smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(=O)N[C@H]1[C@H](Sc2ccc([N+](=O)[O-])cc2)O[C@H](CO)[C@@H](O)[C@@H]1O 13515325 XXHJAPWYKMBYHF-KSTCHIGDSA-N 358.372 -0.369 5 30 FBBC COC(=O)[C@]1(O)[C@@H](O)[C@H](O)C=C[C@H]1OC(=O)c1ccc([N+](=O)[O-])cc1 2265351899 MPTOCOOTQHRAIE-MCYUEQNJSA-N 353.283 -0.684 5 30 FBBC