smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCCCCC[C@H]1OC(=O)CNC(=O)[C@H]([C@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@H](C)CC)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H]1C 161397404 VFGBXFZXJAWPOE-PEOIOWGVSA-N 655.834 0.381 70 50 KCIA