smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C1CC[C@H]2[C@@H]3CCc4cc(OC(=O)O)ccc4[C@H]3CC[C@]12C ZINC000064417117 184296575 /nfs/dbraw/zinc/29/65/75/184296575.db2.gz JBELVCUHTJMCEE-FTEYMNFISA-N 0 2 312.409 5.156 1 30 DKEFLN