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/CCc1cc2c3oc4cc(O)ccc4c3c(=O)oc2cc1[O-] ZINC000033833423 291283894 /nfs/dbraw/zinc/28/38/94/291283894.db2.gz QZJYZYBNDHQCSP-LZYBPNLTSA-N -1 0 418.489 6.729 1 5 biogenic,in-vitro HKBFRM