smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCc1ccc([O-])c(Cl)c1 ZINC000001621145 187926186 /nfs/dbraw/zinc/92/61/86/187926186.db2.gz WLHBVLZZOJGNGQ-UHFFFAOYSA-N -1 3 240.774 4.949 40 30 BJEBHM CC(C)/C(=N/[O-])c1ccc(C2CCCCC2)cc1 ZINC000005380210 356363786 /nfs/dbraw/zinc/36/37/86/356363786.db2.gz IJUSZJQRHYHJSJ-MSUUIHNZSA-N -1 3 245.366 4.569 40 30 BJEBHM