Index	SMILES	Probability	Label
Compound_1	CN(/C(=N/C(=N)N)/N)C	0.03	0.0
Compound_2	Cl/N=C(/NC(=N)N(C)C)\N	0.12	0.0
Compound_3	ClNC(=N)/N=C(/N(C)C)\N	0.16	0.0
Compound_4	Cl/N=C(/N(C(=N)N(C)C)Cl)\N	0.15	0.0
Compound_5	ClN/C(=N\Cl)/NC(=N)N(C)C	0.12	0.0
Compound_6	Cl/N=c\1/[nH]c(nn1Cl)N(C)C	0.3	0.0
Compound_7	Cl/N=c/1\[nH]nc(n1Cl)N(C)C	0.31	0.0
Compound_8	ClN/C(=N\Cl)/N(C(=N)N(C)C)Cl	0.14	0.0
Compound_9	Cl/N=C/1\N=NC(=N1)N(C)C	0.43	0.0
Compound_10	CN(/C(=N/C#N)/Cl)C	0.74	1.0
Compound_11	ClNC(=N)NC(=O)N(C)C	0.44	0.0
Compound_12	ClNC(=O)NC(=O)N(C)C	0.19	0.0
Compound_13	Cl/N=C/N=C(/N(C)C)\NCl	0.45	0.0
Compound_14	CNC(=N)N/C(=N/Cl)/NCl	0.17	0.0
Compound_15	NC(=N)NC(=N)N(CCN(C1=NC(=N)N=N1)C)C	0.03	0.0
Compound_16	NC(=N)NC(=N)N(/C=C/N(C1=NC(=N)N=N1)C)C	0.08	0.0
Compound_17	CN(C(=N)NC=N)/C=C/N(c1ncn[nH]1)C	0.08	0.0
Compound_18	Cl/N=C/1\N=NC(=N1)N(C=CN(C(=N)NC(=N)N)C)C	0.1	0.0
Compound_19	CN(C(=O)NC=N)CCN(c1ncn[nH]1)C	0.05	0.0
Compound_20	CN(C(=O)N/C=N/Cl)CCN(c1ncn[nH]1)C	0.06	0.0
Compound_21	CN(CC(=N)/N=C(/N(C)C)\N)C#N	0.06	0.0
Compound_22	N#CN(C/C(=N/Cl)/N=C(/N(C)C)\N)C	0.35	0.0
Compound_23	Cl/N=C(\NC(=O)N(C)C)/CN(C#N)C	0.17	0.0
Compound_24	Cl/N=C(/N(C(=O)N(C)C)NC1=NC(=N)N(C1)C)\N	0.04	0.0
Compound_25	Cl/N=C(/N(C(=N)N(C)C)NC1=NC(=N)NC1)\N	0.07	0.0
Compound_26	ClN/C(=N\Cl)/N(C(=O)N(C)C)N(C1=NC(=N)N(C1)C)Cl	0.11	0.0
Compound_27	Cl/N=C(\N(C)C)/Nc1n[nH]nn1	0.26	0.0
Compound_28	Cl/N=C(\N(C)C)/N=C/1\N=NN=N1	0.5	0.0
Compound_29	N=CN(N/C(=N\Cl)/NC(=O)N(C)C)C	0.42	0.0
Compound_30	Cl/N=C(/N=C(/N(CNC1=NC(=N)/C(=N\Cl)/N=C1N)C)\N)\N	0.03	0.0