smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc2oc3cc([O-])c4c(c3c([O-])c-2c(=O)c1CC=C(C)C)C=CC(C)(C)O4 ZINC000015252163 291295133 /nfs/dbraw/zinc/29/51/33/291295133.db2.gz SDRFUMALSDZIDC-UHFFFAOYSA-N -2 1 408.450 5.059 1 5 biogenic,in-vitro HKBFML