smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]C[C@H](O)C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000217386962 372866931 /nfs/dbraw/zinc/86/69/31/372866931.db2.gz ZZFPBRBQJJWPDK-TUAOUCFPSA-N 2 1 263.341 -0.413 40 70 CBIBMP