Compound_184	Nc1ccc(cc1)S(=O)(=O)Nc1nccs1	0.88	1.0
Compound_185	O=CCC1CC(C)C(=O)C=CC(=CC(C(OC(=O)CC(C(C1OC1OC(C)C(C(C1O)N(C)C)OC1OC(C)C(C(C1)(C)O)O)C)O)CC)COC1OC(C)C(C(C1OC)OC)O)C	0.02	0.0
Compound_186	CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O	0.89	1.0
Compound_187	CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)C(C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](CN([C@@H]([C@H]([C@]1(C)O)O)C)C)C)(C)O	0.01	0.0
Compound_188	COCCOCO/N=C/1\[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]1C)O)(C)O)CC)C	0.01	0.0
Compound_189	NC(=O)N1c2ccccc2C=Cc2c1cccc2	0.01	0.0
Compound_190	CCC1(C(=O)NCNC1=O)c1ccccc1	0.09	0.0
Compound_191	CNC(=CN(=O)=O)NCCSCc1ccc(o1)CN(C)C	0.02	0.0
Compound_192	OCCn1c(C)ncc1N(=O)=O	0.02	0.0
Compound_193	COc1cc(Cc2cnc(nc2N)N)cc(c1OC)OC	0.06	0.0
Compound_194	OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl	0.01	0.0
Compound_195	COc1ccc2c(c1)ccc(c2)C(C(=O)O)C	0.33	0.0
Compound_196	CC(Cc1ccc(cc1)C(C(=O)O)C)C	0.86	1.0
Compound_197	OC(=O)C(Oc1ccc(cc1)Cl)(C)C	0.04	0.0
Compound_198	OC(=O)C(c1cccc(c1)C(=O)c1ccccc1)C	0.01	0.0
Compound_199	COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C	0.04	0.0
Compound_200	OC(=O)c1ccccc1Nc1cccc(c1C)C	0.01	0.0