smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)CCO3)[C@@H]2CS(=O)(=O)C[C@@H]21 216967767 VKABESXMIZZDNJ-KGLIPLIRSA-N 400.478 -0.496 70 50 HBIA