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	0.44	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	0.06	0.0
Compound_19	O=C(Nc1cccc(c1)C1=NCCN1)Nc1cccc(c1)C1=NCCN1	0.03	0.0