smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)=CCC/C(C)=C/Cc1c(O)ccc2c(=O)c3ccc(O)c(O)c3oc21 ZINC000095913744 291144520 /nfs/dbraw/zinc/14/45/20/291144520.db2.gz IZCZDNUWRCMXGX-VGOFMYFVSA-N 0 2 380.440 5.298 1 10 biogenic,in-vitro GKCFLN