smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COC(OC)[C@@H]1O[C@@H](CN=[N+]=[N-])[C@H](n2cc(C)c(O)nc2=O)[C@H]1O 585139030 YDCDJYVMXCQQTH-AXTSPUMRSA-N 341.324 -0.144 10 30 EBCC CC(=O)N[C@H]1[C@H](Oc2ccc(N)cc2)S[C@H](CO)[C@@H](O)[C@@H]1O 223528136 JCLORNFXQODUNL-DHGKCCLASA-N 328.390 -0.692 10 30 EBCC