Index	SMILES	Probability	Label
Compound_1	OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)N(Cc1cnc2c(n1)c(N)nc(n2)N)C	0.0	0.0
Compound_2	OC(=O)CCC(C(=O)O)N	0.01	0.0
Compound_3	Nc1nc2nccnc2c(n1)N	0.86	1.0
Compound_4	O=Cc1cnc2c(n1)c(N)nc(n2)N	0.57	1.0
Compound_5	OCc1cnc2c(n1)c(N)nc(n2)N	0.5	0.0
Compound_6	Nc1nc(N)c2c(n1)ncc(n2)C(=O)O	0.26	0.0
Compound_7	OCc1nc2c(N)nc(nc2nc1O)N	0.3	0.0
Compound_8	CNc1ccc(cc1)C(=O)NC(C(=O)O)CCC(=O)O	0.01	0.0
Compound_9	OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(N)nc(n2)N	0.01	0.0
Compound_10	OC(=O)CCC(C(=O)O)NC(=O)c1ccc(c(c1)O)N(Cc1cnc2c(n1)c(N)nc(n2)N)C	0.0	0.0
Compound_11	OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1O)N(Cc1cnc2c(n1)c(N)nc(n2)N)C	0.0	0.0
Compound_12	NC(Cc1cc(F)c(cc1F)F)CC(=O)N1CCn2c(C1)nnc2C(F)(F)F	0.04	0.0
Compound_13	FC(c1nnc2n1CCNC2)(F)F	0.03	0.0
Compound_14	O=CN1CCn2c(C1)nnc2C(F)(F)F	0.01	0.0
Compound_15	NC(CC(=O)O)Cc1cc(F)c(cc1F)F	0.03	0.0
Compound_16	OCc1cc(ccc1O)C(CNC(C)(C)C)O	0.01	0.0
Compound_17	O=Cc1ccccc1O	0.97	1.0
Compound_18	OC(=O)CNC(C)(C)C	0.01	0.0
Compound_19	O=Cc1cc(ccc1O)C(=O)O	0.24	0.0
Compound_20	O=C(c1ccc(c(c1)O)O)CNC(C)(C)C	0.05	0.0
Compound_21	OCc1cc(ccc1O)C(=O)CNC(C)(C)C	0.01	0.0