smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC[N@@H+](C)C[C@@H]1OC[C@H]([NH2+]Cc2ccccc2O)[C@H]1O ZINC000514289105 257216090 /nfs/dbraw/zinc/21/60/90/257216090.db2.gz OVNBSGAWBBHKFS-BHYGNILZSA-N 2 1 308.422 1.342 40 10 biogenic,in-vitro DDCBMP