smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1cc(-n2ncc(=O)[nH]c2=O)cc(C)c1S(=O)(=O)Cl 43322208 ZTRISKAOJOASNP-UHFFFAOYSA-N 315.738 0.465 70 1 DCIF COc1ccc2nnn(OC(=O)c3cc(O)c(O)c(O)c3)c2c1 64573353 ZPZNXPLDNJRMQQ-UHFFFAOYSA-N 317.257 0.826 70 1 DCIF CC(C)NC(=O)c1cn(C)nc1OS(=O)(=O)C(F)(F)F 103174662 NGWSCCOXVHMQAT-UHFFFAOYSA-N 315.273 0.787 70 1 DCIF NS(=O)(=O)c1ccc(COS(=O)(=O)C(F)(F)F)cc1 34718073 CZLAZDVJBZDDDP-UHFFFAOYSA-N 319.282 0.700 70 1 DCIF