smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC1(C)O[C@@H]2CO[C@@]3(CI)OC(C)(C)O[C@H]3[C@@H]2O1 142121755 NDYXHCTYLFPSBA-XBWDGYHZSA-N 370.183 1.820 70 30 FDIC CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)O[C@@H]2CS(=O)(=O)Cl 1535647241 GMEYLEYEBINNII-SNVBAGLBSA-N 367.851 1.888 70 30 FDIC CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)O[C@H]2CS(=O)(=O)Cl 1535647240 GMEYLEYEBINNII-JTQLQIEISA-N 367.851 1.888 70 30 FDIC C[Si](C)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F 195902221 KDIVFKYGCLMDDJ-UHFFFAOYSA-N 356.294 1.421 70 30 FDIC CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)S(=O)(=O)F 2265383719 WLLVNWDQEAVONU-UHFFFAOYSA-N 356.416 1.704 70 30 FDIC