smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
C[C@H](C(=O)NNS(=O)(=O)c1cccc(C(F)(F)F)c1)n1nnc(N2CCOCC2)n1	1044885	YSIGSSMPMYZKTG-SNVBAGLBSA-N	449.415	0.099	50	30	ICGC	
O=C(Cn1nnc(N2CCOCC2)n1)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1	2144733	WSRADJCXYWWXBM-YBFXNURJSA-N	426.393	0.828	50	30	ICGC	
CCCCC[C@@H]1CN[C@@H](C(=O)N[C@@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)C1	254133141	UFFIWDQGZCWMIU-QJRLSEIZSA-N	439.018	0.828	50	30	ICGC	
CCCCC[C@@H]1CN[C@@H](C(=O)N[C@H]([C@@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)C1	72266830	UFFIWDQGZCWMIU-PQICVDRQSA-N	439.018	0.828	50	30	ICGC	in-man
CCCCC[C@@H]1CN[C@@H](C(=O)N[C@@H]([C@@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)C1	4213874	UFFIWDQGZCWMIU-NJIPNMNOSA-N	439.018	0.828	50	30	ICGC	in-man
CC1(C)C[C@@H](C(=O)NCCOCCNC(=O)CI)C(C)(C)N1[O]	100406602	WQKCURCBTGXMTL-NSHDSACASA-N	440.302	0.895	50	30	ICGC	
C[C@@H](C(=O)NNS(=O)(=O)c1cccc(C(F)(F)F)c1)n1nnc(N2CCOCC2)n1	1044884	YSIGSSMPMYZKTG-JTQLQIEISA-N	449.415	0.099	50	30	ICGC	
C[C@@H](C(=O)OOC(=O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O)c1cccc(Cc2ccccc2)c1	299754640	DBJHXQXZLINLEA-LVEHSUOCSA-N	432.425	0.182	50	30	ICGC	
C[C@@H](C(=O)OOC(=O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O)c1cccc(Cc2ccccc2)c1	299754639	DBJHXQXZLINLEA-ASGNWRKFSA-N	432.425	0.182	50	30	ICGC	
CC(C)(O)C(C)(C)OB(OC(C)(C)C(C)(C)O)c1cc(Br)cc(B(O)O)c1	604934425	RYBQEAIISPOXLJ-UHFFFAOYSA-N	444.968	0.956	50	30	ICGC	
O=C(Cn1nnc(N2CCOCC2)n1)NNC(=S)Nc1cccc(C(F)(F)F)c1	1044466	WOYDZSUGAHIPCM-UHFFFAOYSA-N	430.416	0.546	50	30	ICGC	
CC1(C)C[C@H](C(=O)NCCOCCNC(=O)CI)C(C)(C)N1[O]	100406599	WQKCURCBTGXMTL-LLVKDONJSA-N	440.302	0.895	50	30	ICGC	
C[C@H](C(=O)OOC(=O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O)c1cccc(Cc2ccccc2)c1	299754641	DBJHXQXZLINLEA-QGISBFJLSA-N	432.425	0.182	50	30	ICGC	
COC(=O)c1ccc(S(=O)(=O)NNC(=O)c2c(O)c3sccc3[nH]c2=O)n1C	12340411	UKYKMUVMHMNWKL-UHFFFAOYSA-N	426.432	0.044	50	30	ICGC	
C[C@H](C(=O)OOC(=O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O)c1cccc(Cc2ccccc2)c1	299754642	DBJHXQXZLINLEA-QMOXGOJMSA-N	432.425	0.182	50	30	ICGC	
CSS(=O)(=O)CCN(CCS(=O)(=O)SC)CCS(=O)(=O)SC	604970760	GERSRHLBSJOUIU-UHFFFAOYSA-N	431.670	0.367	50	30	ICGC	
CS(=O)(=O)NNC(=O)Cn1nnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1	1044759	POBILICAHSYVJZ-UHFFFAOYSA-N	432.306	0.958	50	30	ICGC