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/Cc1ccc([O-])c(C(=O)c2c([O-])cc(C(=O)[O-])cc2C=O)c1[O-] ZINC000031168215 291387837 /nfs/dbraw/zinc/38/78/37/291387837.db2.gz MLSVKXQHUTYXHD-VIZOYTHASA-N -4 3 438.476 4.780 10 0 biogenic IJAEHL