smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN[C@H]1c2c([O-])c3c(cc2OCCC1=O)C(=O)c1cc(OC)c(O)c(C(O)O)c1C3=O ZINC000103524242 291312018 /nfs/dbraw/zinc/31/20/18/291312018.db2.gz CMFIPQMHAFHEGB-MRXNPFEDSA-N -1 1 429.381 0.960 1 10 biogenic,in-vitro ICCFMM