smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1c(O)cc2c(=O)oc3c(O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)c(C)cc4c(=O)oc1c2c43 ZINC000095485958 291313201 /nfs/dbraw/zinc/31/32/01/291313201.db2.gz MNGJSNIYVSMAHY-TWAQLQNUSA-N 0 2 446.364 0.331 1 5 biogenic,in-vitro ICBFLN