Index	SMILES	Probability	Label
Compound_1	CC(=O)Nc1ccc(c2c1c(O)c(N=Nc1ccc(c3c1cc(cc3)S(=O)(=O)O)N=Nc1ccc(cc1)S(=O)(=O)O)c(c2)S(=O)(=O)O)S(=O)(=O)O	0.9	1.0
Compound_2	Oc1ccc2c(c1N=Nc1ccccc1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O	0.99	1.0
Compound_3	Oc1ccc2c(c1N=Nc1ccc(cc1)S(=O)(=O)O)cccc2	0.99	1.0
Compound_4	Oc1c(N=Nc2ccc(c3c2cccc3)S(=O)(=O)O)cc(c2c1cccc2)S(=O)(=O)O	0.98	1.0
Compound_5	Oc1ccc2c(c1N=Nc1ccc(c3c1cccc3)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O	0.99	1.0
Compound_6	Oc1ccc2c(c1N=Nc1ccc(cc1)N=Nc1ccccc1)cccc2	0.79	1.0
Compound_7	Oc1c(N=Nc2ccc(c3c2cccc3)S(=O)(=O)O)c2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O	0.98	1.0
Compound_8	OC(=O)c1cc2ccccc2c(c1O)N=Nc1ccccc1	0.17	0.0
Compound_9	Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccccc1)S(=O)(=O)O	0.98	1.0
Compound_10	OC(=O)c1cc2ccccc2c(c1O)N=Nc1ccc2c(c1S(=O)(=O)O)cccc2	0.92	1.0
Compound_11	Clc1cc(ccc1N=Nc1c(O)ccc2c1cccc2)N(=O)=O	0.99	1.0
Compound_12	OCCN(c1ccc(cc1)N=Nc1ccccc1C(=O)O)CCO	0.02	0.0
Compound_13	Cc1cc(C)c(cc1N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O)S(=O)(=O)O	0.94	1.0
Compound_14	COc1cc(c(cc1N=Nc1c(O)ccc2c1ccc(c2)S(=O)(=O)O)C)S(=O)(=O)O	0.98	1.0
Compound_15	Cc1ccc(c(c1)S(=O)(=O)O)N=Nc1c(O)c(cc2c1cccc2)C(=O)O	0.62	1.0
Compound_16	COc1ccc(c(c1)N=Nc1c(O)ccc2c1cccc2)OC	0.4	0.0
Compound_17	Oc1ccc2c(c1N=Nc1ccccc1)cccc2	0.63	1.0
Compound_18	CC1=NN(C(=O)C1N=Nc1ccc(cc1)S(=O)(=O)O)c1cc(Cl)c(cc1Cl)S(=O)(=O)O	0.83	1.0
Compound_19	CN(c1ccc(cc1)N=Nc1ccccc1)C	0.72	1.0
Compound_20	Oc1ccc2c(c1N=Nc1ccc(cc1)S(=O)(=O)O)ccc(c2)S(=O)(=O)O	0.99	1.0